| 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 | 59.5 | Low | 87 | Confident | 188 Ų | 188 | 60.2 Ų | 60.2 | 93% | 0.926 | 29% | 0.287 | S | S | * | . | 0 | 128.7 | 0 | -74 | 168.8 | -158.4 | 0 | 0 | 108.4 | I366 T367 | M1-I366 WeakPolarHBondContact CA-O 3.49Å; M1-T367 HydrophobicContact CB-CG2 4.36Å; M1-T367 HydrophobicContact CE-CG2 4.3Å; M1-T367 HydrophobicContact CG-CG2 3.34Å | |||
| 2 | V | 74.6 | Confident | 87.6 | Confident | 88 Ų | 88 | 55.3 Ų | 55.3 | 53% | 0.533 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 133.6 | 173.5 | -179.1 | 0 | 0 | 0 | 0 | 107.6 | I366 | V2-I366 HydrophobicContact CB-CD1 4.16Å; V2-I366 HydrophobicContact CB-CG1 3.87Å; V2-I366 PolarHBondContact N-O 3.4Å; V2-I366 VanDerWaalsContact N-O 3.14Å; V2-I366 VanDerWaalsContact O-CG1 3.24Å; V2-I366 WeakPolarHBondContact O-CG1 3.32Å; V2-I366 PolarHBondContact O-N 2.92Å |
| 3 | R | 79.3 | Confident | 87.8 | Confident | 185 Ų | 185 | 58.9 Ų | 58.9 | 70% | 0.698 | 27% | 0.274 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 118.4 | 171.9 | -76.3 | -176.8 | 174.1 | 166.8 | -0.8 | 108.8 | N364 E365 | R3-N364 WeakPolarHBondContact CA-O 3.48Å; R3-E365 HydrophobicContact CG-CG 4.2Å; R3-E365 IonicContact CZ-OE1 2.64Å; R3-E365 VanDerWaalsContact CZ-OE1 3.29Å; R3-E365 IonicContact NE-OE1 3.93Å; R3-E365 PolarHBondContact NE-OE1 3.32Å; R3-E365 IonicContact NH2-OE1 2.79Å; R3-E365 PolarHBondContact NH2-OE1 3.21Å |
| 4 | Q | 84.4 | Confident | 87.6 | Confident | 50 Ų | 50 | 59.9 Ų | 59.9 | 23% | 0.234 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 133.1 | 179.9 | -175 | 169.2 | -0.9 | 0 | 0 | 109.9 | K363 N364 | Q4-K363 WeakPolarHBondContact O-CA 3.38Å; Q4-N364 PolarHBondContact N-O 3.4Å; Q4-N364 PolarHBondContact O-N 3.35Å |
| 5 | T | 88.6 | Confident | 87 | Confident | 64 Ų | 64 | 58.5 Ų | 58.5 | 39% | 0.393 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 145.9 | 171.3 | 49 | 0 | 0 | 0 | 0 | 110.3 | Q7 I362 K363 | T5-Q7 PolarHBondContact O-N 2.66Å; T5-I362 VanDerWaalsContact CA-O 3.31Å; T5-I362 WeakPolarHBondContact CA-O 3.44Å; T5-K363 HydrophobicContact CG2-CG 3.84Å |
| 6 | I | 93.3 | Very high | 86.1 | Confident | 2 Ų | 2 | 58.1 Ų | 58.1 | 1% | 0.01 | 30% | 0.296 | C | S | . | . | P | Polyproline II helix | trans | -61.3 | 128.7 | 175.2 | -60.1 | -177.6 | 0 | 0 | 0 | 109.4 | L327 T333 M335 V359 I362 | I6-L327 HydrophobicContact CD1-CD2 4.25Å; I6-T333 HydrophobicContact CD1-CG2 4.28Å; I6-T333 HydrophobicContact CG1-CG2 4.48Å; I6-T333 HydrophobicContact CG2-CG2 4.05Å; I6-T333 WeakPolarHBondContact CG2-O 3.39Å; I6-M335 HydrophobicContact CG2-CB 4.44Å; I6-V359 HydrophobicContact CB-CG1 4.09Å; I6-V359 HydrophobicContact CD1-CG1 3.9Å; I6-V359 HydrophobicContact CG2-CG1 3.63Å; I6-I362 HydrophobicContact CD1-CB 3.94Å; I6-I362 HydrophobicContact CD1-CG2 3.68Å; I6-I362 HydrophobicContact CG1-CB 4.36Å; I6-I362 HydrophobicContact CG1-CG2 4.22Å; I6-I362 PolarHBondContact N-O 3.22Å |
| 7 | Q | 94.3 | Very high | 85.2 | Confident | 46 Ų | 46 | 67.4 Ų | 67.4 | 22% | 0.215 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 131.3 | 177.1 | -65.3 | -178.1 | -57.6 | 0 | 0 | 109.6 | T5 Y9 D75 T333 S334 M335 | T5-Q7 PolarHBondContact O-N 2.66Å; Q7-Y9 HydrophobicContact CB-CD2 4.49Å; Q7-Y9 HydrophobicContact CB-CE2 3.63Å; Q7-D75 WeakPolarHBondContact CA-OD2 3.4Å; Q7-T333 PolarHBondContact N-O 2.87Å; Q7-S334 CarbonylContact O-C 3.55Å; Q7-S334 WeakPolarHBondContact O-CA 3.36Å; Q7-M335 PolarHBondContact O-N 2.78Å |
| 8 | I | 95.4 | Very high | 84.1 | Confident | 2 Ų | 2 | 74.6 Ų | 74.6 | 1% | 0.01 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 126 | -177.3 | 55.5 | 154.8 | 0 | 0 | 0 | 110.6 | Q73 F74 D75 M335 V359 A360 | I8-Q73 WeakPolarHBondContact CD1-O 3.29Å; I8-F74 HydrophobicContact CB-CD1 4.23Å; I8-F74 HydrophobicContact CD1-CD1 3.77Å; I8-F74 HydrophobicContact CD1-CE1 4.14Å; I8-F74 HydrophobicContact CD1-CG 4.42Å; I8-F74 HydrophobicContact CG1-CD1 4.15Å; I8-D75 PolarHBondContact N-OD2 3.32Å; I8-D75 WeakPolarHBondContact O-CB 3.35Å; I8-D75 PolarHBondContact O-N 3.45Å; I8-M335 HydrophobicContact CG2-CB 4.23Å; I8-M335 HydrophobicContact CG2-SD 4.3Å; I8-V359 HydrophobicContact CG2-CB 4.46Å; I8-V359 HydrophobicContact CG2-CG1 4.37Å; I8-A360 HydrophobicContact CD1-CB 3.63Å; I8-A360 HydrophobicContact CG1-CB 3.83Å; I8-A360 HydrophobicContact CG2-CB 4.04Å |
| 9 | Y | 96.5 | Very high | 83.7 | Confident | 13 Ų | 13 | 75.1 Ų | 75.1 | 5% | 0.051 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 141.9 | -179.8 | -58.6 | -92.4 | 0 | 0 | 0 | 109.4 | Q7 D75 A76 F78 D90 V91 M335 A337 | Q7-Y9 HydrophobicContact CB-CD2 4.49Å; Q7-Y9 HydrophobicContact CB-CE2 3.63Å; Y9-D75 HydrophobicContact CE1-CB 4.29Å; Y9-A76 WeakPolarHBondContact CA-O 3.4Å; Y9-A76 HydrophobicContact CD1-CB 3.72Å; Y9-A76 HydrophobicContact CE1-CB 4.05Å; Y9-F78 HydrophobicContact CD1-CE2 4.03Å; Y9-F78 HydrophobicContact CD1-CZ 4.12Å; Y9-F78 HydrophobicContact CG-CE2 4.3Å; Y9-D90 PolarHBondContact OH-O 2.71Å; Y9-V91 HydrophobicContact CD1-CG2 3.72Å; Y9-V91 HydrophobicContact CD2-CB 4.28Å; Y9-V91 HydrophobicContact CD2-CG1 3.74Å; Y9-V91 HydrophobicContact CD2-CG2 3.82Å; Y9-V91 HydrophobicContact CE1-CG2 4Å; Y9-V91 HydrophobicContact CE2-CB 4.24Å; Y9-V91 HydrophobicContact CE2-CG1 3.76Å; Y9-V91 HydrophobicContact CE2-CG2 4.12Å; Y9-V91 HydrophobicContact CG-CG1 4.38Å; Y9-V91 HydrophobicContact CG-CG2 3.6Å; Y9-M335 PolarHBondContact N-O 3.5Å; Y9-A337 PolarHBondContact O-N 3.03Å |
| 10 | L | 96.4 | Very high | 83.4 | Confident | 0 Ų | 0 | 78.5 Ų | 78.5 | 0% | 0 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 133.3 | 173.7 | -179.5 | 65.1 | 0 | 0 | 0 | 109.6 | L12 I49 F74 A76 I77 F78 A337 C339 | L10-L12 HydrophobicContact CD1-CD2 4.5Å; L10-L12 HydrophobicContact CD2-CD2 4.19Å; L10-L12 HydrophobicContact CG-CD2 4.28Å; L10-I49 HydrophobicContact CD2-CB 4.36Å; L10-I49 HydrophobicContact CD2-CD1 3.75Å; L10-I49 HydrophobicContact CD2-CG2 3.69Å; L10-F74 HydrophobicContact CB-CB 4.4Å; L10-F74 HydrophobicContact CB-CD1 3.77Å; L10-F74 HydrophobicContact CB-CD2 3.76Å; L10-F74 HydrophobicContact CB-CE1 3.89Å; L10-F74 HydrophobicContact CB-CE2 3.89Å; L10-F74 HydrophobicContact CB-CG 3.7Å; L10-F74 HydrophobicContact CB-CZ 3.96Å; L10-F74 HydrophobicContact CD1-CE1 4.44Å; L10-F74 HydrophobicContact CD1-CE2 4.41Å; L10-F74 HydrophobicContact CD1-CZ 4.07Å; L10-F74 HydrophobicContact CD2-CD2 4.04Å; L10-F74 HydrophobicContact CD2-CE2 3.7Å; L10-F74 HydrophobicContact CD2-CZ 4.19Å; L10-F74 HydrophobicContact CG-CD2 4.49Å; L10-F74 HydrophobicContact CG-CE2 4.23Å; L10-F74 HydrophobicContact CG-CZ 4.31Å; L10-A76 PolarHBondContact N-O 3.19Å; L10-I77 HydrophobicContact CB-CG1 4.33Å; L10-I77 HydrophobicContact CB-CG2 4.37Å; L10-I77 HydrophobicContact CD2-CG2 4.14Å; L10-I77 HydrophobicContact CG-CG2 4.49Å; L10-F78 WeakPolarHBondContact O-CD2 3.35Å; L10-F78 PolarHBondContact O-N 3.11Å; L10-A337 CarbonylContact C-O 3.59Å; L10-A337 WeakPolarHBondContact CA-O 3.44Å; L10-A337 HydrophobicContact CD1-CB 4.08Å; L10-C339 HydrophobicContact CD1-CB 4.07Å; L10-C339 VanDerWaalsContact CD1-SG 3.59Å |
| 11 | R | 95.2 | Very high | 83.4 | Confident | 24 Ų | 24 | 79.5 Ų | 79.5 | 9% | 0.091 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 124.3 | 171.5 | -172.1 | 178.5 | -171.8 | 172.5 | 10.4 | 110.7 | F78 T120 I336 A337 T338 C339 | R11-F78 HydrophobicContact CB-CB 4.37Å; R11-F78 HydrophobicContact CB-CD2 4.35Å; R11-F78 HydrophobicContact CG-CB 4.17Å; R11-T120 WeakPolarHBondContact CD-OG1 3.48Å; R11-T120 VanDerWaalsContact NH1-CB 3.33Å; R11-T120 PolarHBondContact NH1-OG1 3.16Å; R11-I336 HydrophobicContact CB-CG2 4.12Å; R11-A337 PolarHBondContact N-O 3.03Å; R11-T338 WeakPolarHBondContact O-CA 3.38Å; R11-C339 PolarHBondContact O-N 3.07Å |
| 12 | L | 94 | Very high | 84.5 | Confident | 2 Ų | 2 | 70.8 Ų | 70.8 | 1% | 0.01 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 126.4 | 177.6 | -60.3 | 180 | 0 | 0 | 0 | 110.7 | L10 Y24 I26 I49 F51 F78 C339 I341 | L10-L12 HydrophobicContact CD1-CD2 4.5Å; L10-L12 HydrophobicContact CD2-CD2 4.19Å; L10-L12 HydrophobicContact CG-CD2 4.28Å; L12-Y24 HydrophobicContact CD1-CD2 3.97Å; L12-Y24 HydrophobicContact CD1-CE2 3.45Å; L12-Y24 VanDerWaalsContact CD1-CE2 3.45Å; L12-I26 HydrophobicContact CD1-CD1 4.32Å; L12-I49 HydrophobicContact CD1-CD1 3.97Å; L12-I49 HydrophobicContact CD2-CD1 4.31Å; L12-F51 HydrophobicContact CD2-CZ 4.42Å; L12-F78 PolarHBondContact N-O 3.18Å; L12-C339 HydrophobicContact CD2-CB 4.07Å; L12-I341 HydrophobicContact CB-CD1 3.93Å; L12-I341 HydrophobicContact CB-CG1 4.02Å; L12-I341 HydrophobicContact CD2-CG1 4.45Å |
| 13 | R | 90.2 | Very high | 85 | Confident | 102 Ų | 102 | 72 Ų | 72 | 39% | 0.385 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 132.9 | 175.3 | -174.5 | -174.5 | 162.3 | 163.4 | 2.4 | 110.5 | S15 G114 S115 C339 I341 | R13-S15 PolarHBondContact O-N 3.28Å; R13-G114 WeakPolarHBondContact CD-O 3.22Å; R13-G114 PolarHBondContact NH1-O 3.09Å; R13-S115 WeakPolarHBondContact CB-O 3.45Å; R13-C339 PolarHBondContact N-O 3.02Å; R13-I341 WeakPolarHBondContact O-CD1 3.49Å; R13-I341 WeakPolarHBondContact O-CG1 3.44Å |
| 14 | P | 85.4 | Confident | 85.4 | Confident | 73 Ų | 73 | 66.5 Ų | 66.5 | 47% | 0.474 | 32% | 0.319 | S | S | . | . | P | Polyproline II helix | trans | -58.9 | 133.4 | 167.4 | -20.3 | 31.4 | 0 | 0 | 0 | 111.7 | T80 | P14-T80 HydrophobicContact CB-CG2 4.41Å; P14-T80 HydrophobicContact CG-CG2 4.4Å; P14-T80 WeakPolarHBondContact CG-O 3.29Å |
| 15 | S | 78.1 | Confident | 85.5 | Confident | 38 Ų | 38 | 68.7 Ų | 68.7 | 27% | 0.266 | 33% | 0.332 | S | S | . | . | P | Polyproline II helix | trans | -68.6 | 145.3 | 176.3 | -177.8 | 0 | 0 | 0 | 0 | 111.4 | R13 L21 | R13-S15 PolarHBondContact O-N 3.28Å; S15-L21 VanDerWaalsContact CB-CD2 3.43Å |
| 16 | A | 72.5 | Confident | 85.3 | Confident | 53 Ų | 53 | 66.7 Ų | 66.7 | 44% | 0.438 | 32% | 0.319 | S | S | . | . | P | Polyproline II helix | trans | -66.9 | 154.4 | 163.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | H18 | A16-H18 PolarHBondContact O-N 2.77Š|
| 17 | Y | 70.3 | Confident | 84.4 | Confident | 216 Ų | 216 | 69.5 Ų | 69.5 | 85% | 0.847 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.4 | 139.7 | 171.6 | -68.7 | -83.2 | 0 | 0 | 0 | 109.7 | ||
| 18 | H | 66.5 | Low | 82.9 | Confident | 196 Ų | 196 | 70.9 Ų | 70.9 | 91% | 0.907 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.8 | 8.3 | 174.1 | -48.5 | -74.5 | 0 | 0 | 0 | 119.5 | A16 | A16-H18 PolarHBondContact O-N 2.77Š|
| 19 | K | 75.1 | Confident | 81 | Confident | 84 Ų | 84 | 73.7 Ų | 73.7 | 37% | 0.365 | 36% | 0.357 | S | S | . | . | P | Polyproline II helix | trans | -103.9 | 146.6 | 174.9 | -72.3 | -173.1 | 168.4 | -145.8 | 0 | 113.7 | L21 E342 E344 | K19-L21 PolarHBondContact O-N 3.17Å; K19-E342 HydrophobicContact CB-CG 4.2Å; K19-E342 HydrophobicContact CD-CB 4.49Å; K19-E342 HydrophobicContact CD-CG 3.85Å; K19-E342 WeakPolarHBondContact CD-OE1 3.34Å; K19-E342 WeakPolarHBondContact CD-OE2 3.44Å; K19-E342 IonicContact NZ-OE2 3.93Å; K19-E342 PolarHBondContact NZ-OE2 3.42Å; K19-E344 IonicContact NZ-OE2 2.83Å; K19-E344 PolarHBondContact NZ-OE2 2.9Å |
| 20 | Q | 79 | Confident | 79 | Confident | 144 Ų | 144 | 74.4 Ų | 74.4 | 67% | 0.673 | 36% | 0.363 | S | S | * | . | P | Polyproline II helix | trans | -69.5 | 125.2 | 173.4 | -172 | 175.3 | 3.3 | 0 | 0 | 109.7 | Q343 | Q20-Q343 HydrophobicContact CB-CB 4.3Å; Q20-Q343 HydrophobicContact CG-CB 4.25Å; Q20-Q343 WeakPolarHBondContact O-CB 3.45Å; Q20-Q343 PolarHBondContact O-N 3.22Å |
| 21 | L | 83.4 | Confident | 76.9 | Confident | 99 Ų | 99 | 78.8 Ų | 78.8 | 52% | 0.518 | 38% | 0.384 | S | S | . | . | B | Isolated β-bridge | trans | -87.8 | 139 | 179.8 | -68.4 | 168.1 | 0 | 0 | 0 | 110.9 | S15 K19 I341 | S15-L21 VanDerWaalsContact CB-CD2 3.43Å; K19-L21 PolarHBondContact O-N 3.17Å; L21-I341 HydrophobicContact CD2-CB 4.24Å; L21-I341 HydrophobicContact CD2-CG2 3.98Å |
| 22 | S | 83.2 | Confident | 74.3 | Confident | 6 Ų | 6 | 85 Ų | 85 | 4% | 0.042 | 41% | 0.413 | C | S | . | . | P | Polyproline II helix | trans | -68.8 | 143.7 | 167.2 | -49.1 | 0 | 0 | 0 | 0 | 109.7 | I341 E342 Q343 | S22-I341 VanDerWaalsContact CB-O 3.24Å; S22-I341 WeakPolarHBondContact CB-O 3.25Å; S22-I341 PolarHBondContact N-O 3.3Å; S22-I341 PolarHBondContact OG-O 3.23Å; S22-E342 PolarHBondContact OG-O 2.81Å; S22-Q343 VanDerWaalsContact OG-CA 3.3Å; S22-Q343 WeakPolarHBondContact OG-CA 3.32Å; S22-Q343 PolarHBondContact OG-N 3.22Å; S22-Q343 PolarHBondContact OG-OE1 2.98Å |
| 23 | K | 84 | Confident | 71.7 | Confident | 112 Ų | 112 | 89.6 Ų | 89.6 | 49% | 0.487 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 126.4 | 169.6 | -68.8 | 179.7 | -172.1 | 177 | 0 | 109.5 | E52 T54 | K23-E52 HydrophobicContact CB-CB 3.95Å; K23-E52 HydrophobicContact CB-CG 4.45Å; K23-E52 VanDerWaalsContact CD-CD 3.43Å; K23-E52 HydrophobicContact CD-CG 4.45Å; K23-E52 WeakPolarHBondContact CD-OE1 3.45Å; K23-E52 VanDerWaalsContact CD-OE2 3.22Å; K23-E52 WeakPolarHBondContact CD-OE2 3.41Å; K23-E52 IonicContact NZ-OE1 2.89Å; K23-E52 PolarHBondContact NZ-OE1 3.48Å; K23-E52 IonicContact NZ-OE2 3.16Å; K23-E52 PolarHBondContact O-N 2.94Å; K23-T54 HydrophobicContact CD-CG2 4.23Å |
| 24 | Y | 87.3 | Confident | 69.4 | Low | 70 Ų | 70 | 93 Ų | 93 | 28% | 0.275 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 151.9 | 173.6 | 69.4 | -79.4 | 0 | 0 | 0 | 110.1 | L12 I26 I49 T50 D79 I341 | L12-Y24 HydrophobicContact CD1-CD2 3.97Å; L12-Y24 HydrophobicContact CD1-CE2 3.45Å; L12-Y24 VanDerWaalsContact CD1-CE2 3.45Å; Y24-I26 HydrophobicContact CD2-CD1 4.33Å; Y24-I26 HydrophobicContact CD2-CG1 4.14Å; Y24-I26 HydrophobicContact CE2-CD1 3.95Å; Y24-I26 HydrophobicContact CE2-CG1 4.25Å; Y24-I49 HydrophobicContact CD2-CD1 3.96Å; Y24-I49 HydrophobicContact CD2-CG1 4.45Å; Y24-T50 CarbonylContact C-O 3.55Å; Y24-T50 WeakPolarHBondContact CA-O 3.32Å; Y24-D79 PolarHBondContact OH-OD1 3.46Å; Y24-I341 HydrophobicContact CD1-CG2 3.61Å; Y24-I341 HydrophobicContact CE1-CD1 4.24Å; Y24-I341 HydrophobicContact CE1-CG1 4.48Å; Y24-I341 HydrophobicContact CE1-CG2 3.31Å |
| 25 | N | 86.6 | Confident | 67.3 | Low | 96 Ų | 96 | 98.1 Ų | 98.1 | 51% | 0.513 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 140.2 | 174.2 | -172.4 | 14.6 | 0 | 0 | 0 | 109.7 | I49 T50 | N25-I49 CarbonylContact O-C 3.6Å; N25-I49 WeakPolarHBondContact O-CA 3.34Å; N25-T50 PolarHBondContact N-O 3.14Å; N25-T50 PolarHBondContact O-N 3.09Å |
| 26 | I | 83.9 | Confident | 65.5 | Low | 23 Ų | 23 | 103.9 Ų | 103.9 | 12% | 0.118 | 49% | 0.489 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 107.8 | 176.1 | -59.7 | 170.3 | 0 | 0 | 0 | 107.5 | L12 Y24 D28 L29 K48 I49 I77 D79 | L12-I26 HydrophobicContact CD1-CD1 4.32Å; Y24-I26 HydrophobicContact CD2-CD1 4.33Å; Y24-I26 HydrophobicContact CD2-CG1 4.14Å; Y24-I26 HydrophobicContact CE2-CD1 3.95Å; Y24-I26 HydrophobicContact CE2-CG1 4.25Å; I26-D28 PolarHBondContact O-N 3.43Å; I26-L29 HydrophobicContact CB-CD2 4.29Å; I26-L29 HydrophobicContact CB-CG 4.49Å; I26-L29 HydrophobicContact CD1-CD2 3.96Å; I26-L29 HydrophobicContact CG2-CD2 3.88Å; I26-L29 HydrophobicContact CG2-CG 4.1Å; I26-K48 CarbonylContact C-O 3.55Å; I26-K48 WeakPolarHBondContact CA-O 3.43Å; I26-I49 HydrophobicContact CG1-CB 4.45Å; I26-I49 HydrophobicContact CG1-CD1 4.07Å; I26-I49 HydrophobicContact CG1-CG1 4.08Å; I26-I77 HydrophobicContact CD1-CG2 3.86Å; I26-I77 HydrophobicContact CG1-CG2 4.39Å; I26-I77 HydrophobicContact CG2-CD1 4.27Å; I26-I77 HydrophobicContact CG2-CG2 4.47Å; I26-D79 HydrophobicContact CD1-CB 4.36Å |
| 27 | D | 75.7 | Confident | 64 | Low | 60 Ų | 60 | 108 Ų | 108 | 32% | 0.321 | 50% | 0.499 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 116 | 170.4 | -52.2 | -36.5 | 0 | 0 | 0 | 107.1 | K48 | D27-K48 HydrophobicContact CB-CB 4.21Å; D27-K48 PolarHBondContact N-O 3.08Å; D27-K48 PolarHBondContact O-N 2.84Å; D27-K48 IonicContact OD2-NZ 3.34Å; D27-K48 PolarHBondContact OD2-NZ 2.87Å |
| 28 | D | 63 | Low | 62.4 | Low | 75 Ų | 75 | 107.4 Ų | 107.4 | 40% | 0.401 | 50% | 0.504 | S | S | . | . | S | Bend | trans | 59.8 | 95.4 | -172.8 | -68.3 | -40.5 | 0 | 0 | 0 | 114.4 | I26 Q33 P47 | I26-D28 PolarHBondContact O-N 3.43Å; D28-Q33 PolarHBondContact OD1-NE2 3.27Å; D28-P47 WeakPolarHBondContact O-CB 3.34Å |
| 29 | L | 55.8 | Low | 61 | Low | 61 Ų | 61 | 101.3 Ų | 101.3 | 32% | 0.319 | 49% | 0.494 | S | S | . | . | trans | -69.4 | 131 | 165.1 | -76.3 | 161 | 0 | 0 | 0 | 109.1 | I26 H31 H32 D79 | I26-L29 HydrophobicContact CB-CD2 4.29Å; I26-L29 HydrophobicContact CB-CG 4.49Å; I26-L29 HydrophobicContact CD1-CD2 3.96Å; I26-L29 HydrophobicContact CG2-CD2 3.88Å; I26-L29 HydrophobicContact CG2-CG 4.1Å; L29-H31 PolarHBondContact O-N 2.84Å; L29-H32 PolarHBondContact O-N 2.82Å; L29-D79 HydrophobicContact CD2-CB 4.47Å | ||
| 30 | T | 53.7 | Low | 59.3 | Low | 29 Ų | 29 | 104.4 Ų | 104.4 | 18% | 0.178 | 51% | 0.51 | C | S | . | . | H | α-helix | trans | -50.4 | -26.6 | 174.5 | -15.8 | 0 | 0 | 0 | 0 | 112.1 | Y34 A76 | T30-Y34 HydrophobicContact CG2-CD2 4.26Å; T30-Y34 HydrophobicContact CG2-CE2 3.99Å; T30-Y34 VanDerWaalsContact O-CD2 3.29Å; T30-Y34 WeakPolarHBondContact O-CD2 3.45Å; T30-A76 HydrophobicContact CG2-CB 4.09Å |
| 31 | H | 51.6 | Low | 57.4 | Low | 92 Ų | 92 | 110 Ų | 110 | 43% | 0.426 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -76.9 | -36.6 | -177.4 | -80.1 | -50.6 | 0 | 0 | 0 | 116.2 | L29 Q33 | L29-H31 PolarHBondContact O-N 2.84Å; H31-Q33 PolarHBondContact O-N 3.49Å |
| 32 | H | 42 | Very low | 55.3 | Low | 153 Ų | 153 | 112.2 Ų | 112.2 | 71% | 0.708 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -77.7 | -21.8 | -167.7 | -89.3 | -57.7 | 0 | 0 | 0 | 114.5 | L29 | L29-H32 PolarHBondContact O-N 2.82Å |
| 33 | Q | 39.3 | Very low | 53.6 | Low | 100 Ų | 100 | 121.1 Ų | 121.1 | 47% | 0.467 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -101.8 | -23.4 | -176.5 | -73.5 | 175.9 | 8 | 0 | 0 | 114.8 | D28 H31 Q35 Q36 | D28-Q33 PolarHBondContact OD1-NE2 3.27Å; H31-Q33 PolarHBondContact O-N 3.49Å; Q33-Q35 VanDerWaalsContact C-N 3.27Å; Q33-Q35 PolarHBondContact O-N 3.32Å; Q33-Q36 PolarHBondContact O-N 3.02Å |
| 34 | Y | 41.8 | Very low | 52.2 | Low | 172 Ų | 172 | 119.9 Ų | 119.9 | 68% | 0.675 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -68.2 | -23.2 | -177.6 | -92.6 | -83.1 | 0 | 0 | 0 | 114 | T30 | T30-Y34 HydrophobicContact CG2-CD2 4.26Å; T30-Y34 HydrophobicContact CG2-CE2 3.99Å; T30-Y34 VanDerWaalsContact O-CD2 3.29Å; T30-Y34 WeakPolarHBondContact O-CD2 3.45Å |
| 35 | Q | 41.1 | Very low | 51.4 | Low | 181 Ų | 181 | 124.7 Ų | 124.7 | 85% | 0.846 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.4 | -16.5 | 176.5 | -76.6 | -174.9 | 2 | 0 | 0 | 114.7 | Q33 | Q33-Q35 VanDerWaalsContact C-N 3.27Å; Q33-Q35 PolarHBondContact O-N 3.32Å |
| 36 | Q | 40.7 | Very low | 51.2 | Low | 159 Ų | 159 | 124.5 Ų | 124.5 | 74% | 0.743 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.8 | -13.6 | -171.8 | -68.9 | -151.2 | -0.1 | 0 | 0 | 116.5 | Q33 | Q33-Q36 PolarHBondContact O-N 3.02Š|
| 37 | H | 40.2 | Very low | 51.5 | Low | 140 Ų | 140 | 124 Ų | 124 | 65% | 0.648 | 59% | 0.594 | S | S | * | * | trans | -124 | 76.5 | -175.5 | -68.4 | -57.4 | 0 | 0 | 0 | 113.6 | G39 | H37-G39 PolarHBondContact O-N 3.01Š| ||
| 38 | Q | 37.5 | Very low | 52.2 | Low | 204 Ų | 204 | 123.6 Ų | 123.6 | 95% | 0.953 | 59% | 0.589 | S | S | * | * | S | Bend | trans | -73.7 | 10.2 | 167.3 | -72.6 | -169.8 | 2.3 | 0 | 0 | 114.4 | ||
| 39 | G | 36.8 | Very low | 53.5 | Low | 68 Ų | 68 | 120 Ų | 120 | 70% | 0.701 | 57% | 0.57 | S | S | * | * | S | Bend | trans | -121.3 | -17.5 | -163 | 0 | 0 | 0 | 0 | 0 | 118.6 | H37 | H37-G39 PolarHBondContact O-N 3.01Š|
| 40 | Q | 38.4 | Very low | 55.1 | Low | 149 Ų | 149 | 118 Ų | 118 | 70% | 0.696 | 56% | 0.56 | S | S | * | * | trans | -140.9 | 113.9 | -171.6 | -65.3 | -176.4 | 15.1 | 0 | 0 | 111.1 | Q42 | Q40-Q42 HydrophobicContact CB-CG 4.49Å; Q40-Q42 PolarHBondContact O-N 2.84Å | ||
| 41 | R | 39.2 | Very low | 56.8 | Low | 260 Ų | 260 | 116.7 Ų | 116.7 | 98% | 0.981 | 55% | 0.552 | S | S | * | * | trans | -69 | 60 | 167.7 | -69.8 | 179.8 | 171.5 | -169.4 | -1.9 | 110.2 | ||||
| 42 | Q | 40.2 | Very low | 58.3 | Low | 147 Ų | 147 | 115 Ų | 115 | 69% | 0.687 | 54% | 0.544 | S | S | * | . | trans | -65.6 | 134 | 158.2 | -68.6 | -176 | 23.8 | 0 | 0 | 106.1 | Q40 S44 | Q40-Q42 HydrophobicContact CB-CG 4.49Å; Q40-Q42 PolarHBondContact O-N 2.84Å; Q42-S44 VanDerWaalsContact C-N 3.3Å; Q42-S44 PolarHBondContact O-N 3.23Å | ||
| 43 | Q | 46 | Very low | 60 | Low | 192 Ų | 192 | 109 Ų | 109 | 90% | 0.897 | 52% | 0.519 | S | S | * | . | trans | -52.4 | 101 | 171.7 | -78.9 | 168.1 | -4.2 | 0 | 0 | 106.9 | K45 | Q43-K45 PolarHBondContact O-N 3.35Š| ||
| 44 | S | 55.6 | Low | 61.3 | Low | 86 Ų | 86 | 106.9 Ų | 106.9 | 60% | 0.601 | 51% | 0.514 | S | S | * | . | trans | -57.6 | 111.7 | -174.6 | -173.4 | 0 | 0 | 0 | 0 | 106.9 | Q42 K46 | Q42-S44 VanDerWaalsContact C-N 3.3Å; Q42-S44 PolarHBondContact O-N 3.23Å; S44-K46 PolarHBondContact O-N 3.46Å | ||
| 45 | K | 70.5 | Confident | 62.3 | Low | 171 Ų | 171 | 105.7 Ų | 105.7 | 74% | 0.743 | 51% | 0.508 | S | S | * | . | P | Polyproline II helix | trans | -62.2 | 131.3 | 177.5 | -77.7 | -178.7 | 179.5 | 173.8 | 0 | 106.6 | Q43 | Q43-K45 PolarHBondContact O-N 3.35Š|
| 46 | K | 83.3 | Confident | 63 | Low | 93 Ų | 93 | 103.4 Ų | 103.4 | 40% | 0.404 | 50% | 0.501 | S | S | . | . | P | Polyproline II helix | trans | -58.3 | 133.2 | 175.9 | -72.2 | -162.3 | -175.6 | -159.6 | 0 | 109.4 | S44 Q73 F74 D75 | S44-K46 PolarHBondContact O-N 3.46Å; K46-Q73 HydrophobicContact CB-CB 4.45Å; K46-F74 WeakPolarHBondContact CB-O 3.5Å; K46-D75 WeakPolarHBondContact CE-OD1 3.48Å; K46-D75 IonicContact NZ-OD1 2.74Å; K46-D75 PolarHBondContact NZ-OD1 3.3Å; K46-D75 IonicContact NZ-OD2 2.72Å |
| 47 | P | 89.5 | Confident | 63.7 | Low | 11 Ų | 11 | 101.3 Ų | 101.3 | 7% | 0.071 | 50% | 0.5 | C | S | . | . | P | Polyproline II helix | trans | -57.4 | 145.3 | 177.8 | 25.1 | -36.2 | 0 | 0 | 0 | 110.5 | D28 Q73 F74 I77 | D28-P47 WeakPolarHBondContact O-CB 3.34Å; P47-Q73 WeakPolarHBondContact O-CA 3.23Å; P47-F74 WeakPolarHBondContact CD-O 3.32Å; P47-F74 VanDerWaalsContact CG-O 3.32Å; P47-F74 WeakPolarHBondContact CG-O 3.41Å; P47-F74 PolarHBondContact O-N 3.41Å; P47-F74 VanDerWaalsContact O-N 3.09Å; P47-I77 HydrophobicContact CB-CD1 3.94Å; P47-I77 HydrophobicContact CB-CG1 4.08Å; P47-I77 HydrophobicContact CG-CD1 4.4Å; P47-I77 HydrophobicContact CG-CG1 4.09Å |
| 48 | K | 89.3 | Confident | 64.4 | Low | 53 Ų | 53 | 103.9 Ų | 103.9 | 23% | 0.23 | 51% | 0.512 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 133.2 | -172 | 179.4 | -174.6 | 162.9 | -109.7 | 0 | 110.1 | I26 D27 T50 N71 F72 Q73 | I26-K48 CarbonylContact C-O 3.55Å; I26-K48 WeakPolarHBondContact CA-O 3.43Å; D27-K48 HydrophobicContact CB-CB 4.21Å; D27-K48 PolarHBondContact N-O 3.08Å; D27-K48 PolarHBondContact O-N 2.84Å; D27-K48 IonicContact OD2-NZ 3.34Å; D27-K48 PolarHBondContact OD2-NZ 2.87Å; K48-T50 PolarHBondContact NZ-OG1 2.92Å; K48-N71 VanDerWaalsContact CE-CB 3.47Å; K48-N71 VanDerWaalsContact CE-CG 3.43Å; K48-N71 WeakPolarHBondContact CE-OD1 3.48Å; K48-N71 PolarHBondContact NZ-OD1 3.47Å; K48-F72 CarbonylContact C-O 3.56Å; K48-F72 VanDerWaalsContact CA-O 3.28Å; K48-F72 WeakPolarHBondContact CA-O 3.35Å; K48-F72 WeakPolarHBondContact CG-O 3.48Å; K48-Q73 HydrophobicContact CB-CG 4.15Å; K48-Q73 HydrophobicContact CG-CG 4.16Å |
| 49 | I | 91.2 | Very high | 65.2 | Low | 0 Ų | 0 | 102 Ų | 102 | 0% | 0 | 50% | 0.503 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 141.5 | 172.3 | -171.4 | 164 | 0 | 0 | 0 | 110.2 | L10 L12 Y24 N25 I26 F51 N71 F72 F74 I77 | L10-I49 HydrophobicContact CD2-CB 4.36Å; L10-I49 HydrophobicContact CD2-CD1 3.75Å; L10-I49 HydrophobicContact CD2-CG2 3.69Å; L12-I49 HydrophobicContact CD1-CD1 3.97Å; L12-I49 HydrophobicContact CD2-CD1 4.31Å; Y24-I49 HydrophobicContact CD2-CD1 3.96Å; Y24-I49 HydrophobicContact CD2-CG1 4.45Å; N25-I49 CarbonylContact O-C 3.6Å; N25-I49 WeakPolarHBondContact O-CA 3.34Å; I26-I49 HydrophobicContact CG1-CB 4.45Å; I26-I49 HydrophobicContact CG1-CD1 4.07Å; I26-I49 HydrophobicContact CG1-CG1 4.08Å; I49-F51 HydrophobicContact CD1-CE1 3.97Å; I49-F51 HydrophobicContact CD1-CE2 4Å; I49-F51 HydrophobicContact CD1-CZ 3.54Å; I49-F51 HydrophobicContact CG1-CD2 4.5Å; I49-F51 HydrophobicContact CG1-CE2 4.08Å; I49-F51 HydrophobicContact CG1-CZ 4.09Å; I49-F51 HydrophobicContact CG2-CE2 3.95Å; I49-N71 CarbonylContact O-C 2.95Å; I49-N71 WeakPolarHBondContact O-CA 3.25Å; I49-F72 HydrophobicContact CG2-CB 3.97Å; I49-F72 PolarHBondContact N-O 2.8Å; I49-F72 PolarHBondContact O-N 2.89Å; I49-F74 HydrophobicContact CG2-CD2 4.27Å; I49-F74 HydrophobicContact CG2-CE2 3.96Å; I49-I77 HydrophobicContact CB-CD1 3.94Å; I49-I77 HydrophobicContact CG2-CD1 4.25Å |
| 50 | T | 89.6 | Confident | 65.9 | Low | 17 Ų | 17 | 104.1 Ų | 104.1 | 10% | 0.104 | 50% | 0.498 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 119.5 | 175.9 | -50.8 | 0 | 0 | 0 | 0 | 108.8 | Y24 N25 K48 F69 Y70 N71 | Y24-T50 CarbonylContact C-O 3.55Å; Y24-T50 WeakPolarHBondContact CA-O 3.32Å; N25-T50 PolarHBondContact N-O 3.14Å; N25-T50 PolarHBondContact O-N 3.09Å; K48-T50 PolarHBondContact NZ-OG1 2.92Å; T50-F69 HydrophobicContact CG2-CB 4.05Å; T50-F69 HydrophobicContact CG2-CD1 4.03Å; T50-Y70 CarbonylContact C-O 3.58Å; T50-Y70 VanDerWaalsContact CA-O 3.3Å; T50-Y70 WeakPolarHBondContact CA-O 3.39Å; T50-N71 VanDerWaalsContact CG2-OD1 3.31Å; T50-N71 WeakPolarHBondContact CG2-OD1 3.34Å; T50-N71 PolarHBondContact OG1-OD1 3.27Å |
| 51 | F | 89.3 | Confident | 66.7 | Low | 2 Ų | 2 | 105.7 Ų | 105.7 | 1% | 0.009 | 51% | 0.511 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 130.2 | 170.8 | -64 | -81.2 | 0 | 0 | 0 | 110.2 | L12 I49 F69 Y70 F72 L346 T349 | L12-F51 HydrophobicContact CD2-CZ 4.42Å; I49-F51 HydrophobicContact CD1-CE1 3.97Å; I49-F51 HydrophobicContact CD1-CE2 4Å; I49-F51 HydrophobicContact CD1-CZ 3.54Å; I49-F51 HydrophobicContact CG1-CD2 4.5Å; I49-F51 HydrophobicContact CG1-CE2 4.08Å; I49-F51 HydrophobicContact CG1-CZ 4.09Å; I49-F51 HydrophobicContact CG2-CE2 3.95Å; F51-F69 WeakPolarHBondContact O-CA 3.38Å; F51-Y70 PolarHBondContact N-O 2.94Å; F51-Y70 PolarHBondContact O-N 2.83Å; F51-F72 AromaticContact CD2-CD2 3.84Å; F51-F72 HydrophobicContact CD2-CD2 3.84Å; F51-F72 AromaticContact CD2-CE2 3.91Å; F51-F72 HydrophobicContact CD2-CE2 3.91Å; F51-F72 AromaticContact CE2-CD2 3.96Å; F51-F72 HydrophobicContact CE2-CD2 3.96Å; F51-F72 HydrophobicContact CE2-CE2 4.27Å; F51-L346 HydrophobicContact CB-CD1 4.11Å; F51-L346 HydrophobicContact CD1-CD1 3.97Å; F51-L346 HydrophobicContact CG-CD1 4.25Å; F51-T349 HydrophobicContact CD1-CG2 4.35Å; F51-T349 HydrophobicContact CE1-CG2 3.67Å; F51-T349 HydrophobicContact CE2-CG2 4.03Å; F51-T349 HydrophobicContact CZ-CG2 3.47Å; F51-T349 VanDerWaalsContact CZ-CG2 3.47Å |
| 52 | E | 83.8 | Confident | 67.8 | Low | 56 Ų | 56 | 98.2 Ų | 98.2 | 26% | 0.262 | 49% | 0.494 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 119.2 | 175.6 | 178.3 | -172.1 | 154.4 | 0 | 0 | 109.6 | K23 E68 F69 | K23-E52 HydrophobicContact CB-CB 3.95Å; K23-E52 HydrophobicContact CB-CG 4.45Å; K23-E52 VanDerWaalsContact CD-CD 3.43Å; K23-E52 HydrophobicContact CD-CG 4.45Å; K23-E52 WeakPolarHBondContact CD-OE1 3.45Å; K23-E52 VanDerWaalsContact CD-OE2 3.22Å; K23-E52 WeakPolarHBondContact CD-OE2 3.41Å; K23-E52 IonicContact NZ-OE1 2.89Å; K23-E52 PolarHBondContact NZ-OE1 3.48Å; K23-E52 IonicContact NZ-OE2 3.16Å; K23-E52 PolarHBondContact O-N 2.94Å; E52-E68 CarbonylContact C-O 3.5Å; E52-E68 WeakPolarHBondContact CA-O 3.45Å; E52-F69 HydrophobicContact CB-CD1 4.09Å; E52-F69 HydrophobicContact CB-CE1 3.89Å; E52-F69 HydrophobicContact CG-CD1 4.28Å; E52-F69 HydrophobicContact CG-CE1 3.68Å; E52-F69 HydrophobicContact CG-CZ 4.23Å |
| 53 | C | 77.4 | Confident | 68.8 | Low | 27 Ų | 27 | 98.1 Ų | 98.1 | 18% | 0.182 | 50% | 0.497 | C | S | . | . | trans | -91 | 102.4 | 170.3 | -71.5 | 0 | 0 | 0 | 0 | 109.2 | E68 Y70 L346 | C53-E68 PolarHBondContact N-O 3.14Å; C53-Y70 HydrophobicContact CB-CE2 4.49Å; C53-Y70 VanDerWaalsContact SG-CE2 3.6Å; C53-L346 VanDerWaalsContact SG-CD2 3.58Å | ||
| 54 | T | 66.9 | Low | 69.4 | Low | 57 Ų | 57 | 91.2 Ų | 91.2 | 35% | 0.35 | 47% | 0.469 | S | S | . | . | trans | -65.5 | 137.1 | 177.5 | 51.9 | 0 | 0 | 0 | 0 | 111.8 | K23 | K23-T54 HydrophobicContact CD-CG2 4.23Š| ||
| 55 | R | 62 | Low | 69.9 | Low | 147 Ų | 147 | 94.6 Ų | 94.6 | 56% | 0.555 | 48% | 0.481 | S | S | * | . | trans | -70.5 | 137.5 | 169.2 | -61.9 | -174.5 | -169 | -171.5 | 4.4 | 110.1 | T57 E68 | R55-T57 HydrophobicContact CB-CG2 4.14Å; R55-T57 PolarHBondContact O-N 2.87Å; R55-E68 IonicContact CZ-OE1 3.6Å; R55-E68 IonicContact NE-OE1 2.68Å; R55-E68 PolarHBondContact NE-OE1 3.4Å; R55-E68 IonicContact NH2-OE1 3.65Å; R55-E68 PolarHBondContact NH2-OE1 3.45Å | ||
| 56 | N | 56.1 | Low | 69.7 | Low | 132 Ų | 132 | 96 Ų | 96 | 71% | 0.706 | 48% | 0.482 | S | S | * | . | trans | -75.7 | 81.2 | 156.2 | -80.6 | -7.7 | 0 | 0 | 0 | 107.4 | Q58 | N56-Q58 PolarHBondContact O-N 3.32Å; N56-Q58 VanDerWaalsContact O-N 3.08Å | ||
| 57 | T | 55.8 | Low | 68.9 | Low | 116 Ų | 116 | 97.8 Ų | 97.8 | 71% | 0.712 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -11.1 | -178.2 | 21.6 | 0 | 0 | 0 | 0 | 114 | R55 | R55-T57 HydrophobicContact CB-CG2 4.14Å; R55-T57 PolarHBondContact O-N 2.87Å |
| 58 | Q | 54.9 | Low | 68.1 | Low | 193 Ų | 193 | 100.3 Ų | 100.3 | 90% | 0.902 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.6 | -11.3 | -176.1 | -69.1 | -172.6 | -1.9 | 0 | 0 | 115.2 | N56 | N56-Q58 PolarHBondContact O-N 3.32Å; N56-Q58 VanDerWaalsContact O-N 3.08Å |
| 59 | Q | 53.1 | Low | 67.9 | Low | 166 Ų | 166 | 102.2 Ų | 102.2 | 78% | 0.776 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121 | -23.2 | -173.9 | -87.8 | -179.6 | -19.5 | 0 | 0 | 116.6 | ||
| 60 | D | 51.5 | Low | 67.7 | Low | 112 Ų | 112 | 103.7 Ų | 103.7 | 60% | 0.599 | 51% | 0.514 | S | S | * | . | trans | -119.3 | 99.9 | -172.2 | -67.1 | -33.4 | 0 | 0 | 0 | 111.4 | V62 | D60-V62 HydrophobicContact CB-CB 4.32Å; D60-V62 PolarHBondContact O-N 2.87Å | ||
| 61 | D | 56.8 | Low | 67.8 | Low | 181 Ų | 181 | 106.5 Ų | 106.5 | 97% | 0.968 | 53% | 0.529 | S | S | * | . | trans | -67.6 | 16.6 | 160 | -120.5 | -4.4 | 0 | 0 | 0 | 111.9 | ||||
| 62 | V | 61.1 | Low | 68 | Low | 103 Ų | 103 | 107 Ų | 107 | 62% | 0.624 | 53% | 0.531 | S | S | * | . | S | Bend | trans | -100.8 | 130.2 | -177.4 | -176.2 | 0 | 0 | 0 | 0 | 108.9 | D60 C64 | D60-V62 HydrophobicContact CB-CB 4.32Å; D60-V62 PolarHBondContact O-N 2.87Å; V62-C64 PolarHBondContact O-N 2.91Å |
| 63 | I | 61.2 | Low | 68.4 | Low | 146 Ų | 146 | 109.1 Ų | 109.1 | 75% | 0.749 | 54% | 0.541 | S | S | * | . | trans | -61.1 | 97.1 | 172.4 | -58.9 | 171.7 | 0 | 0 | 0 | 108.8 | N65 | I63-N65 PolarHBondContact O-N 3.19Š| ||
| 64 | C | 58.7 | Low | 69.2 | Low | 46 Ų | 46 | 107.9 Ų | 107.9 | 31% | 0.311 | 53% | 0.532 | S | S | . | . | trans | -85.8 | 99.1 | 178.3 | -163.9 | 0 | 0 | 0 | 0 | 109.3 | V62 R66 | V62-C64 PolarHBondContact O-N 2.91Å; C64-R66 PolarHBondContact O-N 3.3Å; C64-R66 WeakPolarHBondContact SG-CD 3.36Å; C64-R66 WeakPolarHBondContact SG-CG 3.38Å | ||
| 65 | N | 65.4 | Low | 70.5 | Confident | 158 Ų | 158 | 107.2 Ų | 107.2 | 85% | 0.845 | 53% | 0.527 | S | S | * | . | trans | -68.5 | 23.6 | 175.5 | -73.8 | -21.9 | 0 | 0 | 0 | 113.8 | I63 | I63-N65 PolarHBondContact O-N 3.19Š| ||
| 66 | R | 66.3 | Low | 71.9 | Confident | 201 Ų | 201 | 100.4 Ų | 100.4 | 76% | 0.758 | 50% | 0.502 | S | S | * | . | trans | -74.8 | 135.7 | 178.1 | -73 | -178.5 | -172.7 | -179.4 | 2.5 | 109.4 | C64 E68 | C64-R66 PolarHBondContact O-N 3.3Å; C64-R66 WeakPolarHBondContact SG-CD 3.36Å; C64-R66 WeakPolarHBondContact SG-CG 3.38Å; R66-E68 PolarHBondContact O-N 3.29Å | ||
| 67 | K | 68.2 | Low | 73.7 | Confident | 129 Ų | 129 | 94.3 Ų | 94.3 | 56% | 0.561 | 47% | 0.469 | S | S | * | . | trans | -63.7 | 122.1 | 176.1 | -168.5 | 178.2 | -170.4 | 178.9 | 0 | 109.5 | F69 Y70 | K67-F69 WeakPolarHBondContact CE-O 3.32Å; K67-F69 WeakPolarHBondContact CG-O 3.15Å; K67-Y70 HydrophobicContact CB-CE1 4.09Å; K67-Y70 HydrophobicContact CD-CD1 4.1Å; K67-Y70 HydrophobicContact CD-CE1 3.86Å; K67-Y70 HydrophobicContact CG-CE1 4.26Å; K67-Y70 WeakPolarHBondContact O-CE2 3.28Å; K67-Y70 PolarHBondContact O-OH 3.28Å | ||
| 68 | E | 72.6 | Confident | 75.5 | Confident | 64 Ų | 64 | 88.9 Ų | 88.9 | 30% | 0.299 | 44% | 0.436 | S | S | . | . | trans | -83.9 | -32.7 | -175.9 | -61.5 | -179 | 157.1 | 0 | 0 | 112.7 | E52 C53 R55 R66 | E52-E68 CarbonylContact C-O 3.5Å; E52-E68 WeakPolarHBondContact CA-O 3.45Å; C53-E68 PolarHBondContact N-O 3.14Å; R55-E68 IonicContact CZ-OE1 3.6Å; R55-E68 IonicContact NE-OE1 2.68Å; R55-E68 PolarHBondContact NE-OE1 3.4Å; R55-E68 IonicContact NH2-OE1 3.65Å; R55-E68 PolarHBondContact NH2-OE1 3.45Å; R66-E68 PolarHBondContact O-N 3.29Å | ||
| 69 | F | 83.6 | Confident | 77 | Confident | 93 Ų | 93 | 81.4 Ų | 81.4 | 41% | 0.408 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 122.9 | -175.9 | -61.2 | -82.3 | 0 | 0 | 0 | 111 | T50 F51 E52 K67 | T50-F69 HydrophobicContact CG2-CB 4.05Å; T50-F69 HydrophobicContact CG2-CD1 4.03Å; F51-F69 WeakPolarHBondContact O-CA 3.38Å; E52-F69 HydrophobicContact CB-CD1 4.09Å; E52-F69 HydrophobicContact CB-CE1 3.89Å; E52-F69 HydrophobicContact CG-CD1 4.28Å; E52-F69 HydrophobicContact CG-CE1 3.68Å; E52-F69 HydrophobicContact CG-CZ 4.23Å; K67-F69 WeakPolarHBondContact CE-O 3.32Å; K67-F69 WeakPolarHBondContact CG-O 3.15Å |
| 70 | Y | 88.6 | Confident | 78.6 | Confident | 31 Ų | 31 | 75.5 Ų | 75.5 | 12% | 0.122 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 111.3 | 175.9 | -65.7 | -83.5 | 0 | 0 | 0 | 110.5 | T50 F51 C53 K67 I350 | T50-Y70 CarbonylContact C-O 3.58Å; T50-Y70 VanDerWaalsContact CA-O 3.3Å; T50-Y70 WeakPolarHBondContact CA-O 3.39Å; F51-Y70 PolarHBondContact N-O 2.94Å; F51-Y70 PolarHBondContact O-N 2.83Å; C53-Y70 HydrophobicContact CB-CE2 4.49Å; C53-Y70 VanDerWaalsContact SG-CE2 3.6Å; K67-Y70 HydrophobicContact CB-CE1 4.09Å; K67-Y70 HydrophobicContact CD-CD1 4.1Å; K67-Y70 HydrophobicContact CD-CE1 3.86Å; K67-Y70 HydrophobicContact CG-CE1 4.26Å; K67-Y70 WeakPolarHBondContact O-CE2 3.28Å; K67-Y70 PolarHBondContact O-OH 3.28Å; Y70-I350 HydrophobicContact CD1-CG2 4.13Å; Y70-I350 HydrophobicContact CD2-CD1 3.57Å; Y70-I350 HydrophobicContact CD2-CG1 4.23Å; Y70-I350 HydrophobicContact CE1-CG2 4.41Å; Y70-I350 HydrophobicContact CE2-CD1 3.8Å; Y70-I350 HydrophobicContact CG-CD1 4.11Å; Y70-I350 HydrophobicContact CG-CG1 4.3Å; Y70-I350 HydrophobicContact CG-CG2 4.27Å |
| 71 | N | 90.9 | Very high | 80.2 | Confident | 76 Ų | 76 | 79.2 Ų | 79.2 | 41% | 0.406 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 131.2 | -179 | -65.7 | -62 | 0 | 0 | 0 | 110.7 | K48 I49 T50 | K48-N71 VanDerWaalsContact CE-CB 3.47Å; K48-N71 VanDerWaalsContact CE-CG 3.43Å; K48-N71 WeakPolarHBondContact CE-OD1 3.48Å; K48-N71 PolarHBondContact NZ-OD1 3.47Å; I49-N71 CarbonylContact O-C 2.95Å; I49-N71 WeakPolarHBondContact O-CA 3.25Å; T50-N71 VanDerWaalsContact CG2-OD1 3.31Å; T50-N71 WeakPolarHBondContact CG2-OD1 3.34Å; T50-N71 PolarHBondContact OG1-OD1 3.27Å |
| 72 | F | 93.6 | Very high | 81.7 | Confident | 14 Ų | 14 | 71.7 Ų | 71.7 | 6% | 0.061 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 147.1 | 177.2 | -58.5 | -72.3 | 0 | 0 | 0 | 111.4 | K48 I49 F51 F74 I350 C353 R354 Q357 | K48-F72 CarbonylContact C-O 3.56Å; K48-F72 VanDerWaalsContact CA-O 3.28Å; K48-F72 WeakPolarHBondContact CA-O 3.35Å; K48-F72 WeakPolarHBondContact CG-O 3.48Å; I49-F72 HydrophobicContact CG2-CB 3.97Å; I49-F72 PolarHBondContact N-O 2.8Å; I49-F72 PolarHBondContact O-N 2.89Å; F51-F72 AromaticContact CD2-CD2 3.84Å; F51-F72 HydrophobicContact CD2-CD2 3.84Å; F51-F72 AromaticContact CD2-CE2 3.91Å; F51-F72 HydrophobicContact CD2-CE2 3.91Å; F51-F72 AromaticContact CE2-CD2 3.96Å; F51-F72 HydrophobicContact CE2-CD2 3.96Å; F51-F72 HydrophobicContact CE2-CE2 4.27Å; F72-F74 HydrophobicContact CB-CD2 4.42Å; F72-F74 HydrophobicContact CB-CE2 3.65Å; F72-F74 HydrophobicContact CB-CZ 4.36Å; F72-I350 HydrophobicContact CZ-CG2 4.14Å; F72-C353 HydrophobicContact CB-CB 4.34Å; F72-C353 HydrophobicContact CD1-CB 3.76Å; F72-C353 HydrophobicContact CD2-CB 3.53Å; F72-C353 HydrophobicContact CE1-CB 3.82Å; F72-C353 HydrophobicContact CE2-CB 3.57Å; F72-C353 HydrophobicContact CG-CB 3.6Å; F72-C353 HydrophobicContact CZ-CB 3.71Å; F72-R354 HydrophobicContact CE1-CG 3.68Å; F72-R354 HydrophobicContact CZ-CG 3.96Å; F72-Q357 HydrophobicContact CD1-CG 3.77Å; F72-Q357 HydrophobicContact CE1-CG 4.46Å |
| 73 | Q | 92.7 | Very high | 83.1 | Confident | 100 Ų | 100 | 68.3 Ų | 68.3 | 47% | 0.467 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 138.7 | 179.5 | -70.5 | -178.8 | -31.6 | 0 | 0 | 110.9 | I8 K46 P47 K48 Q357 | I8-Q73 WeakPolarHBondContact CD1-O 3.29Å; K46-Q73 HydrophobicContact CB-CB 4.45Å; P47-Q73 WeakPolarHBondContact O-CA 3.23Å; K48-Q73 HydrophobicContact CB-CG 4.15Å; K48-Q73 HydrophobicContact CG-CG 4.16Å; Q73-Q357 PolarHBondContact O-NE2 3.15Å; Q73-Q357 PolarHBondContact O-OE1 3.1Å |
| 74 | F | 94.3 | Very high | 84.6 | Confident | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 30% | 0.3 | C | S | . | . | trans | -133.3 | 163.5 | -179.9 | -67.8 | -91 | 0 | 0 | 0 | 110.3 | I8 L10 K46 P47 I49 F72 I77 A337 C353 A356 | I8-F74 HydrophobicContact CB-CD1 4.23Å; I8-F74 HydrophobicContact CD1-CD1 3.77Å; I8-F74 HydrophobicContact CD1-CE1 4.14Å; I8-F74 HydrophobicContact CD1-CG 4.42Å; I8-F74 HydrophobicContact CG1-CD1 4.15Å; L10-F74 HydrophobicContact CB-CB 4.4Å; L10-F74 HydrophobicContact CB-CD1 3.77Å; L10-F74 HydrophobicContact CB-CD2 3.76Å; L10-F74 HydrophobicContact CB-CE1 3.89Å; L10-F74 HydrophobicContact CB-CE2 3.89Å; L10-F74 HydrophobicContact CB-CG 3.7Å; L10-F74 HydrophobicContact CB-CZ 3.96Å; L10-F74 HydrophobicContact CD1-CE1 4.44Å; L10-F74 HydrophobicContact CD1-CE2 4.41Å; L10-F74 HydrophobicContact CD1-CZ 4.07Å; L10-F74 HydrophobicContact CD2-CD2 4.04Å; L10-F74 HydrophobicContact CD2-CE2 3.7Å; L10-F74 HydrophobicContact CD2-CZ 4.19Å; L10-F74 HydrophobicContact CG-CD2 4.49Å; L10-F74 HydrophobicContact CG-CE2 4.23Å; L10-F74 HydrophobicContact CG-CZ 4.31Å; K46-F74 WeakPolarHBondContact CB-O 3.5Å; P47-F74 WeakPolarHBondContact CD-O 3.32Å; P47-F74 VanDerWaalsContact CG-O 3.32Å; P47-F74 WeakPolarHBondContact CG-O 3.41Å; P47-F74 PolarHBondContact O-N 3.41Å; P47-F74 VanDerWaalsContact O-N 3.09Å; I49-F74 HydrophobicContact CG2-CD2 4.27Å; I49-F74 HydrophobicContact CG2-CE2 3.96Å; F72-F74 HydrophobicContact CB-CD2 4.42Å; F72-F74 HydrophobicContact CB-CE2 3.65Å; F72-F74 HydrophobicContact CB-CZ 4.36Å; F74-I77 HydrophobicContact CB-CD1 4.48Å; F74-I77 HydrophobicContact CB-CG1 3.88Å; F74-I77 HydrophobicContact CD2-CD1 4.2Å; F74-I77 HydrophobicContact CD2-CG1 4.23Å; F74-I77 HydrophobicContact CG-CG1 4.4Å; F74-A337 HydrophobicContact CE1-CB 4.18Å; F74-C353 HydrophobicContact CZ-CB 4.14Å; F74-A356 HydrophobicContact CE1-CB 3.72Å; F74-A356 HydrophobicContact CZ-CB 4.32Å | ||
| 75 | D | 93.1 | Very high | 86.3 | Confident | 43 Ų | 43 | 63 Ų | 63 | 23% | 0.23 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -70.2 | -37.7 | 174.1 | -66.4 | -67.5 | 0 | 0 | 0 | 111.3 | Q7 I8 Y9 K46 | Q7-D75 WeakPolarHBondContact CA-OD2 3.4Å; I8-D75 PolarHBondContact N-OD2 3.32Å; I8-D75 WeakPolarHBondContact O-CB 3.35Å; I8-D75 PolarHBondContact O-N 3.45Å; Y9-D75 HydrophobicContact CE1-CB 4.29Å; K46-D75 WeakPolarHBondContact CE-OD1 3.48Å; K46-D75 IonicContact NZ-OD1 2.74Å; K46-D75 PolarHBondContact NZ-OD1 3.3Å; K46-D75 IonicContact NZ-OD2 2.72Å |
| 76 | A | 92.3 | Very high | 87.5 | Confident | 5 Ų | 5 | 58 Ų | 58 | 4% | 0.041 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 154.6 | 162.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y9 L10 T30 F78 | Y9-A76 WeakPolarHBondContact CA-O 3.4Å; Y9-A76 HydrophobicContact CD1-CB 3.72Å; Y9-A76 HydrophobicContact CE1-CB 4.05Å; L10-A76 PolarHBondContact N-O 3.19Å; T30-A76 HydrophobicContact CG2-CB 4.09Å; A76-F78 HydrophobicContact CB-CE1 4.44Å; A76-F78 HydrophobicContact CB-CZ 4.26Å |
| 77 | I | 92.9 | Very high | 88.8 | Confident | 3 Ų | 3 | 48.4 Ų | 48.4 | 2% | 0.015 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 118.9 | 177.5 | -56.8 | 179.6 | 0 | 0 | 0 | 108.7 | L10 I26 P47 I49 F74 | L10-I77 HydrophobicContact CB-CG1 4.33Å; L10-I77 HydrophobicContact CB-CG2 4.37Å; L10-I77 HydrophobicContact CD2-CG2 4.14Å; L10-I77 HydrophobicContact CG-CG2 4.49Å; I26-I77 HydrophobicContact CD1-CG2 3.86Å; I26-I77 HydrophobicContact CG1-CG2 4.39Å; I26-I77 HydrophobicContact CG2-CD1 4.27Å; I26-I77 HydrophobicContact CG2-CG2 4.47Å; P47-I77 HydrophobicContact CB-CD1 3.94Å; P47-I77 HydrophobicContact CB-CG1 4.08Å; P47-I77 HydrophobicContact CG-CD1 4.4Å; P47-I77 HydrophobicContact CG-CG1 4.09Å; I49-I77 HydrophobicContact CB-CD1 3.94Å; I49-I77 HydrophobicContact CG2-CD1 4.25Å; F74-I77 HydrophobicContact CB-CD1 4.48Å; F74-I77 HydrophobicContact CB-CG1 3.88Å; F74-I77 HydrophobicContact CD2-CD1 4.2Å; F74-I77 HydrophobicContact CD2-CG1 4.23Å; F74-I77 HydrophobicContact CG-CG1 4.4Å |
| 78 | F | 93.5 | Very high | 90.1 | Very high | 2 Ų | 2 | 42.9 Ų | 42.9 | 1% | 0.009 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 106.7 | 177.2 | -52.7 | -64 | 0 | 0 | 0 | 109.7 | Y9 L10 R11 L12 A76 V82 V87 D90 V91 | Y9-F78 HydrophobicContact CD1-CE2 4.03Å; Y9-F78 HydrophobicContact CD1-CZ 4.12Å; Y9-F78 HydrophobicContact CG-CE2 4.3Å; L10-F78 WeakPolarHBondContact O-CD2 3.35Å; L10-F78 PolarHBondContact O-N 3.11Å; R11-F78 HydrophobicContact CB-CB 4.37Å; R11-F78 HydrophobicContact CB-CD2 4.35Å; R11-F78 HydrophobicContact CG-CB 4.17Å; L12-F78 PolarHBondContact N-O 3.18Å; A76-F78 HydrophobicContact CB-CE1 4.44Å; A76-F78 HydrophobicContact CB-CZ 4.26Å; F78-V82 HydrophobicContact CB-CB 4.12Å; F78-V82 HydrophobicContact CB-CG1 4.25Å; F78-V82 HydrophobicContact CB-CG2 4.23Å; F78-V82 HydrophobicContact CD1-CG1 3.83Å; F78-V82 HydrophobicContact CG-CG1 4.37Å; F78-V87 HydrophobicContact CB-CG2 4.43Å; F78-V87 HydrophobicContact CD1-CG2 4.18Å; F78-V87 HydrophobicContact CD2-CG2 4.08Å; F78-V87 HydrophobicContact CE1-CG2 4.45Å; F78-V87 HydrophobicContact CE2-CG1 4.33Å; F78-V87 HydrophobicContact CE2-CG2 4.36Å; F78-V87 HydrophobicContact CG-CG2 3.97Å; F78-D90 HydrophobicContact CE1-CB 3.92Å; F78-D90 WeakPolarHBondContact CE1-OD2 3.39Å; F78-D90 HydrophobicContact CZ-CB 3.72Å; F78-V91 HydrophobicContact CE2-CG2 3.54Å; F78-V91 HydrophobicContact CZ-CG2 3.68Å |
| 79 | D | 87.8 | Confident | 91.2 | Very high | 36 Ų | 36 | 43.2 Ų | 43.2 | 19% | 0.193 | 22% | 0.22 | C | C | . | . | trans | -72.5 | 169.8 | 173.5 | -170.3 | 24.4 | 0 | 0 | 0 | 111.3 | Y24 I26 L29 K81 V82 | Y24-D79 PolarHBondContact OH-OD1 3.46Å; I26-D79 HydrophobicContact CD1-CB 4.36Å; L29-D79 HydrophobicContact CD2-CB 4.47Å; D79-K81 PolarHBondContact O-N 3.26Å; D79-V82 WeakPolarHBondContact O-CB 3.49Å; D79-V82 WeakPolarHBondContact O-CG2 3.46Å; D79-V82 PolarHBondContact O-N 3.47Å | ||
| 80 | T | 85.8 | Confident | 91.6 | Very high | 43 Ų | 43 | 41.4 Ų | 41.4 | 26% | 0.264 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.2 | -26 | -176.4 | 53.7 | 0 | 0 | 0 | 0 | 115.7 | P14 I341 | P14-T80 HydrophobicContact CB-CG2 4.41Å; P14-T80 HydrophobicContact CG-CG2 4.4Å; P14-T80 WeakPolarHBondContact CG-O 3.29Å; T80-I341 HydrophobicContact CG2-CD1 3.13Å |
| 81 | K | 85.7 | Confident | 91.8 | Very high | 190 Ų | 190 | 39.9 Ų | 39.9 | 83% | 0.826 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.3 | -8 | -176.9 | -60 | -180 | -176.2 | 175.5 | 0 | 113.6 | D79 | D79-K81 PolarHBondContact O-N 3.26Š|
| 82 | V | 88.3 | Confident | 92.1 | Very high | 22 Ų | 22 | 36.3 Ų | 36.3 | 13% | 0.133 | 19% | 0.189 | C | C | . | . | trans | -79 | 127.6 | -173.8 | -178.2 | 0 | 0 | 0 | 0 | 111.4 | F78 D79 Q86 V87 | F78-V82 HydrophobicContact CB-CB 4.12Å; F78-V82 HydrophobicContact CB-CG1 4.25Å; F78-V82 HydrophobicContact CB-CG2 4.23Å; F78-V82 HydrophobicContact CD1-CG1 3.83Å; F78-V82 HydrophobicContact CG-CG1 4.37Å; D79-V82 WeakPolarHBondContact O-CB 3.49Å; D79-V82 WeakPolarHBondContact O-CG2 3.46Å; D79-V82 PolarHBondContact O-N 3.47Å; V82-Q86 HydrophobicContact CG1-CB 3.81Å; V82-Q86 HydrophobicContact CG1-CG 3.99Å; V82-V87 HydrophobicContact CG1-CG2 4.08Å | ||
| 83 | G | 89.9 | Confident | 92.1 | Very high | 33 Ų | 33 | 39.4 Ų | 39.4 | 34% | 0.34 | 20% | 0.203 | S | C | . | . | trans | -75.5 | 163.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | D85 Q86 V87 | G83-D85 VanDerWaalsContact C-N 3.28Å; G83-D85 PolarHBondContact O-N 2.98Å; G83-Q86 PolarHBondContact O-N 2.9Å; G83-V87 WeakPolarHBondContact O-CG2 3.29Å; G83-V87 PolarHBondContact O-N 3.45Å | ||
| 84 | Q | 93.1 | Very high | 92.1 | Very high | 4 Ų | 4 | 37.1 Ų | 37.1 | 2% | 0.019 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -64 | -32.1 | 179.6 | -64.6 | -82.8 | 60.8 | 0 | 0 | 113.4 | V87 F88 Y119 E130 R131 | Q84-V87 PolarHBondContact O-N 2.82Å; Q84-F88 WeakPolarHBondContact O-CB 3.41Å; Q84-F88 PolarHBondContact O-N 3.13Å; Q84-Y119 HydrophobicContact CG-CE1 4.2Å; Q84-Y119 PolarHBondContact NE2-O 3.47Å; Q84-E130 PolarHBondContact NE2-O 3.5Å; Q84-R131 VanDerWaalsContact CB-O 3.23Å; Q84-R131 WeakPolarHBondContact CB-O 3.4Å |
| 85 | D | 93.1 | Very high | 92.2 | Very high | 76 Ų | 76 | 37.1 Ų | 37.1 | 41% | 0.406 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -62.4 | -45.1 | 177.2 | 58 | -60.1 | 0 | 0 | 0 | 111.7 | G83 F88 N89 | G83-D85 VanDerWaalsContact C-N 3.28Å; G83-D85 PolarHBondContact O-N 2.98Å; D85-F88 WeakPolarHBondContact O-CB 3.29Å; D85-F88 PolarHBondContact O-N 2.91Å; D85-N89 VanDerWaalsContact O-CG 3.31Å; D85-N89 PolarHBondContact O-N 2.9Å; D85-N89 PolarHBondContact O-ND2 3.37Å |
| 86 | Q | 91.2 | Very high | 92.4 | Very high | 53 Ų | 53 | 35.1 Ų | 35.1 | 25% | 0.248 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -68.4 | -42.7 | 177.6 | -173 | 61.8 | 32.3 | 0 | 0 | 111.5 | V82 G83 F88 N89 D90 | V82-Q86 HydrophobicContact CG1-CB 3.81Å; V82-Q86 HydrophobicContact CG1-CG 3.99Å; G83-Q86 PolarHBondContact O-N 2.9Å; Q86-F88 VanDerWaalsContact C-N 3.27Å; Q86-F88 PolarHBondContact O-N 3.08Å; Q86-N89 PolarHBondContact O-N 2.64Å; Q86-N89 VanDerWaalsContact O-N 3.15Å; Q86-D90 PolarHBondContact NE2-OD1 2.89Å; Q86-D90 PolarHBondContact NE2-OD2 3.23Å; Q86-D90 PolarHBondContact O-N 2.91Å |
| 87 | V | 94.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -57.9 | -42.8 | 174.9 | 174.9 | 0 | 0 | 0 | 0 | 110.7 | F78 V82 G83 Q84 V91 T120 I133 I336 | F78-V87 HydrophobicContact CB-CG2 4.43Å; F78-V87 HydrophobicContact CD1-CG2 4.18Å; F78-V87 HydrophobicContact CD2-CG2 4.08Å; F78-V87 HydrophobicContact CE1-CG2 4.45Å; F78-V87 HydrophobicContact CE2-CG1 4.33Å; F78-V87 HydrophobicContact CE2-CG2 4.36Å; F78-V87 HydrophobicContact CG-CG2 3.97Å; V82-V87 HydrophobicContact CG1-CG2 4.08Å; G83-V87 WeakPolarHBondContact O-CG2 3.29Å; G83-V87 PolarHBondContact O-N 3.45Å; Q84-V87 PolarHBondContact O-N 2.82Å; V87-V91 HydrophobicContact CG1-CG2 4.29Å; V87-V91 VanDerWaalsContact O-CB 3.31Å; V87-V91 WeakPolarHBondContact O-CB 3.23Å; V87-V91 WeakPolarHBondContact O-CG2 3.18Å; V87-V91 PolarHBondContact O-N 3.46Å; V87-T120 HydrophobicContact CG1-CG2 4.24Å; V87-I133 HydrophobicContact CG1-CD1 4.47Å; V87-I336 HydrophobicContact CG1-CD1 4.42Å |
| 88 | F | 96.2 | Very high | 92.6 | Very high | 12 Ų | 12 | 41.7 Ų | 41.7 | 5% | 0.053 | 22% | 0.218 | C | C | . | . | I | π-helix | trans | -61.4 | -46.5 | 175.2 | 173.9 | -95.9 | 0 | 0 | 0 | 112.2 | Q84 D85 Q86 D90 A92 K93 I96 R136 C137 Y140 | Q84-F88 WeakPolarHBondContact O-CB 3.41Å; Q84-F88 PolarHBondContact O-N 3.13Å; D85-F88 WeakPolarHBondContact O-CB 3.29Å; D85-F88 PolarHBondContact O-N 2.91Å; Q86-F88 VanDerWaalsContact C-N 3.27Å; Q86-F88 PolarHBondContact O-N 3.08Å; F88-D90 PolarHBondContact O-N 2.98Å; F88-A92 HydrophobicContact CD2-CB 3.65Å; F88-A92 HydrophobicContact CE2-CB 3.86Å; F88-A92 HydrophobicContact CG-CB 4.38Å; F88-A92 WeakPolarHBondContact O-CA 3.34Å; F88-A92 WeakPolarHBondContact O-CB 3.28Å; F88-A92 PolarHBondContact O-N 2.86Å; F88-K93 PolarHBondContact O-N 3.46Å; F88-I96 HydrophobicContact CE2-CD1 3.48Å; F88-I96 VanDerWaalsContact CE2-CD1 3.48Å; F88-I96 HydrophobicContact CZ-CD1 3.66Å; F88-R136 HydrophobicContact CB-CB 4.45Å; F88-R136 HydrophobicContact CD1-CB 4.27Å; F88-R136 HydrophobicContact CD2-CB 3.52Å; F88-R136 HydrophobicContact CE1-CB 4.45Å; F88-R136 HydrophobicContact CE2-CB 3.74Å; F88-R136 HydrophobicContact CG-CB 3.81Å; F88-R136 HydrophobicContact CZ-CB 4.21Å; F88-C137 HydrophobicContact CE2-CB 4.03Å; F88-Y140 HydrophobicContact CE1-CD2 4.46Å; F88-Y140 HydrophobicContact CE1-CG 4.42Å; F88-Y140 HydrophobicContact CZ-CG 4.11Å |
| 89 | N | 94.7 | Very high | 92.7 | Very high | 71 Ų | 71 | 41.6 Ų | 41.6 | 38% | 0.38 | 22% | 0.217 | S | C | . | . | I | π-helix | trans | -63.2 | -42 | -179 | -74.2 | -30.3 | 0 | 0 | 0 | 112.9 | D85 Q86 K93 | D85-N89 VanDerWaalsContact O-CG 3.31Å; D85-N89 PolarHBondContact O-N 2.9Å; D85-N89 PolarHBondContact O-ND2 3.37Å; Q86-N89 PolarHBondContact O-N 2.64Å; Q86-N89 VanDerWaalsContact O-N 3.15Å; N89-K93 VanDerWaalsContact O-CB 3.31Å; N89-K93 WeakPolarHBondContact O-CB 3.48Å |
| 90 | D | 92 | Very high | 93 | Very high | 55 Ų | 55 | 40.2 Ų | 40.2 | 29% | 0.294 | 21% | 0.21 | S | C | . | . | I | π-helix | trans | -83.3 | -31.5 | -174.3 | -70.5 | -13.7 | 0 | 0 | 0 | 113.2 | Y9 F78 Q86 F88 | Y9-D90 PolarHBondContact OH-O 2.71Å; F78-D90 HydrophobicContact CE1-CB 3.92Å; F78-D90 WeakPolarHBondContact CE1-OD2 3.39Å; F78-D90 HydrophobicContact CZ-CB 3.72Å; Q86-D90 PolarHBondContact NE2-OD1 2.89Å; Q86-D90 PolarHBondContact NE2-OD2 3.23Å; Q86-D90 PolarHBondContact O-N 2.91Å; F88-D90 PolarHBondContact O-N 2.98Å |
| 91 | V | 93.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 22% | 0.219 | C | C | . | . | I | π-helix | trans | -99.7 | -53.9 | -177.1 | -174.3 | 0 | 0 | 0 | 0 | 112.4 | Y9 F78 V87 I107 I336 | Y9-V91 HydrophobicContact CD1-CG2 3.72Å; Y9-V91 HydrophobicContact CD2-CB 4.28Å; Y9-V91 HydrophobicContact CD2-CG1 3.74Å; Y9-V91 HydrophobicContact CD2-CG2 3.82Å; Y9-V91 HydrophobicContact CE1-CG2 4Å; Y9-V91 HydrophobicContact CE2-CB 4.24Å; Y9-V91 HydrophobicContact CE2-CG1 3.76Å; Y9-V91 HydrophobicContact CE2-CG2 4.12Å; Y9-V91 HydrophobicContact CG-CG1 4.38Å; Y9-V91 HydrophobicContact CG-CG2 3.6Å; F78-V91 HydrophobicContact CE2-CG2 3.54Å; F78-V91 HydrophobicContact CZ-CG2 3.68Å; V87-V91 HydrophobicContact CG1-CG2 4.29Å; V87-V91 VanDerWaalsContact O-CB 3.31Å; V87-V91 WeakPolarHBondContact O-CB 3.23Å; V87-V91 WeakPolarHBondContact O-CG2 3.18Å; V87-V91 PolarHBondContact O-N 3.46Å; V91-I107 HydrophobicContact CG1-CG2 4.3Å; V91-I336 HydrophobicContact CB-CD1 4.32Å; V91-I336 HydrophobicContact CG1-CD1 3.83Å; V91-I336 HydrophobicContact CG1-CG1 3.78Å; V91-I336 HydrophobicContact CG2-CD1 4.29Å; V91-I336 HydrophobicContact CG2-CG1 4.34Å |
| 92 | A | 95.2 | Very high | 93.7 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 18% | 0.18 | C | C | . | . | I | π-helix | trans | -88 | -40.3 | -164.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | F88 S94 V95 I96 I107 I133 | F88-A92 HydrophobicContact CD2-CB 3.65Å; F88-A92 HydrophobicContact CE2-CB 3.86Å; F88-A92 HydrophobicContact CG-CB 4.38Å; F88-A92 WeakPolarHBondContact O-CA 3.34Å; F88-A92 WeakPolarHBondContact O-CB 3.28Å; F88-A92 PolarHBondContact O-N 2.86Å; A92-S94 VanDerWaalsContact C-N 3.33Å; A92-S94 PolarHBondContact O-N 2.92Å; A92-V95 PolarHBondContact O-N 2.96Å; A92-I96 HydrophobicContact CB-CD1 3.9Å; A92-I96 WeakPolarHBondContact O-CD1 3.35Å; A92-I96 VanDerWaalsContact O-CG1 3.25Å; A92-I96 WeakPolarHBondContact O-CG1 3.23Å; A92-I96 PolarHBondContact O-N 3.41Å; A92-I107 HydrophobicContact CB-CD1 3.55Å; A92-I133 HydrophobicContact CB-CG2 3.84Å |
| 93 | K | 94.8 | Very high | 94 | Very high | 80 Ų | 80 | 34.9 Ų | 34.9 | 35% | 0.348 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -52.8 | -47.3 | -173.8 | -170.7 | 177.7 | 179.2 | 179.2 | 0 | 112.9 | F88 N89 V95 I96 D97 Y140 | F88-K93 PolarHBondContact O-N 3.46Å; N89-K93 VanDerWaalsContact O-CB 3.31Å; N89-K93 WeakPolarHBondContact O-CB 3.48Å; K93-V95 PolarHBondContact O-N 3.42Å; K93-I96 PolarHBondContact O-N 2.84Å; K93-D97 WeakPolarHBondContact O-CB 3.35Å; K93-D97 PolarHBondContact O-N 2.89Å; K93-Y140 WeakPolarHBondContact CE-OH 3.37Å; K93-Y140 HydrophobicContact CG-CE2 4.46Å |
| 94 | S | 93.1 | Very high | 94.2 | Very high | 52 Ų | 52 | 34.1 Ų | 34.1 | 36% | 0.364 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -62.3 | -40.1 | 179.7 | -173.2 | 0 | 0 | 0 | 0 | 113.1 | A92 K98 | A92-S94 VanDerWaalsContact C-N 3.33Å; A92-S94 PolarHBondContact O-N 2.92Å; S94-K98 WeakPolarHBondContact O-CG 3.44Å; S94-K98 PolarHBondContact O-N 2.87Å |
| 95 | V | 95.7 | Very high | 94.3 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -68 | -40.1 | 177.1 | -177.5 | 0 | 0 | 0 | 0 | 110.5 | A92 K93 K98 S99 I107 L263 M332 S334 | A92-V95 PolarHBondContact O-N 2.96Å; K93-V95 PolarHBondContact O-N 3.42Å; V95-K98 PolarHBondContact O-N 3.2Å; V95-S99 WeakPolarHBondContact O-CB 3.37Å; V95-S99 PolarHBondContact O-N 2.89Å; V95-S99 PolarHBondContact O-OG 3.28Å; V95-I107 HydrophobicContact CB-CD1 4.25Å; V95-I107 HydrophobicContact CB-CG1 4.3Å; V95-I107 HydrophobicContact CG1-CD1 4.47Å; V95-I107 HydrophobicContact CG1-CG1 4.18Å; V95-I107 HydrophobicContact CG2-CG1 4.27Å; V95-L263 HydrophobicContact CG1-CD1 3.94Å; V95-M332 HydrophobicContact CG2-CE 3.95Å; V95-M332 HydrophobicContact CG2-CG 4.41Å; V95-S334 VanDerWaalsContact CG2-OG 3.29Å; V95-S334 WeakPolarHBondContact CG2-OG 3.39Å |
| 96 | I | 96.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -68 | -44.1 | 179.4 | -61.7 | 160.5 | 0 | 0 | 0 | 110.8 | F88 A92 K93 K98 S99 L100 C137 Y140 L141 L263 | F88-I96 HydrophobicContact CE2-CD1 3.48Å; F88-I96 VanDerWaalsContact CE2-CD1 3.48Å; F88-I96 HydrophobicContact CZ-CD1 3.66Å; A92-I96 HydrophobicContact CB-CD1 3.9Å; A92-I96 WeakPolarHBondContact O-CD1 3.35Å; A92-I96 VanDerWaalsContact O-CG1 3.25Å; A92-I96 WeakPolarHBondContact O-CG1 3.23Å; A92-I96 PolarHBondContact O-N 3.41Å; K93-I96 PolarHBondContact O-N 2.84Å; I96-K98 VanDerWaalsContact C-N 3.27Å; I96-K98 PolarHBondContact O-N 3.28Å; I96-S99 CarbonylContact O-C 3.58Å; I96-S99 WeakPolarHBondContact O-CA 3.35Å; I96-S99 WeakPolarHBondContact O-CB 3.49Å; I96-S99 PolarHBondContact O-N 2.83Å; I96-L100 HydrophobicContact CG2-CD1 4.41Å; I96-L100 WeakPolarHBondContact O-CG 3.35Å; I96-L100 PolarHBondContact O-N 3.38Å; I96-C137 HydrophobicContact CD1-CB 3.82Å; I96-C137 VanDerWaalsContact CD1-SG 3.58Å; I96-Y140 HydrophobicContact CB-CD1 4.4Å; I96-Y140 HydrophobicContact CB-CE1 4.48Å; I96-Y140 HydrophobicContact CG2-CD1 3.65Å; I96-Y140 HydrophobicContact CG2-CE1 3.95Å; I96-L141 HydrophobicContact CG2-CD2 3.56Å; I96-L141 HydrophobicContact CG2-CG 4.06Å; I96-L263 HydrophobicContact CG1-CD2 3.94Å |
| 97 | D | 96 | Very high | 94.8 | Very high | 59 Ų | 59 | 27.8 Ų | 27.8 | 32% | 0.316 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -57.9 | -40.6 | 175.8 | -70.2 | -21.7 | 0 | 0 | 0 | 111.2 | K93 L101 Y140 | K93-D97 WeakPolarHBondContact O-CB 3.35Å; K93-D97 PolarHBondContact O-N 2.89Å; D97-L101 WeakPolarHBondContact O-CG 3.26Å; D97-L101 PolarHBondContact O-N 2.86Å; D97-Y140 WeakPolarHBondContact OD1-CE1 3.3Å; D97-Y140 PolarHBondContact OD1-OH 3.4Å |
| 98 | K | 94 | Very high | 94.9 | Very high | 87 Ų | 87 | 27.9 Ų | 27.9 | 38% | 0.378 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -69.8 | -33.8 | 172.5 | -65.6 | -55.9 | -173.4 | -177.7 | 0 | 112.6 | S94 V95 I96 L101 G102 Y103 M332 | S94-K98 WeakPolarHBondContact O-CG 3.44Å; S94-K98 PolarHBondContact O-N 2.87Å; V95-K98 PolarHBondContact O-N 3.2Å; I96-K98 VanDerWaalsContact C-N 3.27Å; I96-K98 PolarHBondContact O-N 3.28Å; K98-L101 HydrophobicContact CD-CD1 4.14Å; K98-L101 WeakPolarHBondContact O-CB 3.43Å; K98-L101 PolarHBondContact O-N 3.31Å; K98-G102 PolarHBondContact O-N 3.38Å; K98-Y103 HydrophobicContact CB-CD2 4.33Å; K98-Y103 HydrophobicContact CD-CD2 4.49Å; K98-Y103 WeakPolarHBondContact O-CB 3.38Å; K98-Y103 WeakPolarHBondContact O-CD2 3.35Å; K98-Y103 PolarHBondContact O-N 2.91Å; K98-Y103 VanDerWaalsContact O-N 3.11Å; K98-M332 HydrophobicContact CB-SD 3.89Å; K98-M332 HydrophobicContact CG-SD 3.56Å; K98-M332 VanDerWaalsContact CG-SD 3.56Å |
| 99 | S | 95.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -64.5 | -40.1 | 176.4 | -56.3 | 0 | 0 | 0 | 0 | 112.1 | V95 I96 L101 G102 Y103 S261 | V95-S99 WeakPolarHBondContact O-CB 3.37Å; V95-S99 PolarHBondContact O-N 2.89Å; V95-S99 PolarHBondContact O-OG 3.28Å; I96-S99 CarbonylContact O-C 3.58Å; I96-S99 WeakPolarHBondContact O-CA 3.35Å; I96-S99 WeakPolarHBondContact O-CB 3.49Å; I96-S99 PolarHBondContact O-N 2.83Å; S99-L101 VanDerWaalsContact C-N 3.26Å; S99-L101 PolarHBondContact O-N 3.36Å; S99-G102 PolarHBondContact O-N 2.91Å; S99-Y103 VanDerWaalsContact CA-O 3.28Å; S99-Y103 WeakPolarHBondContact CA-O 3.09Å; S99-S261 VanDerWaalsContact O-CB 3.26Å; S99-S261 WeakPolarHBondContact O-CB 3.34Å; S99-S261 PolarHBondContact O-OG 3.09Å |
| 100 | L | 94.6 | Very high | 95 | Very high | 8 Ų | 8 | 24.2 Ų | 24.2 | 4% | 0.042 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -60.4 | -35.8 | 173.2 | -72.5 | 166.8 | 0 | 0 | 0 | 112.4 | I96 G102 Y140 L141 H144 F145 Y153 | I96-L100 HydrophobicContact CG2-CD1 4.41Å; I96-L100 WeakPolarHBondContact O-CG 3.35Å; I96-L100 PolarHBondContact O-N 3.38Å; L100-G102 PolarHBondContact O-N 2.83Å; L100-Y140 HydrophobicContact CD1-CE1 4.32Å; L100-L141 HydrophobicContact CD1-CD2 4.41Å; L100-L141 HydrophobicContact CD2-CD2 3.61Å; L100-L141 HydrophobicContact CG-CD2 3.93Å; L100-H144 HydrophobicContact CD1-CB 4.03Å; L100-F145 HydrophobicContact CD2-CD1 4.29Å; L100-F145 HydrophobicContact CD2-CE1 3.59Å; L100-F145 HydrophobicContact CD2-CZ 4.48Å; L100-Y153 HydrophobicContact CD2-CE1 4.33Å |
| 101 | L | 92.5 | Very high | 95 | Very high | 86 Ų | 86 | 21.6 Ų | 21.6 | 45% | 0.45 | 11% | 0.107 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -9.7 | 175.4 | -64.3 | 176.1 | 0 | 0 | 0 | 114.1 | D97 K98 S99 Y103 L368 | D97-L101 WeakPolarHBondContact O-CG 3.26Å; D97-L101 PolarHBondContact O-N 2.86Å; K98-L101 HydrophobicContact CD-CD1 4.14Å; K98-L101 WeakPolarHBondContact O-CB 3.43Å; K98-L101 PolarHBondContact O-N 3.31Å; S99-L101 VanDerWaalsContact C-N 3.26Å; S99-L101 PolarHBondContact O-N 3.36Å; L101-Y103 HydrophobicContact CB-CD2 4.03Å; L101-Y103 HydrophobicContact CB-CE2 4.13Å; L101-L368 WeakPolarHBondContact O-CD1 3.13Å |
| 102 | G | 92.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 11% | 0.109 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 102.1 | 15.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | K98 S99 L100 N369 | K98-G102 PolarHBondContact O-N 3.38Å; S99-G102 PolarHBondContact O-N 2.91Å; L100-G102 PolarHBondContact O-N 2.83Å; G102-N369 WeakPolarHBondContact O-CB 3.42Å; G102-N369 PolarHBondContact O-N 2.84Å; G102-N369 VanDerWaalsContact O-N 3.11Å |
| 103 | Y | 94.6 | Very high | 94.6 | Very high | 56 Ų | 56 | 24.1 Ų | 24.1 | 22% | 0.22 | 12% | 0.122 | C | C | . | . | trans | -91.2 | 147.7 | 170.4 | -63.3 | -87.3 | 0 | 0 | 0 | 110.5 | K98 S99 L101 S261 I366 T367 L368 | K98-Y103 HydrophobicContact CB-CD2 4.33Å; K98-Y103 HydrophobicContact CD-CD2 4.49Å; K98-Y103 WeakPolarHBondContact O-CB 3.38Å; K98-Y103 WeakPolarHBondContact O-CD2 3.35Å; K98-Y103 PolarHBondContact O-N 2.91Å; K98-Y103 VanDerWaalsContact O-N 3.11Å; S99-Y103 VanDerWaalsContact CA-O 3.28Å; S99-Y103 WeakPolarHBondContact CA-O 3.09Å; L101-Y103 HydrophobicContact CB-CD2 4.03Å; L101-Y103 HydrophobicContact CB-CE2 4.13Å; Y103-S261 WeakPolarHBondContact O-CB 3.37Å; Y103-I366 HydrophobicContact CD1-CB 4.34Å; Y103-I366 HydrophobicContact CD1-CD1 4.46Å; Y103-T367 WeakPolarHBondContact CD1-O 3.47Å; Y103-L368 HydrophobicContact CD2-CD1 4.4Å; Y103-L368 HydrophobicContact CE1-CB 3.94Å; Y103-L368 HydrophobicContact CE2-CD1 4.12Å | ||
| 104 | N | 94.8 | Very high | 94.2 | Very high | 17 Ų | 17 | 22.1 Ų | 22.1 | 9% | 0.091 | 12% | 0.123 | C | C | . | . | trans | -73.2 | 146.5 | 171.4 | -61 | -42.3 | 0 | 0 | 0 | 110.5 | K262 N330 C331 M332 N369 | N104-K262 CarbonylContact C-O 3.58Å; N104-K262 WeakPolarHBondContact CA-O 3.44Å; N104-K262 PolarHBondContact OD1-N 3.38Å; N104-N330 WeakPolarHBondContact CB-O 3.42Å; N104-N330 PolarHBondContact ND2-O 2.97Å; N104-C331 HydrophobicContact CB-CB 4.23Å; N104-M332 PolarHBondContact O-N 2.96Å; N104-N369 VanDerWaalsContact CG-ND2 3.34Å; N104-N369 PolarHBondContact ND2-ND2 2.6Å; N104-N369 PolarHBondContact OD1-ND2 2.93Å; N104-N369 VanDerWaalsContact OD1-ND2 3.08Å | ||
| 105 | G | 95.5 | Very high | 94.1 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 144.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | K262 L263 H264 M332 | G105-K262 PolarHBondContact N-O 3.5Å; G105-L263 CarbonylContact O-C 3.28Å; G105-L263 VanDerWaalsContact O-CA 3.29Å; G105-L263 WeakPolarHBondContact O-CA 3.25Å; G105-H264 PolarHBondContact O-N 3.17Å; G105-M332 CarbonylContact C-O 3.56Å; G105-M332 VanDerWaalsContact CA-O 3.3Å; G105-M332 WeakPolarHBondContact CA-O 3.42Å |
| 106 | T | 96.7 | Very high | 93.9 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 130.3 | 168.9 | -61.6 | 0 | 0 | 0 | 0 | 110 | F108 H264 V266 L323 S326 C331 M332 T333 S334 | T106-F108 HydrophobicContact CG2-CD1 4.16Å; T106-H264 CarbonylContact C-O 3.48Å; T106-H264 VanDerWaalsContact CA-O 3.32Å; T106-H264 WeakPolarHBondContact CA-O 3.42Å; T106-H264 HydrophobicContact CG2-CB 4.07Å; T106-V266 HydrophobicContact CG2-CG2 4.41Å; T106-L323 HydrophobicContact CG2-CD2 4.41Å; T106-S326 WeakPolarHBondContact OG1-CB 3.39Å; T106-S326 PolarHBondContact OG1-OG 2.9Å; T106-C331 PolarHBondContact N-SG 3.32Å; T106-C331 PolarHBondContact OG1-SG 3.5Å; T106-M332 PolarHBondContact N-O 2.9Å; T106-T333 HydrophobicContact CG2-CG2 4.31Å; T106-T333 CarbonylContact O-C 3.57Å; T106-T333 VanDerWaalsContact O-CA 3.32Å; T106-T333 WeakPolarHBondContact O-CA 3.41Å; T106-S334 PolarHBondContact O-N 3.21Å |
| 107 | I | 98 | Very high | 93.8 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 120.4 | 171.1 | -54.2 | 171.6 | 0 | 0 | 0 | 107 | V91 A92 V95 I133 H264 L265 V266 S334 I336 | V91-I107 HydrophobicContact CG1-CG2 4.3Å; A92-I107 HydrophobicContact CB-CD1 3.55Å; V95-I107 HydrophobicContact CB-CD1 4.25Å; V95-I107 HydrophobicContact CB-CG1 4.3Å; V95-I107 HydrophobicContact CG1-CD1 4.47Å; V95-I107 HydrophobicContact CG1-CG1 4.18Å; V95-I107 HydrophobicContact CG2-CG1 4.27Å; I107-I133 HydrophobicContact CD1-CG2 4.23Å; I107-I133 HydrophobicContact CG2-CD1 4.21Å; I107-H264 PolarHBondContact N-O 2.95Å; I107-L265 HydrophobicContact CB-CD2 3.91Å; I107-L265 HydrophobicContact CD1-CD2 3.83Å; I107-L265 HydrophobicContact CG1-CD2 4.15Å; I107-L265 WeakPolarHBondContact O-CA 3.2Å; I107-V266 PolarHBondContact O-N 3.4Å; I107-S334 WeakPolarHBondContact CA-O 3.48Å; I107-I336 HydrophobicContact CG2-CD1 4.19Å |
| 108 | F | 96.1 | Very high | 93.6 | Very high | 3 Ų | 3 | 21.1 Ų | 21.1 | 1% | 0.013 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 139.1 | 179 | 69.7 | -90.1 | 0 | 0 | 0 | 112.5 | T106 V266 L268 L327 T333 S334 M335 I336 V359 | T106-F108 HydrophobicContact CG2-CD1 4.16Å; F108-V266 VanDerWaalsContact CA-O 3.3Å; F108-V266 WeakPolarHBondContact CA-O 3.19Å; F108-V266 HydrophobicContact CB-CB 3.67Å; F108-V266 HydrophobicContact CB-CG1 4.23Å; F108-V266 HydrophobicContact CB-CG2 4.41Å; F108-L268 HydrophobicContact CD2-CD1 3.79Å; F108-L268 HydrophobicContact CE2-CD1 4.38Å; F108-L327 HydrophobicContact CE1-CD2 4.25Å; F108-L327 HydrophobicContact CZ-CD2 4.34Å; F108-T333 HydrophobicContact CD1-CG2 3.9Å; F108-T333 HydrophobicContact CE1-CG2 3.51Å; F108-S334 PolarHBondContact N-O 3.34Å; F108-S334 VanDerWaalsContact N-O 3.1Å; F108-M335 HydrophobicContact CD2-CB 4.5Å; F108-M335 HydrophobicContact CD2-CG 4.12Å; F108-M335 HydrophobicContact CE1-CB 3.93Å; F108-M335 HydrophobicContact CE1-CG 4.43Å; F108-M335 HydrophobicContact CE2-CB 3.91Å; F108-M335 HydrophobicContact CE2-CE 4.49Å; F108-M335 HydrophobicContact CE2-CG 3.48Å; F108-M335 VanDerWaalsContact CE2-CG 3.48Å; F108-M335 HydrophobicContact CE2-SD 3.93Å; F108-M335 HydrophobicContact CZ-CB 3.59Å; F108-M335 HydrophobicContact CZ-CG 3.67Å; F108-M335 HydrophobicContact CZ-SD 4.03Å; F108-M335 WeakPolarHBondContact O-CA 3.42Å; F108-I336 PolarHBondContact O-N 3.38Å; F108-V359 HydrophobicContact CZ-CG1 4.34Å |
| 109 | A | 96.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 135.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | K117 I121 V266 L268 I336 | A109-K117 HydrophobicContact CB-CB 4Å; A109-K117 HydrophobicContact CB-CG 4.26Å; A109-I121 HydrophobicContact CB-CD1 3.87Å; A109-I121 HydrophobicContact CB-CG1 3.6Å; A109-V266 PolarHBondContact N-O 3.43Å; A109-L268 WeakPolarHBondContact O-CB 3.46Å; A109-L268 PolarHBondContact O-N 3.35Å; A109-I336 WeakPolarHBondContact CA-O 3.46Å |
| 110 | Y | 95.4 | Very high | 93.5 | Very high | 6 Ų | 6 | 21.7 Ų | 21.7 | 2% | 0.024 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 137.6 | -179.5 | 179.6 | -88.2 | 0 | 0 | 0 | 110.9 | L268 S271 L294 M335 I336 A337 T338 T352 F355 | Y110-L268 HydrophobicContact CD2-CD1 3.82Å; Y110-S271 VanDerWaalsContact CZ-CB 3.44Å; Y110-S271 WeakPolarHBondContact OH-CB 3.46Å; Y110-L294 HydrophobicContact CE2-CD2 4.09Å; Y110-M335 HydrophobicContact CD1-CE 3.81Å; Y110-M335 HydrophobicContact CG-CE 4.01Å; Y110-I336 PolarHBondContact N-O 3.49Å; Y110-A337 CarbonylContact O-C 3.58Å; Y110-A337 WeakPolarHBondContact O-CA 3.24Å; Y110-T338 PolarHBondContact O-N 3.09Å; Y110-T338 PolarHBondContact O-OG1 3.47Å; Y110-T352 HydrophobicContact CD1-CG2 3.91Å; Y110-T352 HydrophobicContact CE1-CG2 4.17Å; Y110-F355 AromaticContact CD1-CD1 3.47Å; Y110-F355 HydrophobicContact CD1-CD1 3.47Å; Y110-F355 VanDerWaalsContact CD1-CD1 3.47Å; Y110-F355 AromaticContact CD1-CE1 3.87Å; Y110-F355 HydrophobicContact CD1-CE1 3.87Å; Y110-F355 HydrophobicContact CD1-CG 4.37Å; Y110-F355 HydrophobicContact CD2-CD1 4.3Å; Y110-F355 AromaticContact CD2-CE1 3.91Å; Y110-F355 HydrophobicContact CD2-CE1 3.91Å; Y110-F355 HydrophobicContact CE1-CB 4.05Å; Y110-F355 AromaticContact CE1-CD1 3.32Å; Y110-F355 HydrophobicContact CE1-CD1 3.32Å; Y110-F355 AromaticContact CE1-CE1 3.92Å; Y110-F355 HydrophobicContact CE1-CE1 3.92Å; Y110-F355 AromaticContact CE1-CG 3.79Å; Y110-F355 HydrophobicContact CE1-CG 3.79Å; Y110-F355 HydrophobicContact CE2-CD1 4.14Å; Y110-F355 AromaticContact CE2-CE1 3.93Å; Y110-F355 HydrophobicContact CE2-CE1 3.93Å; Y110-F355 HydrophobicContact CE2-CZ 4.31Å; Y110-F355 AromaticContact CG-CD1 3.98Å; Y110-F355 HydrophobicContact CG-CD1 3.98Å; Y110-F355 AromaticContact CG-CE1 3.87Å; Y110-F355 HydrophobicContact CG-CE1 3.87Å; Y110-F355 AromaticContact CZ-CD1 3.67Å; Y110-F355 AromaticContact CZ-CE1 3.93Å; Y110-F355 AromaticContact CZ-CG 3.96Å |
| 111 | G | 93.5 | Very high | 93.6 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 12% | 0.119 | C | C | . | . | S | Bend | trans | 157.7 | 176.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | K117 S271 T338 | G111-K117 WeakPolarHBondContact O-CD 3.41Å; G111-K117 WeakPolarHBondContact O-CE 3.48Å; G111-K117 PolarHBondContact O-NZ 3.44Å; G111-S271 PolarHBondContact O-N 2.96Å; G111-S271 VanDerWaalsContact O-N 3.08Å; G111-S271 PolarHBondContact O-OG 2.84Å; G111-T338 WeakPolarHBondContact CA-O 3.45Å |
| 112 | Q | 91.1 | Very high | 93.6 | Very high | 8 Ų | 8 | 18.4 Ų | 18.4 | 4% | 0.037 | 11% | 0.105 | C | C | . | . | S | Bend | trans | -63.8 | 161.3 | -178.8 | 63.6 | -179.3 | 106.7 | 0 | 0 | 113 | S115 K117 S271 E272 N345 E348 | Q112-S115 VanDerWaalsContact O-CB 3.26Å; Q112-S115 WeakPolarHBondContact O-CB 3.24Å; Q112-S115 PolarHBondContact O-N 3.3Å; Q112-S115 PolarHBondContact O-OG 2.87Å; Q112-K117 VanDerWaalsContact C-NZ 3.26Å; Q112-K117 PolarHBondContact O-NZ 3.02Å; Q112-S271 PolarHBondContact N-OG 3.43Å; Q112-E272 VanDerWaalsContact CA-OE2 3.23Å; Q112-E272 WeakPolarHBondContact CA-OE2 3.46Å; Q112-E272 HydrophobicContact CB-CB 4.27Å; Q112-N345 PolarHBondContact NE2-OD1 3.5Å; Q112-N345 PolarHBondContact OE1-O 3Å; Q112-E348 HydrophobicContact CB-CB 4.16Å; Q112-E348 HydrophobicContact CG-CB 4.46Å |
| 113 | T | 88.9 | Confident | 93.4 | Very high | 45 Ų | 45 | 19.3 Ų | 19.3 | 28% | 0.276 | 11% | 0.113 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | 138.1 | 169.8 | -65.9 | 0 | 0 | 0 | 0 | 110.1 | S115 T238 G270 E272 | T113-S115 PolarHBondContact O-N 3.43Å; T113-T238 HydrophobicContact CG2-CG2 3.56Å; T113-G270 WeakPolarHBondContact OG1-CA 3.27Å; T113-E272 WeakPolarHBondContact CB-OE1 3.46Å; T113-E272 PolarHBondContact N-OE2 3.08Å; T113-E272 VanDerWaalsContact OG1-CD 3.32Å; T113-E272 PolarHBondContact OG1-OE1 3.05Å; T113-E272 PolarHBondContact OG1-OE2 3.21Å |
| 114 | G | 87.1 | Confident | 92.7 | Very high | 37 Ų | 37 | 17.6 Ų | 17.6 | 38% | 0.381 | 11% | 0.113 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 69.1 | 12.3 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | R13 G116 | R13-G114 WeakPolarHBondContact CD-O 3.22Å; R13-G114 PolarHBondContact NH1-O 3.09Å; G114-G116 VanDerWaalsContact C-N 3.33Å |
| 115 | S | 91 | Very high | 91.5 | Very high | 3 Ų | 3 | 22.2 Ų | 22.2 | 2% | 0.021 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -82.8 | -8.2 | 170.5 | 61.3 | 0 | 0 | 0 | 0 | 114.3 | R13 Q112 T113 T338 | R13-S115 WeakPolarHBondContact CB-O 3.45Å; Q112-S115 VanDerWaalsContact O-CB 3.26Å; Q112-S115 WeakPolarHBondContact O-CB 3.24Å; Q112-S115 PolarHBondContact O-N 3.3Å; Q112-S115 PolarHBondContact O-OG 2.87Å; T113-S115 PolarHBondContact O-N 3.43Å; S115-T338 VanDerWaalsContact CB-O 3.25Å; S115-T338 WeakPolarHBondContact CB-O 3.44Å; S115-T338 PolarHBondContact OG-O 3.48Å; S115-T338 PolarHBondContact OG-OG1 3.47Å |
| 116 | G | 91.7 | Very high | 90.3 | Very high | 18 Ų | 18 | 30.5 Ų | 30.5 | 19% | 0.186 | 19% | 0.192 | C | C | . | . | S | Bend | trans | 99.4 | 23.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | G114 T120 | G114-G116 VanDerWaalsContact C-N 3.33Å; G116-T120 WeakPolarHBondContact O-CB 3.43Å; G116-T120 PolarHBondContact O-N 2.96Å; G116-T120 PolarHBondContact O-OG1 3.48Å |
| 117 | K | 94.1 | Very high | 89.5 | Confident | 12 Ų | 12 | 35.9 Ų | 35.9 | 5% | 0.052 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -56.1 | -63.1 | 174.4 | -61.9 | -175.5 | -64.9 | -72 | 0 | 112.6 | A109 G111 Q112 Y119 T120 I121 D267 L268 A269 T338 | A109-K117 HydrophobicContact CB-CB 4Å; A109-K117 HydrophobicContact CB-CG 4.26Å; G111-K117 WeakPolarHBondContact O-CD 3.41Å; G111-K117 WeakPolarHBondContact O-CE 3.48Å; G111-K117 PolarHBondContact O-NZ 3.44Å; Q112-K117 VanDerWaalsContact C-NZ 3.26Å; Q112-K117 PolarHBondContact O-NZ 3.02Å; K117-Y119 VanDerWaalsContact C-N 3.28Å; K117-Y119 PolarHBondContact O-N 2.86Å; K117-T120 WeakPolarHBondContact O-CA 3.49Å; K117-T120 WeakPolarHBondContact O-CB 3.48Å; K117-T120 PolarHBondContact O-N 3.36Å; K117-I121 PolarHBondContact O-N 3.35Å; K117-D267 WeakPolarHBondContact CB-OD1 3.42Å; K117-L268 WeakPolarHBondContact CD-O 3.32Å; K117-L268 WeakPolarHBondContact CE-O 3.41Å; K117-A269 WeakPolarHBondContact CE-O 3.45Å; K117-T338 HydrophobicContact CG-CG2 4.46Å; K117-T338 WeakPolarHBondContact CG-OG1 3.41Å |
| 118 | T | 92.1 | Very high | 88.6 | Confident | 57 Ų | 57 | 44.2 Ų | 44.2 | 35% | 0.35 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -59.7 | -38.6 | 178.5 | -45.9 | 0 | 0 | 0 | 0 | 112.1 | T120 I121 T122 G123 D267 | T118-T120 VanDerWaalsContact C-N 3.3Å; T118-T120 PolarHBondContact O-N 2.92Å; T118-I121 PolarHBondContact O-N 2.95Å; T118-T122 WeakPolarHBondContact O-CB 2.97Å; T118-T122 PolarHBondContact O-N 3.35Å; T118-G123 PolarHBondContact O-N 3.38Å; T118-D267 WeakPolarHBondContact CA-OD2 3.45Å; T118-D267 WeakPolarHBondContact CB-OD2 3.49Å; T118-D267 PolarHBondContact N-OD1 3.34Å; T118-D267 PolarHBondContact OG1-OD2 3.45Å |
| 119 | Y | 92.4 | Very high | 88.1 | Confident | 99 Ų | 99 | 47.7 Ų | 47.7 | 39% | 0.388 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -60.5 | -39.7 | 172.4 | -177.6 | -99.4 | 0 | 0 | 0 | 111.6 | Q84 K117 G123 E130 | Q84-Y119 HydrophobicContact CG-CE1 4.2Å; Q84-Y119 PolarHBondContact NE2-O 3.47Å; K117-Y119 VanDerWaalsContact C-N 3.28Å; K117-Y119 PolarHBondContact O-N 2.86Å; Y119-G123 WeakPolarHBondContact O-CA 3.42Å; Y119-G123 PolarHBondContact O-N 3.02Å; Y119-G123 VanDerWaalsContact O-N 3.13Å; Y119-E130 HydrophobicContact CE2-CB 4.42Å |
| 120 | T | 95.1 | Very high | 87.7 | Confident | 1 Ų | 1 | 49.8 Ų | 49.8 | 1% | 0.006 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -69.6 | -44.4 | 178 | -58.1 | 0 | 0 | 0 | 0 | 112.4 | R11 V87 G116 K117 T118 G132 I133 I336 | R11-T120 WeakPolarHBondContact CD-OG1 3.48Å; R11-T120 VanDerWaalsContact NH1-CB 3.33Å; R11-T120 PolarHBondContact NH1-OG1 3.16Å; V87-T120 HydrophobicContact CG1-CG2 4.24Å; G116-T120 WeakPolarHBondContact O-CB 3.43Å; G116-T120 PolarHBondContact O-N 2.96Å; G116-T120 PolarHBondContact O-OG1 3.48Å; K117-T120 WeakPolarHBondContact O-CA 3.49Å; K117-T120 WeakPolarHBondContact O-CB 3.48Å; K117-T120 PolarHBondContact O-N 3.36Å; T118-T120 VanDerWaalsContact C-N 3.3Å; T118-T120 PolarHBondContact O-N 2.92Å; T120-G132 WeakPolarHBondContact O-CA 3.5Å; T120-I133 HydrophobicContact CG2-CD1 3.94Å; T120-I133 WeakPolarHBondContact O-CG1 3.23Å; T120-I133 PolarHBondContact O-N 2.89Å; T120-I336 HydrophobicContact CG2-CD1 3.72Å; T120-I336 HydrophobicContact CG2-CG2 4.29Å |
| 121 | I | 95.5 | Very high | 87.5 | Confident | 2 Ų | 2 | 52.9 Ų | 52.9 | 1% | 0.01 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -78.2 | -55.2 | -174.4 | -63.4 | -63.3 | 0 | 0 | 0 | 111.3 | A109 K117 T118 G132 I133 I134 D267 | A109-I121 HydrophobicContact CB-CD1 3.87Å; A109-I121 HydrophobicContact CB-CG1 3.6Å; K117-I121 PolarHBondContact O-N 3.35Å; T118-I121 PolarHBondContact O-N 2.95Å; I121-G132 CarbonylContact O-C 3.56Å; I121-I133 HydrophobicContact CD1-CD1 4.4Å; I121-I133 PolarHBondContact O-N 3.38Å; I121-I134 HydrophobicContact CG2-CD1 3.47Å; I121-I134 VanDerWaalsContact CG2-CD1 3.47Å; I121-I134 HydrophobicContact CG2-CG1 3.71Å; I121-I134 WeakPolarHBondContact O-CG1 3.29Å; I121-I134 PolarHBondContact O-N 2.88Å; I121-D267 HydrophobicContact CB-CB 4.35Å; I121-D267 HydrophobicContact CG1-CB 4.32Å; I121-D267 HydrophobicContact CG2-CB 4.26Å |
| 122 | T | 91.9 | Very high | 87.5 | Confident | 23 Ų | 23 | 52.9 Ų | 52.9 | 14% | 0.141 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | -47.4 | -175.9 | -52.8 | 0 | 0 | 0 | 0 | 111.6 | T118 G132 P135 D223 | T118-T122 WeakPolarHBondContact O-CB 2.97Å; T118-T122 PolarHBondContact O-N 3.35Å; T122-G132 WeakPolarHBondContact O-CA 3.43Å; T122-G132 PolarHBondContact O-N 3.24Å; T122-P135 WeakPolarHBondContact O-CD 3.01Å; T122-P135 WeakPolarHBondContact O-CG 3.42Å; T122-D223 VanDerWaalsContact CG2-OD2 3.24Å; T122-D223 WeakPolarHBondContact CG2-OD2 3.46Å |
| 123 | G | 88.8 | Confident | 87.8 | Confident | 18 Ų | 18 | 52.6 Ų | 52.6 | 19% | 0.186 | 29% | 0.293 | C | S | . | . | B | Isolated β-bridge | trans | 105.2 | -176.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | T118 Y119 E130 G132 | T118-G123 PolarHBondContact O-N 3.38Å; Y119-G123 WeakPolarHBondContact O-CA 3.42Å; Y119-G123 PolarHBondContact O-N 3.02Å; Y119-G123 VanDerWaalsContact O-N 3.13Å; G123-E130 CarbonylContact C-O 3.58Å; G123-E130 WeakPolarHBondContact CA-O 3.31Å; G123-G132 VanDerWaalsContact CA-N 3.29Å |
| 124 | G | 81.5 | Confident | 88.2 | Confident | 21 Ų | 21 | 50.6 Ų | 50.6 | 22% | 0.216 | 28% | 0.28 | C | S | . | . | trans | -80.8 | 148.5 | 170 | 0 | 0 | 0 | 0 | 0 | 112.1 | E130 | G124-E130 PolarHBondContact N-O 3.46Š| ||
| 125 | A | 69.8 | Low | 88.6 | Confident | 113 Ų | 113 | 49.1 Ų | 49.1 | 93% | 0.934 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -76.8 | -25.3 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 126 | E | 70.2 | Confident | 88.8 | Confident | 174 Ų | 174 | 51.5 Ų | 51.5 | 81% | 0.813 | 27% | 0.273 | S | S | * | . | S | Bend | trans | -91.8 | -43.7 | -165.1 | -61.1 | -174.2 | 171.9 | 0 | 0 | 113.9 | ||
| 127 | K | 78.2 | Confident | 89.1 | Confident | 113 Ų | 113 | 50.6 Ų | 50.6 | 49% | 0.491 | 26% | 0.264 | S | S | . | . | trans | -114 | 138.6 | -171.7 | -55.1 | -167.3 | -162.4 | 111.8 | 0 | 112.4 | S129 E130 | K127-S129 PolarHBondContact O-N 3.35Å; K127-E130 HydrophobicContact CB-CB 4.28Å; K127-E130 HydrophobicContact CB-CG 3.96Å; K127-E130 WeakPolarHBondContact CD-OE1 3.47Å; K127-E130 IonicContact NZ-OE1 2.58Å; K127-E130 PolarHBondContact NZ-OE1 3.04Å; K127-E130 WeakPolarHBondContact O-CB 3.34Å; K127-E130 PolarHBondContact O-N 2.93Å | ||
| 128 | Y | 79.4 | Confident | 89.2 | Confident | 176 Ų | 176 | 50 Ų | 50 | 69% | 0.69 | 26% | 0.261 | S | S | * | . | G | 310 helix | trans | -57.1 | -36.3 | 173.3 | -81.6 | -90.6 | 0 | 0 | 0 | 113.3 | E130 R131 | Y128-E130 PolarHBondContact O-N 2.84Å; Y128-R131 WeakPolarHBondContact O-CB 3.49Å; Y128-R131 WeakPolarHBondContact O-CG 3.45Å; Y128-R131 PolarHBondContact O-N 3.31Å |
| 129 | S | 85.3 | Confident | 89.3 | Confident | 75 Ų | 75 | 49.4 Ų | 49.4 | 52% | 0.524 | 26% | 0.262 | S | S | . | . | G | 310 helix | trans | -66.1 | -25 | 176.5 | 51.3 | 0 | 0 | 0 | 0 | 113.1 | K127 R136 | K127-S129 PolarHBondContact O-N 3.35Å; S129-R136 PolarHBondContact O-NH2 3.25Å |
| 130 | E | 87.8 | Confident | 89.5 | Confident | 44 Ų | 44 | 47.2 Ų | 47.2 | 21% | 0.206 | 25% | 0.253 | C | S | . | . | G | 310 helix | trans | -89.1 | -4.5 | -177.7 | -65.3 | 173.1 | -163.7 | 0 | 0 | 113.1 | Q84 Y119 G123 G124 K127 Y128 G132 | Q84-E130 PolarHBondContact NE2-O 3.5Å; Y119-E130 HydrophobicContact CE2-CB 4.42Å; G123-E130 CarbonylContact C-O 3.58Å; G123-E130 WeakPolarHBondContact CA-O 3.31Å; G124-E130 PolarHBondContact N-O 3.46Å; K127-E130 HydrophobicContact CB-CB 4.28Å; K127-E130 HydrophobicContact CB-CG 3.96Å; K127-E130 WeakPolarHBondContact CD-OE1 3.47Å; K127-E130 IonicContact NZ-OE1 2.58Å; K127-E130 PolarHBondContact NZ-OE1 3.04Å; K127-E130 WeakPolarHBondContact O-CB 3.34Å; K127-E130 PolarHBondContact O-N 2.93Å; Y128-E130 PolarHBondContact O-N 2.84Å; E130-G132 PolarHBondContact O-N 2.95Å |
| 131 | R | 91.9 | Very high | 89.7 | Confident | 72 Ų | 72 | 47.1 Ų | 47.1 | 27% | 0.272 | 25% | 0.253 | S | S | . | . | B | Isolated β-bridge | trans | -54.6 | 133.2 | 174 | -76.7 | -176.2 | 176.2 | -160 | 0.9 | 111.1 | Q84 Y128 P135 R136 | Q84-R131 VanDerWaalsContact CB-O 3.23Å; Q84-R131 WeakPolarHBondContact CB-O 3.4Å; Y128-R131 WeakPolarHBondContact O-CB 3.49Å; Y128-R131 WeakPolarHBondContact O-CG 3.45Å; Y128-R131 PolarHBondContact O-N 3.31Å; R131-P135 HydrophobicContact CB-CB 4.32Å; R131-P135 HydrophobicContact CB-CG 3.72Å; R131-P135 HydrophobicContact CG-CB 4.38Å; R131-P135 HydrophobicContact CG-CG 4.12Å; R131-R136 PolarHBondContact O-NE 3.43Å |
| 132 | G | 94.4 | Very high | 89.7 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 26% | 0.255 | C | S | . | . | trans | -82.2 | -162.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113 | T120 I121 T122 G123 E130 P135 R136 | T120-G132 WeakPolarHBondContact O-CA 3.5Å; I121-G132 CarbonylContact O-C 3.56Å; T122-G132 WeakPolarHBondContact O-CA 3.43Å; T122-G132 PolarHBondContact O-N 3.24Å; G123-G132 VanDerWaalsContact CA-N 3.29Å; E130-G132 PolarHBondContact O-N 2.95Å; G132-P135 WeakPolarHBondContact O-CG 3.43Å; G132-R136 WeakPolarHBondContact O-CB 3.22Å; G132-R136 WeakPolarHBondContact O-CD 3.3Å; G132-R136 VanDerWaalsContact O-CG 3.25Å; G132-R136 WeakPolarHBondContact O-CG 3.47Å; G132-R136 PolarHBondContact O-N 3.2Å | ||
| 133 | I | 97 | Very high | 89.9 | Confident | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.005 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -64.5 | -44.3 | -177.6 | -68.7 | 172.3 | 0 | 0 | 0 | 112.4 | V87 A92 I107 T120 I121 R136 C137 L265 I336 | V87-I133 HydrophobicContact CG1-CD1 4.47Å; A92-I133 HydrophobicContact CB-CG2 3.84Å; I107-I133 HydrophobicContact CD1-CG2 4.23Å; I107-I133 HydrophobicContact CG2-CD1 4.21Å; T120-I133 HydrophobicContact CG2-CD1 3.94Å; T120-I133 WeakPolarHBondContact O-CG1 3.23Å; T120-I133 PolarHBondContact O-N 2.89Å; I121-I133 HydrophobicContact CD1-CD1 4.4Å; I121-I133 PolarHBondContact O-N 3.38Å; I133-R136 PolarHBondContact O-N 3.4Å; I133-C137 WeakPolarHBondContact O-CB 3.32Å; I133-C137 PolarHBondContact O-N 2.85Å; I133-L265 HydrophobicContact CG2-CD2 4.16Å; I133-I336 HydrophobicContact CD1-CD1 3.3Å |
| 134 | I | 96.7 | Very high | 90.2 | Very high | 3 Ų | 3 | 51.5 Ų | 51.5 | 2% | 0.015 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -58.5 | -59.2 | -177 | -58.1 | 172.7 | 0 | 0 | 0 | 111.8 | I121 R136 C137 L138 L219 F244 L265 | I121-I134 HydrophobicContact CG2-CD1 3.47Å; I121-I134 VanDerWaalsContact CG2-CD1 3.47Å; I121-I134 HydrophobicContact CG2-CG1 3.71Å; I121-I134 WeakPolarHBondContact O-CG1 3.29Å; I121-I134 PolarHBondContact O-N 2.88Å; I134-R136 VanDerWaalsContact C-N 3.29Å; I134-R136 PolarHBondContact O-N 3.48Å; I134-C137 WeakPolarHBondContact O-CB 3.42Å; I134-C137 PolarHBondContact O-N 2.93Å; I134-C137 VanDerWaalsContact O-N 3.13Å; I134-L138 HydrophobicContact CG2-CD1 4.22Å; I134-L138 WeakPolarHBondContact O-CG 3.45Å; I134-L138 PolarHBondContact O-N 2.89Å; I134-L219 HydrophobicContact CB-CD2 4.24Å; I134-L219 HydrophobicContact CD1-CD1 4.15Å; I134-L219 HydrophobicContact CG2-CD1 4.07Å; I134-L219 HydrophobicContact CG2-CD2 3.75Å; I134-L219 HydrophobicContact CG2-CG 4.44Å; I134-F244 HydrophobicContact CD1-CB 3.97Å; I134-F244 HydrophobicContact CD1-CG 4.16Å; I134-F244 HydrophobicContact CG2-CD1 3.8Å; I134-F244 HydrophobicContact CG2-CE1 3.67Å; I134-F244 HydrophobicContact CG2-CG 4.26Å; I134-F244 HydrophobicContact CG2-CZ 4.05Å; I134-L265 HydrophobicContact CB-CD1 4.08Å; I134-L265 HydrophobicContact CD1-CB 4.42Å; I134-L265 HydrophobicContact CG1-CB 3.91Å; I134-L265 HydrophobicContact CG1-CD1 3.65Å; I134-L265 HydrophobicContact CG1-CG 4.41Å; I134-L265 HydrophobicContact CG2-CD1 4.16Å |
| 135 | P | 95.4 | Very high | 90.8 | Very high | 7 Ų | 7 | 52 Ų | 52 | 5% | 0.045 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -63.8 | -33.4 | -177.4 | 24.5 | -36.5 | 0 | 0 | 0 | 113.2 | T122 R131 G132 A139 L216 | T122-P135 WeakPolarHBondContact O-CD 3.01Å; T122-P135 WeakPolarHBondContact O-CG 3.42Å; R131-P135 HydrophobicContact CB-CB 4.32Å; R131-P135 HydrophobicContact CB-CG 3.72Å; R131-P135 HydrophobicContact CG-CB 4.38Å; R131-P135 HydrophobicContact CG-CG 4.12Å; G132-P135 WeakPolarHBondContact O-CG 3.43Å; P135-A139 PolarHBondContact O-N 3.3Å; P135-A139 VanDerWaalsContact O-N 3.14Å; P135-L216 HydrophobicContact CB-CD2 3.6Å |
| 136 | R | 95.4 | Very high | 91.9 | Very high | 52 Ų | 52 | 53.7 Ų | 53.7 | 20% | 0.196 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -69.8 | -36.9 | 174.8 | -69.7 | 175.2 | -179.2 | -85.5 | 3 | 112 | F88 S129 R131 G132 I133 I134 A139 Y140 | F88-R136 HydrophobicContact CB-CB 4.45Å; F88-R136 HydrophobicContact CD1-CB 4.27Å; F88-R136 HydrophobicContact CD2-CB 3.52Å; F88-R136 HydrophobicContact CE1-CB 4.45Å; F88-R136 HydrophobicContact CE2-CB 3.74Å; F88-R136 HydrophobicContact CG-CB 3.81Å; F88-R136 HydrophobicContact CZ-CB 4.21Å; S129-R136 PolarHBondContact O-NH2 3.25Å; R131-R136 PolarHBondContact O-NE 3.43Å; G132-R136 WeakPolarHBondContact O-CB 3.22Å; G132-R136 WeakPolarHBondContact O-CD 3.3Å; G132-R136 VanDerWaalsContact O-CG 3.25Å; G132-R136 WeakPolarHBondContact O-CG 3.47Å; G132-R136 PolarHBondContact O-N 3.2Å; I133-R136 PolarHBondContact O-N 3.4Å; I134-R136 VanDerWaalsContact C-N 3.29Å; I134-R136 PolarHBondContact O-N 3.48Å; R136-A139 PolarHBondContact O-N 2.98Å; R136-Y140 WeakPolarHBondContact O-CB 3.14Å; R136-Y140 PolarHBondContact O-N 2.77Å |
| 137 | C | 97.2 | Very high | 93 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62.7 | -47.6 | 175.1 | 174.8 | 0 | 0 | 0 | 0 | 111 | F88 I96 I133 I134 A139 Y140 L141 L263 L265 | F88-C137 HydrophobicContact CE2-CB 4.03Å; I96-C137 HydrophobicContact CD1-CB 3.82Å; I96-C137 VanDerWaalsContact CD1-SG 3.58Å; I133-C137 WeakPolarHBondContact O-CB 3.32Å; I133-C137 PolarHBondContact O-N 2.85Å; I134-C137 WeakPolarHBondContact O-CB 3.42Å; I134-C137 PolarHBondContact O-N 2.93Å; I134-C137 VanDerWaalsContact O-N 3.13Å; C137-A139 PolarHBondContact O-N 3.37Å; C137-Y140 PolarHBondContact O-N 2.92Å; C137-L141 WeakPolarHBondContact O-CB 3.29Å; C137-L141 VanDerWaalsContact O-CG 3.3Å; C137-L141 WeakPolarHBondContact O-CG 3.49Å; C137-L141 PolarHBondContact O-N 3.17Å; C137-L263 WeakPolarHBondContact SG-CD2 3.44Å; C137-L265 HydrophobicContact CB-CD1 4.27Å |
| 138 | L | 97 | Very high | 93.7 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -58.9 | -49.1 | 176.8 | -67.6 | 173.9 | 0 | 0 | 0 | 111.3 | I134 Y140 L141 F142 I157 A215 L216 F244 I246 | I134-L138 HydrophobicContact CG2-CD1 4.22Å; I134-L138 WeakPolarHBondContact O-CG 3.45Å; I134-L138 PolarHBondContact O-N 2.89Å; L138-Y140 VanDerWaalsContact C-N 3.33Å; L138-Y140 PolarHBondContact O-N 3.34Å; L138-L141 PolarHBondContact O-N 3.29Å; L138-F142 VanDerWaalsContact O-CD2 3.28Å; L138-F142 WeakPolarHBondContact O-CD2 3.14Å; L138-F142 PolarHBondContact O-N 2.91Å; L138-F142 VanDerWaalsContact O-N 3.12Å; L138-I157 HydrophobicContact CD2-CD1 4.09Å; L138-A215 HydrophobicContact CD1-CB 3.93Å; L138-A215 HydrophobicContact CD2-CB 3.9Å; L138-A215 HydrophobicContact CG-CB 4.35Å; L138-L216 HydrophobicContact CD1-CD2 3.98Å; L138-L216 HydrophobicContact CD1-CG 4.46Å; L138-F244 HydrophobicContact CD1-CZ 4.36Å; L138-F244 HydrophobicContact CD2-CE1 4.49Å; L138-I246 HydrophobicContact CD2-CD1 3.75Å; L138-I246 HydrophobicContact CD2-CG1 4.32Å |
| 139 | A | 94.9 | Very high | 94.2 | Very high | 43 Ų | 43 | 46.8 Ų | 46.8 | 36% | 0.355 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -59.1 | -42.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | P135 R136 C137 D143 T212 | P135-A139 PolarHBondContact O-N 3.3Å; P135-A139 VanDerWaalsContact O-N 3.14Å; R136-A139 PolarHBondContact O-N 2.98Å; C137-A139 PolarHBondContact O-N 3.37Å; A139-D143 VanDerWaalsContact O-CB 3.27Å; A139-D143 WeakPolarHBondContact O-CB 3.48Å; A139-D143 PolarHBondContact O-N 3.38Å; A139-T212 HydrophobicContact CB-CG2 4.29Å |
| 140 | Y | 96.9 | Very high | 94.4 | Very high | 53 Ų | 53 | 47.7 Ų | 47.7 | 21% | 0.208 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -66.6 | -38.8 | 178.1 | -175.8 | -97.9 | 0 | 0 | 0 | 113 | F88 K93 I96 D97 L100 R136 C137 L138 H144 | F88-Y140 HydrophobicContact CE1-CD2 4.46Å; F88-Y140 HydrophobicContact CE1-CG 4.42Å; F88-Y140 HydrophobicContact CZ-CG 4.11Å; K93-Y140 WeakPolarHBondContact CE-OH 3.37Å; K93-Y140 HydrophobicContact CG-CE2 4.46Å; I96-Y140 HydrophobicContact CB-CD1 4.4Å; I96-Y140 HydrophobicContact CB-CE1 4.48Å; I96-Y140 HydrophobicContact CG2-CD1 3.65Å; I96-Y140 HydrophobicContact CG2-CE1 3.95Å; D97-Y140 WeakPolarHBondContact OD1-CE1 3.3Å; D97-Y140 PolarHBondContact OD1-OH 3.4Å; L100-Y140 HydrophobicContact CD1-CE1 4.32Å; R136-Y140 WeakPolarHBondContact O-CB 3.14Å; R136-Y140 PolarHBondContact O-N 2.77Å; C137-Y140 PolarHBondContact O-N 2.92Å; L138-Y140 VanDerWaalsContact C-N 3.33Å; L138-Y140 PolarHBondContact O-N 3.34Å; Y140-H144 WeakPolarHBondContact O-CB 3.48Å; Y140-H144 PolarHBondContact O-N 2.98Å |
| 141 | L | 97.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63.7 | -49.2 | 177.8 | -75.4 | 171.9 | 0 | 0 | 0 | 111.4 | I96 L100 C137 L138 H144 F145 L155 I246 I248 | I96-L141 HydrophobicContact CG2-CD2 3.56Å; I96-L141 HydrophobicContact CG2-CG 4.06Å; L100-L141 HydrophobicContact CD1-CD2 4.41Å; L100-L141 HydrophobicContact CD2-CD2 3.61Å; L100-L141 HydrophobicContact CG-CD2 3.93Å; C137-L141 WeakPolarHBondContact O-CB 3.29Å; C137-L141 VanDerWaalsContact O-CG 3.3Å; C137-L141 WeakPolarHBondContact O-CG 3.49Å; C137-L141 PolarHBondContact O-N 3.17Å; L138-L141 PolarHBondContact O-N 3.29Å; L141-H144 WeakPolarHBondContact O-CB 3.26Å; L141-H144 PolarHBondContact O-N 3.41Å; L141-F145 HydrophobicContact CB-CE2 4.31Å; L141-F145 HydrophobicContact CB-CZ 4.11Å; L141-F145 HydrophobicContact CD2-CZ 4.44Å; L141-F145 WeakPolarHBondContact O-CD1 3.23Å; L141-F145 WeakPolarHBondContact O-CG 3.4Å; L141-F145 PolarHBondContact O-N 3.29Å; L141-L155 HydrophobicContact CB-CD1 4.41Å; L141-L155 HydrophobicContact CD1-CD1 3.97Å; L141-I246 HydrophobicContact CD1-CD1 4.07Å; L141-I246 HydrophobicContact CD1-CG2 4.06Å; L141-I248 HydrophobicContact CD1-CD1 4.03Å; L141-I248 HydrophobicContact CD2-CD1 3.62Å |
| 142 | F | 96.9 | Very high | 94.6 | Very high | 12 Ų | 12 | 47.8 Ų | 47.8 | 5% | 0.053 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -68.6 | -38.1 | 179.5 | -77.7 | -73.2 | 0 | 0 | 0 | 112.6 | L138 H144 F145 E146 L155 A209 S210 T211 T212 A215 | L138-F142 VanDerWaalsContact O-CD2 3.28Å; L138-F142 WeakPolarHBondContact O-CD2 3.14Å; L138-F142 PolarHBondContact O-N 2.91Å; L138-F142 VanDerWaalsContact O-N 3.12Å; F142-H144 PolarHBondContact O-N 2.86Å; F142-F145 AromaticContact CD1-CD2 3.72Å; F142-F145 HydrophobicContact CD1-CD2 3.72Å; F142-F145 HydrophobicContact CD1-CE2 4.23Å; F142-F145 HydrophobicContact CE1-CD2 4.08Å; F142-F145 HydrophobicContact CE1-CE2 4.27Å; F142-F145 HydrophobicContact CG-CD2 4.28Å; F142-F145 PolarHBondContact O-N 2.9Å; F142-F145 VanDerWaalsContact O-N 3.1Å; F142-E146 WeakPolarHBondContact O-CG 3.48Å; F142-E146 PolarHBondContact O-N 3.05Å; F142-L155 HydrophobicContact CE2-CD1 4.14Å; F142-L155 HydrophobicContact CE2-CD2 4.45Å; F142-L155 HydrophobicContact CZ-CB 4.41Å; F142-L155 HydrophobicContact CZ-CD1 4.17Å; F142-L155 HydrophobicContact CZ-CD2 4.19Å; F142-A209 HydrophobicContact CZ-CB 4.37Å; F142-S210 VanDerWaalsContact CE1-C 3.48Å; F142-S210 VanDerWaalsContact CE1-O 3.28Å; F142-S210 WeakPolarHBondContact CE1-O 3.43Å; F142-T211 WeakPolarHBondContact CE2-O 3.39Å; F142-T211 VanDerWaalsContact CZ-C 3.49Å; F142-T211 WeakPolarHBondContact CZ-O 3.42Å; F142-T212 WeakPolarHBondContact CB-OG1 3.47Å; F142-T212 VanDerWaalsContact CD2-CA 3.47Å; F142-T212 HydrophobicContact CD2-CG2 4.46Å; F142-T212 WeakPolarHBondContact CD2-OG1 3.32Å; F142-T212 WeakPolarHBondContact CG-OG1 3.41Å; F142-A215 HydrophobicContact CE2-CB 3.73Å; F142-A215 HydrophobicContact CZ-CB 4.33Å |
| 143 | D | 96.1 | Very high | 94.6 | Very high | 66 Ų | 66 | 49.7 Ų | 49.7 | 35% | 0.353 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -58.6 | -35.5 | 171.2 | 175 | 76.7 | 0 | 0 | 0 | 111.8 | A139 K147 | A139-D143 VanDerWaalsContact O-CB 3.27Å; A139-D143 WeakPolarHBondContact O-CB 3.48Å; A139-D143 PolarHBondContact O-N 3.38Å; D143-K147 WeakPolarHBondContact O-CD 3.46Å; D143-K147 VanDerWaalsContact O-CG 3.27Å; D143-K147 WeakPolarHBondContact O-CG 3.35Å; D143-K147 PolarHBondContact O-N 3.26Å; D143-K147 WeakPolarHBondContact OD1-CE 3.35Å; D143-K147 IonicContact OD1-NZ 2.73Å; D143-K147 PolarHBondContact OD1-NZ 3.48Å; D143-K147 WeakPolarHBondContact OD2-CE 3.47Å; D143-K147 IonicContact OD2-NZ 2.76Å; D143-K147 PolarHBondContact OD2-NZ 2.93Å |
| 144 | H | 95.1 | Very high | 94.5 | Very high | 57 Ų | 57 | 52.1 Ų | 52.1 | 26% | 0.264 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -69.8 | -43.2 | 172.7 | -171.2 | 84.9 | 0 | 0 | 0 | 112.5 | L100 Y140 L141 F142 E146 K147 D148 | L100-H144 HydrophobicContact CD1-CB 4.03Å; Y140-H144 WeakPolarHBondContact O-CB 3.48Å; Y140-H144 PolarHBondContact O-N 2.98Å; L141-H144 WeakPolarHBondContact O-CB 3.26Å; L141-H144 PolarHBondContact O-N 3.41Å; F142-H144 PolarHBondContact O-N 2.86Å; H144-E146 VanDerWaalsContact C-N 3.26Å; H144-E146 PolarHBondContact O-N 3.29Å; H144-K147 PolarHBondContact O-N 3.37Å; H144-K147 VanDerWaalsContact O-N 3.14Å; H144-D148 PolarHBondContact O-N 2.86Å |
| 145 | F | 94.7 | Very high | 94.6 | Very high | 32 Ų | 32 | 52.2 Ų | 52.2 | 14% | 0.14 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -61.5 | -35 | 178.7 | -58.3 | -20.1 | 0 | 0 | 0 | 112.3 | L100 L141 F142 Y153 L155 I248 | L100-F145 HydrophobicContact CD2-CD1 4.29Å; L100-F145 HydrophobicContact CD2-CE1 3.59Å; L100-F145 HydrophobicContact CD2-CZ 4.48Å; L141-F145 HydrophobicContact CB-CE2 4.31Å; L141-F145 HydrophobicContact CB-CZ 4.11Å; L141-F145 HydrophobicContact CD2-CZ 4.44Å; L141-F145 WeakPolarHBondContact O-CD1 3.23Å; L141-F145 WeakPolarHBondContact O-CG 3.4Å; L141-F145 PolarHBondContact O-N 3.29Å; F142-F145 AromaticContact CD1-CD2 3.72Å; F142-F145 HydrophobicContact CD1-CD2 3.72Å; F142-F145 HydrophobicContact CD1-CE2 4.23Å; F142-F145 HydrophobicContact CE1-CD2 4.08Å; F142-F145 HydrophobicContact CE1-CE2 4.27Å; F142-F145 HydrophobicContact CG-CD2 4.28Å; F142-F145 PolarHBondContact O-N 2.9Å; F142-F145 VanDerWaalsContact O-N 3.1Å; F145-Y153 HydrophobicContact CB-CD2 4.25Å; F145-Y153 HydrophobicContact CB-CG 4.45Å; F145-Y153 VanDerWaalsContact CD1-CB 3.47Å; F145-Y153 AromaticContact CD1-CD1 3.53Å; F145-Y153 HydrophobicContact CD1-CD1 3.53Å; F145-Y153 AromaticContact CD1-CD2 3.6Å; F145-Y153 HydrophobicContact CD1-CD2 3.6Å; F145-Y153 HydrophobicContact CD1-CE1 4.13Å; F145-Y153 HydrophobicContact CD1-CE2 4.2Å; F145-Y153 AromaticContact CD1-CG 3.23Å; F145-Y153 HydrophobicContact CD1-CG 3.23Å; F145-Y153 AromaticContact CE1-CD1 3.36Å; F145-Y153 HydrophobicContact CE1-CD1 3.36Å; F145-Y153 HydrophobicContact CE1-CD2 4.31Å; F145-Y153 HydrophobicContact CE1-CE1 4.04Å; F145-Y153 AromaticContact CE1-CG 3.52Å; F145-Y153 HydrophobicContact CE1-CG 3.52Å; F145-Y153 HydrophobicContact CG-CD2 4.17Å; F145-Y153 AromaticContact CG-CG 3.91Å; F145-Y153 HydrophobicContact CG-CG 3.91Å; F145-Y153 HydrophobicContact CZ-CD1 4.3Å; F145-Y153 HydrophobicContact CZ-CG 4.4Å; F145-L155 HydrophobicContact CE2-CB 4.01Å; F145-L155 HydrophobicContact CE2-CD1 3.8Å; F145-L155 HydrophobicContact CZ-CD1 4.1Å; F145-I248 HydrophobicContact CE1-CG2 4.34Å; F145-I248 HydrophobicContact CZ-CG2 4.16Å |
| 146 | E | 91.9 | Very high | 94.6 | Very high | 148 Ų | 148 | 56.3 Ų | 56.3 | 69% | 0.692 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -71.6 | -32.8 | 175.7 | -71.6 | 178.9 | -176.2 | 0 | 0 | 112.7 | F142 H144 | F142-E146 WeakPolarHBondContact O-CG 3.48Å; F142-E146 PolarHBondContact O-N 3.05Å; H144-E146 VanDerWaalsContact C-N 3.26Å; H144-E146 PolarHBondContact O-N 3.29Å |
| 147 | K | 93.9 | Very high | 94.7 | Very high | 142 Ų | 142 | 53.8 Ų | 53.8 | 62% | 0.617 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -82.6 | -33 | -178.1 | -73.6 | 171.6 | -174.1 | 165.8 | 0 | 113.4 | D143 H144 L149 | D143-K147 WeakPolarHBondContact O-CD 3.46Å; D143-K147 VanDerWaalsContact O-CG 3.27Å; D143-K147 WeakPolarHBondContact O-CG 3.35Å; D143-K147 PolarHBondContact O-N 3.26Å; D143-K147 WeakPolarHBondContact OD1-CE 3.35Å; D143-K147 IonicContact OD1-NZ 2.73Å; D143-K147 PolarHBondContact OD1-NZ 3.48Å; D143-K147 WeakPolarHBondContact OD2-CE 3.47Å; D143-K147 IonicContact OD2-NZ 2.76Å; D143-K147 PolarHBondContact OD2-NZ 2.93Å; H144-K147 PolarHBondContact O-N 3.37Å; H144-K147 VanDerWaalsContact O-N 3.14Å; K147-L149 PolarHBondContact O-N 3.24Å |
| 148 | D | 92 | Very high | 94.6 | Very high | 33 Ų | 33 | 53.9 Ų | 53.9 | 18% | 0.176 | 27% | 0.271 | C | S | . | . | trans | -92.8 | 98.8 | -178.7 | -177.6 | 18.6 | 0 | 0 | 0 | 111.9 | H144 T150 Y153 | H144-D148 PolarHBondContact O-N 2.86Å; D148-T150 VanDerWaalsContact C-N 3.3Å; D148-T150 WeakPolarHBondContact OD1-CB 3.1Å; D148-T150 PolarHBondContact OD1-N 3.18Å; D148-T150 PolarHBondContact OD1-OG1 2.64Å; D148-Y153 HydrophobicContact CB-CE2 3.98Å; D148-Y153 WeakPolarHBondContact OD2-CE2 3.46Å; D148-Y153 PolarHBondContact OD2-OH 3.35Å | ||
| 149 | L | 90.3 | Very high | 94.5 | Very high | 143 Ų | 143 | 54 Ų | 54 | 75% | 0.749 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.9 | 3.2 | 176.4 | -57.6 | 176.3 | 0 | 0 | 0 | 113.5 | K147 H253 | K147-L149 PolarHBondContact O-N 3.24Å; L149-H253 PolarHBondContact O-CD2 3.13Å; L149-H253 PolarHBondContact O-NE2 3Å |
| 150 | T | 90.1 | Very high | 94.4 | Very high | 93 Ų | 93 | 52.2 Ų | 52.2 | 57% | 0.571 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88 | -21.2 | -177.5 | 70.8 | 0 | 0 | 0 | 0 | 112.8 | D148 H253 | D148-T150 VanDerWaalsContact C-N 3.3Å; D148-T150 WeakPolarHBondContact OD1-CB 3.1Å; D148-T150 PolarHBondContact OD1-N 3.18Å; D148-T150 PolarHBondContact OD1-OG1 2.64Å; T150-H253 PolarHBondContact O-CD2 3.41Å; T150-H253 PolarHBondContact O-N 3.09Å |
| 151 | C | 90.8 | Very high | 94.1 | Very high | 19 Ų | 19 | 49.7 Ų | 49.7 | 13% | 0.128 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 141.5 | -175 | -63 | 0 | 0 | 0 | 0 | 111 | Y153 R251 | C151-Y153 HydrophobicContact CB-CD2 4.33Å; C151-Y153 HydrophobicContact CB-CE2 3.64Å; C151-Y153 WeakPolarHBondContact O-CD2 3.26Å; C151-R251 CarbonylContact C-O 3.58Å; C151-R251 WeakPolarHBondContact CA-O 3.34Å |
| 152 | E | 92 | Very high | 93.8 | Very high | 99 Ų | 99 | 49.8 Ų | 49.8 | 46% | 0.463 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 127.4 | 166 | -174.9 | -175.8 | -176.6 | 0 | 0 | 109.1 | S250 R251 | E152-S250 CarbonylContact O-C 3.56Å; E152-S250 WeakPolarHBondContact O-CA 3.37Å; E152-R251 PolarHBondContact N-O 3.49Å; E152-R251 PolarHBondContact O-N 3.48Å |
| 153 | Y | 95.1 | Very high | 93.3 | Very high | 41 Ų | 41 | 50.8 Ų | 50.8 | 16% | 0.161 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 137.8 | 178.3 | -66.8 | -85.3 | 0 | 0 | 0 | 111 | L100 F145 D148 C151 I248 T249 S250 | L100-Y153 HydrophobicContact CD2-CE1 4.33Å; F145-Y153 HydrophobicContact CB-CD2 4.25Å; F145-Y153 HydrophobicContact CB-CG 4.45Å; F145-Y153 VanDerWaalsContact CD1-CB 3.47Å; F145-Y153 AromaticContact CD1-CD1 3.53Å; F145-Y153 HydrophobicContact CD1-CD1 3.53Å; F145-Y153 AromaticContact CD1-CD2 3.6Å; F145-Y153 HydrophobicContact CD1-CD2 3.6Å; F145-Y153 HydrophobicContact CD1-CE1 4.13Å; F145-Y153 HydrophobicContact CD1-CE2 4.2Å; F145-Y153 AromaticContact CD1-CG 3.23Å; F145-Y153 HydrophobicContact CD1-CG 3.23Å; F145-Y153 AromaticContact CE1-CD1 3.36Å; F145-Y153 HydrophobicContact CE1-CD1 3.36Å; F145-Y153 HydrophobicContact CE1-CD2 4.31Å; F145-Y153 HydrophobicContact CE1-CE1 4.04Å; F145-Y153 AromaticContact CE1-CG 3.52Å; F145-Y153 HydrophobicContact CE1-CG 3.52Å; F145-Y153 HydrophobicContact CG-CD2 4.17Å; F145-Y153 AromaticContact CG-CG 3.91Å; F145-Y153 HydrophobicContact CG-CG 3.91Å; F145-Y153 HydrophobicContact CZ-CD1 4.3Å; F145-Y153 HydrophobicContact CZ-CG 4.4Å; D148-Y153 HydrophobicContact CB-CE2 3.98Å; D148-Y153 WeakPolarHBondContact OD2-CE2 3.46Å; D148-Y153 PolarHBondContact OD2-OH 3.35Å; C151-Y153 HydrophobicContact CB-CD2 4.33Å; C151-Y153 HydrophobicContact CB-CE2 3.64Å; C151-Y153 WeakPolarHBondContact O-CD2 3.26Å; Y153-I248 HydrophobicContact CD1-CG2 4.43Å; Y153-T249 CarbonylContact C-O 3.6Å; Y153-T249 WeakPolarHBondContact CA-O 3.49Å; Y153-S250 VanDerWaalsContact CE1-CB 3.41Å |
| 154 | T | 95.1 | Very high | 92.6 | Very high | 52 Ų | 52 | 50.8 Ų | 50.8 | 32% | 0.319 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 127.8 | 169.8 | -57.6 | 0 | 0 | 0 | 0 | 109.1 | T249 | T154-T249 PolarHBondContact N-O 3.01Å; T154-T249 PolarHBondContact O-N 3.06Å |
| 155 | L | 97.6 | Very high | 92 | Very high | 4 Ų | 4 | 50.3 Ų | 50.3 | 2% | 0.021 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 130.2 | -179.8 | -173.3 | 148 | 0 | 0 | 0 | 110.5 | L141 F142 F145 I157 S208 A209 I246 H247 | L141-L155 HydrophobicContact CB-CD1 4.41Å; L141-L155 HydrophobicContact CD1-CD1 3.97Å; F142-L155 HydrophobicContact CE2-CD1 4.14Å; F142-L155 HydrophobicContact CE2-CD2 4.45Å; F142-L155 HydrophobicContact CZ-CB 4.41Å; F142-L155 HydrophobicContact CZ-CD1 4.17Å; F142-L155 HydrophobicContact CZ-CD2 4.19Å; F145-L155 HydrophobicContact CE2-CB 4.01Å; F145-L155 HydrophobicContact CE2-CD1 3.8Å; F145-L155 HydrophobicContact CZ-CD1 4.1Å; L155-I157 HydrophobicContact CD2-CD1 3.66Å; L155-I157 HydrophobicContact CD2-CG1 3.63Å; L155-S208 PolarHBondContact O-OG 3.12Å; L155-A209 HydrophobicContact CD2-CB 4.04Å; L155-A209 PolarHBondContact O-N 3.18Å; L155-I246 HydrophobicContact CD1-CG2 3.67Å; L155-I246 HydrophobicContact CD2-CG2 4.21Å; L155-I246 HydrophobicContact CG-CG2 3.75Å; L155-H247 WeakPolarHBondContact CA-O 3.42Å |
| 156 | K | 97 | Very high | 91.5 | Very high | 93 Ų | 93 | 51 Ų | 51 | 40% | 0.404 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 146 | 172.2 | -52.4 | -177.8 | 179 | 179.9 | 0 | 110.6 | I206 H207 H247 | K156-I206 HydrophobicContact CB-CG2 3.51Å; K156-I206 HydrophobicContact CD-CG2 3.87Å; K156-I206 HydrophobicContact CG-CG2 4.29Å; K156-H207 CarbonylContact C-O 3.27Å; K156-H207 WeakPolarHBondContact CA-O 3.11Å; K156-H247 HydrophobicContact CB-CB 4.23Å; K156-H247 PolarHBondContact N-O 2.96Å; K156-H247 WeakPolarHBondContact O-CB 3.38Å; K156-H247 PolarHBondContact O-N 3.29Å |
| 157 | I | 97.1 | Very high | 91.3 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 139.9 | -175.2 | -67 | 163.3 | 0 | 0 | 0 | 109.4 | L138 L155 L171 I206 H207 A209 A215 L218 F244 T245 I246 | L138-I157 HydrophobicContact CD2-CD1 4.09Å; L155-I157 HydrophobicContact CD2-CD1 3.66Å; L155-I157 HydrophobicContact CD2-CG1 3.63Å; I157-L171 HydrophobicContact CG2-CD1 3.98Å; I157-I206 WeakPolarHBondContact O-CA 3.38Å; I157-H207 PolarHBondContact N-O 3.01Å; I157-H207 PolarHBondContact O-N 3.18Å; I157-A209 HydrophobicContact CD1-CB 4.36Å; I157-A215 HydrophobicContact CD1-CB 3.57Å; I157-L218 HydrophobicContact CB-CD1 4.16Å; I157-L218 HydrophobicContact CD1-CD1 4.09Å; I157-F244 HydrophobicContact CB-CZ 4.43Å; I157-F244 HydrophobicContact CD1-CZ 4.03Å; I157-F244 HydrophobicContact CG1-CE1 4.47Å; I157-F244 HydrophobicContact CG1-CZ 4.22Å; I157-F244 HydrophobicContact CG2-CD2 4.32Å; I157-F244 HydrophobicContact CG2-CE1 3.96Å; I157-F244 HydrophobicContact CG2-CE2 3.53Å; I157-F244 HydrophobicContact CG2-CZ 3.34Å; I157-T245 WeakPolarHBondContact CA-O 3.43Å; I157-I246 HydrophobicContact CG1-CG1 4.48Å |
| 158 | S | 94.5 | Very high | 91.1 | Very high | 2 Ų | 2 | 37.4 Ų | 37.4 | 1% | 0.014 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 146.5 | 161.8 | 57.1 | 0 | 0 | 0 | 0 | 109.5 | S205 T245 H247 | S158-S205 VanDerWaalsContact CB-O 3.24Å; S158-S205 WeakPolarHBondContact CB-O 3.5Å; S158-T245 PolarHBondContact N-O 3.19Å; S158-T245 PolarHBondContact O-N 3.01Å; S158-T245 WeakPolarHBondContact OG-CB 3.42Å; S158-H247 PolarHBondContact OG-NE2 3Å |
| 159 | Y | 95.1 | Very high | 91 | Very high | 3 Ų | 3 | 35.9 Ų | 35.9 | 1% | 0.012 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 121.8 | 179.3 | -164.1 | -172.5 | 0 | 0 | 0 | 109.3 | L170 L171 L219 D223 C242 F244 | Y159-L170 HydrophobicContact CD1-CB 4.19Å; Y159-L170 HydrophobicContact CD1-CD1 3.95Å; Y159-L170 HydrophobicContact CD2-CD1 3.84Å; Y159-L170 HydrophobicContact CE1-CD1 3.91Å; Y159-L170 HydrophobicContact CE2-CD1 3.83Å; Y159-L170 HydrophobicContact CG-CB 4.17Å; Y159-L170 HydrophobicContact CG-CD1 3.89Å; Y159-L170 WeakPolarHBondContact O-CB 3.24Å; Y159-L170 PolarHBondContact O-N 3.24Å; Y159-L171 HydrophobicContact CD1-CD2 4.33Å; Y159-L219 HydrophobicContact CE1-CD1 4.08Å; Y159-D223 WeakPolarHBondContact CE1-OD1 3.39Å; Y159-D223 PolarHBondContact OH-OD1 3.48Å; Y159-C242 HydrophobicContact CE2-CB 4.06Å; Y159-F244 AromaticContact CD1-CD2 3.81Å; Y159-F244 HydrophobicContact CD1-CD2 3.81Å; Y159-F244 HydrophobicContact CD1-CE2 4.23Å; Y159-F244 HydrophobicContact CD2-CB 3.91Å; Y159-F244 AromaticContact CD2-CD2 3.75Å; Y159-F244 HydrophobicContact CD2-CD2 3.75Å; Y159-F244 HydrophobicContact CD2-CG 4.33Å; Y159-F244 HydrophobicContact CE1-CD2 4.22Å; Y159-F244 HydrophobicContact CE2-CB 4.04Å; Y159-F244 HydrophobicContact CE2-CD2 4.14Å; Y159-F244 AromaticContact CG-CD2 3.59Å; Y159-F244 HydrophobicContact CG-CD2 3.59Å; Y159-F244 HydrophobicContact CG-CE2 4.29Å |
| 160 | M | 92.7 | Very high | 91 | Very high | 4 Ų | 4 | 29.1 Ų | 29.1 | 2% | 0.02 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 143.4 | -174.5 | -175.9 | -179.9 | 61.3 | 0 | 0 | 110.5 | I162 Y168 V188 L204 I243 M318 M322 | M160-I162 HydrophobicContact CE-CD1 4.03Å; M160-I162 HydrophobicContact CE-CG1 3.96Å; M160-Y168 VanDerWaalsContact CA-O 3.3Å; M160-Y168 WeakPolarHBondContact CA-O 3.35Å; M160-Y168 VanDerWaalsContact CG-O 3.31Å; M160-Y168 WeakPolarHBondContact CG-O 3.24Å; M160-V188 HydrophobicContact CG-CG2 4.24Å; M160-V188 HydrophobicContact SD-CB 3.86Å; M160-V188 HydrophobicContact SD-CG1 3.71Å; M160-V188 HydrophobicContact SD-CG2 3.89Å; M160-L204 HydrophobicContact CB-CD1 3.95Å; M160-L204 HydrophobicContact CG-CD1 4.49Å; M160-I243 HydrophobicContact CE-CD1 4.06Å; M160-I243 PolarHBondContact N-O 3.12Å; M160-I243 PolarHBondContact O-N 3.1Å; M160-M318 HydrophobicContact CE-CE 4.07Å; M160-M318 HydrophobicContact SD-CE 3.65Å; M160-M322 HydrophobicContact CE-CE 4.13Å; M160-M322 HydrophobicContact CE-CG 4.23Å |
| 161 | E | 91.6 | Very high | 90.9 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 127.9 | 170.2 | -176.9 | 170.9 | -162.1 | 0 | 0 | 109.8 | G167 Y168 L170 L182 S240 H241 | E161-G167 CarbonylContact O-C 3.54Å; E161-G167 WeakPolarHBondContact O-CA 3.23Å; E161-Y168 PolarHBondContact N-O 3.43Å; E161-Y168 PolarHBondContact O-N 2.85Å; E161-L170 HydrophobicContact CB-CD1 4.01Å; E161-L170 HydrophobicContact CB-CD2 4.07Å; E161-L170 HydrophobicContact CB-CG 4.07Å; E161-L182 WeakPolarHBondContact OE2-CD1 3.27Å; E161-S240 WeakPolarHBondContact OE1-CB 3.31Å; E161-S240 PolarHBondContact OE1-OG 3.4Å; E161-H241 CarbonylContact C-O 3.56Å; E161-H241 WeakPolarHBondContact CA-O 3.45Å |
| 162 | I | 90.4 | Very high | 89.9 | Confident | 3 Ų | 3 | 24.4 Ų | 24.4 | 2% | 0.015 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 111.1 | 172.6 | -56.6 | 176.7 | 0 | 0 | 0 | 107.5 | M160 I166 S240 H241 I243 M318 M319 | M160-I162 HydrophobicContact CE-CD1 4.03Å; M160-I162 HydrophobicContact CE-CG1 3.96Å; I162-I166 WeakPolarHBondContact CA-O 3.44Å; I162-S240 WeakPolarHBondContact O-CA 3.42Å; I162-S240 WeakPolarHBondContact O-CB 3.41Å; I162-H241 HydrophobicContact CB-CB 4.36Å; I162-H241 PolarHBondContact N-O 3.34Å; I162-H241 PolarHBondContact O-N 2.86Å; I162-I243 HydrophobicContact CD1-CD1 3.7Å; I162-I243 HydrophobicContact CG1-CD1 4.47Å; I162-M318 HydrophobicContact CD1-CG 4.15Å; I162-M319 HydrophobicContact CD1-CB 4.02Å |
| 163 | Y | 85.9 | Confident | 88.5 | Confident | 33 Ų | 33 | 22.6 Ų | 22.6 | 13% | 0.129 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 127.9 | 177.6 | 178.7 | -101.6 | 0 | 0 | 0 | 109.3 | E165 I166 Y168 L182 N234 A236 R239 E286 | Y163-E165 PolarHBondContact O-N 3.35Å; Y163-I166 PolarHBondContact N-O 2.62Å; Y163-I166 PolarHBondContact O-N 3.21Å; Y163-Y168 HydrophobicContact CD1-CE2 4.48Å; Y163-L182 HydrophobicContact CD1-CD2 3.7Å; Y163-L182 HydrophobicContact CG-CD2 3.7Å; Y163-N234 PolarHBondContact OH-OD1 2.96Å; Y163-N234 VanDerWaalsContact OH-OD1 3.09Å; Y163-A236 HydrophobicContact CD2-CB 4.38Å; Y163-A236 HydrophobicContact CE2-CB 4.1Å; Y163-R239 HydrophobicContact CE2-CB 4.43Å; Y163-E286 HydrophobicContact CE2-CG 3.94Å; Y163-E286 WeakPolarHBondContact CE2-OE1 3.19Å; Y163-E286 WeakPolarHBondContact OH-CG 3.19Å; Y163-E286 PolarHBondContact OH-OE1 3.16Å |
| 164 | N | 80.9 | Confident | 86.8 | Confident | 65 Ų | 65 | 28.8 Ų | 28.8 | 35% | 0.348 | 14% | 0.138 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.5 | 45.7 | 179.6 | -165 | 35.1 | 0 | 0 | 0 | 113.6 | I166 Y289 | N164-I166 PolarHBondContact O-N 3.09Å; N164-I166 VanDerWaalsContact O-N 3.07Å; N164-Y289 WeakPolarHBondContact OD1-CD2 3.45Å; N164-Y289 WeakPolarHBondContact OD1-CE2 3.41Å |
| 165 | E | 82.5 | Confident | 84.7 | Confident | 48 Ų | 48 | 29.9 Ų | 29.9 | 22% | 0.224 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60.8 | 8.3 | -175.5 | -64.8 | -64.7 | 146.2 | 0 | 0 | 115.7 | Y163 Y289 S293 S317 M318 | Y163-E165 PolarHBondContact O-N 3.35Å; E165-Y289 HydrophobicContact CG-CD1 3.91Å; E165-Y289 HydrophobicContact CG-CE1 4.45Å; E165-S293 WeakPolarHBondContact OE1-CB 3.34Å; E165-S317 WeakPolarHBondContact OE1-CB 3.22Å; E165-S317 VanDerWaalsContact OE2-CA 3.22Å; E165-S317 WeakPolarHBondContact OE2-CA 3.42Å; E165-S317 WeakPolarHBondContact OE2-CB 3.36Å; E165-M318 PolarHBondContact OE2-N 3.41Å |
| 166 | I | 84.8 | Confident | 82.4 | Confident | 45 Ų | 45 | 34.7 Ų | 34.7 | 23% | 0.231 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 131 | 176.5 | -59.4 | 172.5 | 0 | 0 | 0 | 108.7 | I162 Y163 N164 Y168 R187 | I162-I166 WeakPolarHBondContact CA-O 3.44Å; Y163-I166 PolarHBondContact N-O 2.62Å; Y163-I166 PolarHBondContact O-N 3.21Å; N164-I166 PolarHBondContact O-N 3.09Å; N164-I166 VanDerWaalsContact O-N 3.07Å; I166-Y168 HydrophobicContact CB-CE2 3.92Å; I166-Y168 HydrophobicContact CG2-CD2 4.44Å; I166-Y168 HydrophobicContact CG2-CE1 4Å; I166-Y168 HydrophobicContact CG2-CE2 3.81Å; I166-Y168 WeakPolarHBondContact O-CE2 3.29Å; I166-R187 HydrophobicContact CG2-CB 4.22Å; I166-R187 HydrophobicContact CG2-CG 3.84Å |
| 167 | G | 88.6 | Confident | 80.1 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 135.6 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | E161 R187 V188 M318 | E161-G167 CarbonylContact O-C 3.54Å; E161-G167 WeakPolarHBondContact O-CA 3.23Å; G167-R187 WeakPolarHBondContact O-CA 3.4Å; G167-V188 PolarHBondContact O-N 3.4Å; G167-M318 PolarHBondContact N-SD 3.13Å; G167-M318 VanDerWaalsContact N-SD 3.37Å |
| 168 | Y | 88.7 | Confident | 77.8 | Confident | 6 Ų | 6 | 45.6 Ų | 45.6 | 2% | 0.024 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 131.7 | 176 | -60.4 | -83.7 | 0 | 0 | 0 | 109.4 | M160 E161 Y163 I166 L182 L185 R187 | M160-Y168 VanDerWaalsContact CA-O 3.3Å; M160-Y168 WeakPolarHBondContact CA-O 3.35Å; M160-Y168 VanDerWaalsContact CG-O 3.31Å; M160-Y168 WeakPolarHBondContact CG-O 3.24Å; E161-Y168 PolarHBondContact N-O 3.43Å; E161-Y168 PolarHBondContact O-N 2.85Å; Y163-Y168 HydrophobicContact CD1-CE2 4.48Å; I166-Y168 HydrophobicContact CB-CE2 3.92Å; I166-Y168 HydrophobicContact CG2-CD2 4.44Å; I166-Y168 HydrophobicContact CG2-CE1 4Å; I166-Y168 HydrophobicContact CG2-CE2 3.81Å; I166-Y168 WeakPolarHBondContact O-CE2 3.29Å; Y168-L182 HydrophobicContact CD1-CG 4.39Å; Y168-L182 WeakPolarHBondContact CD1-O 3.29Å; Y168-L182 HydrophobicContact CD2-CD1 4.39Å; Y168-L182 HydrophobicContact CD2-CD2 3.82Å; Y168-L182 HydrophobicContact CD2-CG 3.86Å; Y168-L182 HydrophobicContact CE2-CD2 3.88Å; Y168-L182 HydrophobicContact CE2-CG 4.12Å; Y168-L182 HydrophobicContact CG-CD1 4.32Å; Y168-L182 HydrophobicContact CG-CD2 4.46Å; Y168-L182 HydrophobicContact CG-CG 4Å; Y168-L185 HydrophobicContact CD1-CB 4.06Å; Y168-R187 HydrophobicContact CE1-CG 4.13Å |
| 169 | D | 90.8 | Very high | 75.8 | Confident | 1 Ų | 1 | 46.5 Ų | 46.5 | 1% | 0.005 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 120.5 | 175.2 | -177.2 | 2.2 | 0 | 0 | 0 | 110.5 | L171 P186 V188 L204 S205 | D169-L171 PolarHBondContact OD1-N 3.49Å; D169-P186 PolarHBondContact N-O 2.96Å; D169-V188 HydrophobicContact CB-CG2 4.17Å; D169-L204 HydrophobicContact CB-CD1 4.13Å; D169-S205 VanDerWaalsContact CG-OG 3.22Å; D169-S205 PolarHBondContact OD1-OG 2.78Å; D169-S205 WeakPolarHBondContact OD2-CA 3.42Å; D169-S205 WeakPolarHBondContact OD2-CB 3.42Å; D169-S205 PolarHBondContact OD2-N 2.89Å; D169-S205 PolarHBondContact OD2-OG 2.89Å |
| 170 | L | 89 | Confident | 73.8 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -87.3 | -12.3 | -178.1 | -66.1 | 179.1 | 0 | 0 | 0 | 113.4 | Y159 E161 L185 N225 | Y159-L170 HydrophobicContact CD1-CB 4.19Å; Y159-L170 HydrophobicContact CD1-CD1 3.95Å; Y159-L170 HydrophobicContact CD2-CD1 3.84Å; Y159-L170 HydrophobicContact CE1-CD1 3.91Å; Y159-L170 HydrophobicContact CE2-CD1 3.83Å; Y159-L170 HydrophobicContact CG-CB 4.17Å; Y159-L170 HydrophobicContact CG-CD1 3.89Å; Y159-L170 WeakPolarHBondContact O-CB 3.24Å; Y159-L170 PolarHBondContact O-N 3.24Å; E161-L170 HydrophobicContact CB-CD1 4.01Å; E161-L170 HydrophobicContact CB-CD2 4.07Å; E161-L170 HydrophobicContact CB-CG 4.07Å; L170-L185 HydrophobicContact CD2-CD1 4.11Å; L170-N225 HydrophobicContact CD2-CB 4.37Å; L170-N225 PolarHBondContact O-ND2 3.39Å |
| 171 | L | 87.8 | Confident | 72.3 | Confident | 2 Ų | 2 | 56 Ų | 56 | 1% | 0.01 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -104.5 | -0.3 | -176.6 | -58.7 | -177.4 | 0 | 0 | 0 | 114.4 | I157 Y159 D169 S173 H207 L218 | I157-L171 HydrophobicContact CG2-CD1 3.98Å; Y159-L171 HydrophobicContact CD1-CD2 4.33Å; D169-L171 PolarHBondContact OD1-N 3.49Å; L171-S173 PolarHBondContact O-N 3.46Å; L171-S173 VanDerWaalsContact O-N 3.11Å; L171-H207 PolarHBondContact O-NE2 3.01Å; L171-L218 HydrophobicContact CD1-CB 4.43Å; L171-L218 HydrophobicContact CD1-CD2 4.47Å; L171-L218 HydrophobicContact CD2-CB 4.24Å; L171-L218 HydrophobicContact CD2-CD2 4.49Å; L171-L218 WeakPolarHBondContact CD2-O 3.33Å |
| 172 | D | 71.4 | Confident | 70.9 | Confident | 12 Ų | 12 | 56.5 Ų | 56.5 | 6% | 0.064 | 29% | 0.286 | C | S | . | . | trans | -66.1 | 116.5 | -172.4 | -170.5 | 10.1 | 0 | 0 | 0 | 113 | R174 H175 P186 | D172-R174 VanDerWaalsContact C-N 3.26Å; D172-R174 VanDerWaalsContact CG-NE 3.32Å; D172-R174 PolarHBondContact O-N 3.3Å; D172-R174 WeakPolarHBondContact OD1-CB 3.42Å; D172-R174 WeakPolarHBondContact OD1-CG 3.39Å; D172-R174 IonicContact OD1-CZ 3.5Å; D172-R174 PolarHBondContact OD1-N 2.97Å; D172-R174 IonicContact OD1-NE 3.98Å; D172-R174 PolarHBondContact OD1-NE 3.23Å; D172-R174 IonicContact OD1-NH2 3.15Å; D172-R174 IonicContact OD2-CZ 2.69Å; D172-R174 IonicContact OD2-NE 3.79Å; D172-R174 PolarHBondContact OD2-NE 3.37Å; D172-R174 IonicContact OD2-NH2 3.34Å; D172-R174 PolarHBondContact OD2-NH2 3.46Å; D172-H175 IonicContact OD2-CD2 2.67Å; D172-P186 HydrophobicContact CB-CG 3.97Å; D172-P186 WeakPolarHBondContact OD2-CG 3.38Å | ||
| 173 | S | 62.6 | Low | 69.8 | Low | 60 Ų | 60 | 62.5 Ų | 62.5 | 42% | 0.42 | 31% | 0.314 | S | S | . | . | G | 310 helix | trans | -72.4 | -16.8 | 178.6 | 64.8 | 0 | 0 | 0 | 0 | 113.7 | L171 H175 N176 | L171-S173 PolarHBondContact O-N 3.46Å; L171-S173 VanDerWaalsContact O-N 3.11Å; S173-H175 PolarHBondContact O-N 3.11Å; S173-H175 VanDerWaalsContact O-N 3.08Å; S173-N176 WeakPolarHBondContact CA-OD1 3.25Å; S173-N176 VanDerWaalsContact O-CB 3.28Å; S173-N176 WeakPolarHBondContact O-CB 3.4Å; S173-N176 PolarHBondContact O-N 3.48Å; S173-N176 VanDerWaalsContact O-N 3.15Å; S173-N176 PolarHBondContact O-ND2 2.89Å; S173-N176 PolarHBondContact O-OD1 3.02Å |
| 174 | R | 58.1 | Low | 68.9 | Low | 171 Ų | 171 | 64.4 Ų | 64.4 | 65% | 0.645 | 33% | 0.326 | S | S | * | . | G | 310 helix | trans | -62.1 | -18.9 | -179.3 | -66.2 | 176.7 | -64.1 | 175.4 | 4 | 112.8 | D172 | D172-R174 VanDerWaalsContact C-N 3.26Å; D172-R174 VanDerWaalsContact CG-NE 3.32Å; D172-R174 PolarHBondContact O-N 3.3Å; D172-R174 WeakPolarHBondContact OD1-CB 3.42Å; D172-R174 WeakPolarHBondContact OD1-CG 3.39Å; D172-R174 IonicContact OD1-CZ 3.5Å; D172-R174 PolarHBondContact OD1-N 2.97Å; D172-R174 IonicContact OD1-NE 3.98Å; D172-R174 PolarHBondContact OD1-NE 3.23Å; D172-R174 IonicContact OD1-NH2 3.15Å; D172-R174 IonicContact OD2-CZ 2.69Å; D172-R174 IonicContact OD2-NE 3.79Å; D172-R174 PolarHBondContact OD2-NE 3.37Å; D172-R174 IonicContact OD2-NH2 3.34Å; D172-R174 PolarHBondContact OD2-NH2 3.46Å |
| 175 | H | 51.1 | Low | 68.3 | Low | 75 Ų | 75 | 61.6 Ų | 61.6 | 35% | 0.347 | 31% | 0.311 | S | S | . | . | G | 310 helix | trans | -110.1 | 26.1 | 179.3 | -68.3 | -74.8 | 0 | 0 | 0 | 114.2 | D172 S173 N177 T179 D184 | D172-H175 IonicContact OD2-CD2 2.67Å; S173-H175 PolarHBondContact O-N 3.11Å; S173-H175 VanDerWaalsContact O-N 3.08Å; H175-N177 PolarHBondContact O-N 2.85Å; H175-T179 VanDerWaalsContact CB-OG1 3.32Å; H175-T179 WeakPolarHBondContact CB-OG1 3.39Å; H175-T179 PolarHBondContact O-OG1 3.26Å; H175-D184 PolarHBondContact CE1-O 3.46Å; H175-D184 PolarHBondContact NE2-O 3.33Å |
| 176 | N | 50 | Low | 67.8 | Low | 106 Ų | 106 | 60.1 Ų | 60.1 | 57% | 0.567 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.9 | -1.3 | -168.3 | -98.8 | -6.1 | 0 | 0 | 0 | 119.5 | S173 | S173-N176 WeakPolarHBondContact CA-OD1 3.25Å; S173-N176 VanDerWaalsContact O-CB 3.28Å; S173-N176 WeakPolarHBondContact O-CB 3.4Å; S173-N176 PolarHBondContact O-N 3.48Å; S173-N176 VanDerWaalsContact O-N 3.15Å; S173-N176 PolarHBondContact O-ND2 2.89Å; S173-N176 PolarHBondContact O-OD1 3.02Å |
| 177 | N | 49.1 | Very low | 67.7 | Low | 167 Ų | 167 | 64.5 Ų | 64.5 | 89% | 0.893 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -157.9 | 3.3 | 176.2 | -87.6 | -35.9 | 0 | 0 | 0 | 117.1 | H175 | H175-N177 PolarHBondContact O-N 2.85Š|
| 178 | M | 49 | Very low | 67.4 | Low | 155 Ų | 155 | 64.9 Ų | 64.9 | 76% | 0.764 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -124.3 | -3.1 | -173.9 | -100.7 | -176.5 | 80.6 | 0 | 0 | 115.7 | S180 | M178-S180 VanDerWaalsContact C-N 3.34Å; M178-S180 PolarHBondContact O-N 2.86Å; M178-S180 PolarHBondContact O-OG 3.49Å |
| 179 | T | 51.3 | Low | 67 | Low | 20 Ų | 20 | 67.4 Ų | 67.4 | 12% | 0.123 | 34% | 0.338 | C | S | . | . | trans | -64.6 | 94.6 | 178.3 | -49.3 | 0 | 0 | 0 | 0 | 109.3 | H175 K181 D184 L185 I228 | H175-T179 VanDerWaalsContact CB-OG1 3.32Å; H175-T179 WeakPolarHBondContact CB-OG1 3.39Å; H175-T179 PolarHBondContact O-OG1 3.26Å; T179-K181 VanDerWaalsContact CG2-O 3.25Å; T179-K181 WeakPolarHBondContact CG2-O 3.04Å; T179-D184 HydrophobicContact CG2-CB 4.15Å; T179-L185 HydrophobicContact CG2-CD2 3.75Å; T179-L185 HydrophobicContact CG2-CG 3.78Å; T179-I228 WeakPolarHBondContact O-CG2 3.33Å | ||
| 180 | S | 53.8 | Low | 66.3 | Low | 89 Ų | 89 | 69.7 Ų | 69.7 | 62% | 0.622 | 35% | 0.35 | S | S | * | . | trans | -90.2 | -19.2 | 173.5 | -55.1 | 0 | 0 | 0 | 0 | 110.3 | M178 D184 | M178-S180 VanDerWaalsContact C-N 3.34Å; M178-S180 PolarHBondContact O-N 2.86Å; M178-S180 PolarHBondContact O-OG 3.49Å; S180-D184 PolarHBondContact N-OD2 3.38Å | ||
| 181 | K | 61.7 | Low | 65.4 | Low | 119 Ų | 119 | 74.4 Ų | 74.4 | 52% | 0.517 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -135.4 | 148.1 | -177 | -60.6 | -178.5 | 179.8 | -177.3 | 0 | 110.9 | T179 E183 D184 | T179-K181 VanDerWaalsContact CG2-O 3.25Å; T179-K181 WeakPolarHBondContact CG2-O 3.04Å; K181-E183 PolarHBondContact O-N 2.89Å; K181-D184 PolarHBondContact N-OD2 2.86Å; K181-D184 WeakPolarHBondContact O-CB 3.46Å; K181-D184 PolarHBondContact O-N 2.87Å |
| 182 | L | 61.6 | Low | 64.4 | Low | 10 Ų | 10 | 77 Ų | 77 | 5% | 0.052 | 38% | 0.383 | C | S | . | . | G | 310 helix | trans | -54.5 | -36.5 | 174 | -166.3 | 69.2 | 0 | 0 | 0 | 112.4 | E161 Y163 Y168 D184 L185 A229 | E161-L182 WeakPolarHBondContact OE2-CD1 3.27Å; Y163-L182 HydrophobicContact CD1-CD2 3.7Å; Y163-L182 HydrophobicContact CG-CD2 3.7Å; Y168-L182 HydrophobicContact CD1-CG 4.39Å; Y168-L182 WeakPolarHBondContact CD1-O 3.29Å; Y168-L182 HydrophobicContact CD2-CD1 4.39Å; Y168-L182 HydrophobicContact CD2-CD2 3.82Å; Y168-L182 HydrophobicContact CD2-CG 3.86Å; Y168-L182 HydrophobicContact CE2-CD2 3.88Å; Y168-L182 HydrophobicContact CE2-CG 4.12Å; Y168-L182 HydrophobicContact CG-CD1 4.32Å; Y168-L182 HydrophobicContact CG-CD2 4.46Å; Y168-L182 HydrophobicContact CG-CG 4Å; L182-D184 PolarHBondContact O-N 3.4Å; L182-D184 VanDerWaalsContact O-N 3.17Å; L182-L185 HydrophobicContact CD1-CD1 3.95Å; L182-L185 WeakPolarHBondContact O-CB 3.06Å; L182-L185 PolarHBondContact O-N 2.91Å; L182-A229 HydrophobicContact CB-CB 3.83Å; L182-A229 HydrophobicContact CD1-CB 3.81Å; L182-A229 HydrophobicContact CG-CB 4.39Å |
| 183 | E | 66.5 | Low | 63.7 | Low | 129 Ų | 129 | 81.6 Ų | 81.6 | 60% | 0.603 | 40% | 0.403 | S | S | * | . | G | 310 helix | trans | -65.9 | -16 | -178.7 | -60.8 | -177.7 | 168.6 | 0 | 0 | 113.9 | K181 L185 | K181-E183 PolarHBondContact O-N 2.89Å; E183-L185 VanDerWaalsContact C-N 3.3Å |
| 184 | D | 66.9 | Low | 63.4 | Low | 72 Ų | 72 | 85.2 Ų | 85.2 | 39% | 0.385 | 42% | 0.423 | S | S | . | . | G | 310 helix | trans | -78.6 | -17.3 | 175.3 | -58 | -37 | 0 | 0 | 0 | 111.8 | H175 T179 S180 K181 L182 | H175-D184 PolarHBondContact CE1-O 3.46Å; H175-D184 PolarHBondContact NE2-O 3.33Å; T179-D184 HydrophobicContact CG2-CB 4.15Å; S180-D184 PolarHBondContact N-OD2 3.38Å; K181-D184 PolarHBondContact N-OD2 2.86Å; K181-D184 WeakPolarHBondContact O-CB 3.46Å; K181-D184 PolarHBondContact O-N 2.87Å; L182-D184 PolarHBondContact O-N 3.4Å; L182-D184 VanDerWaalsContact O-N 3.17Å |
| 185 | L | 68.2 | Low | 63.2 | Low | 6 Ų | 6 | 86 Ų | 86 | 3% | 0.031 | 43% | 0.434 | C | S | . | . | S | Bend | trans | -74.2 | 151.1 | 177.8 | -66.9 | 175.2 | 0 | 0 | 0 | 111.5 | Y168 L170 T179 L182 E183 R187 | Y168-L185 HydrophobicContact CD1-CB 4.06Å; L170-L185 HydrophobicContact CD2-CD1 4.11Å; T179-L185 HydrophobicContact CG2-CD2 3.75Å; T179-L185 HydrophobicContact CG2-CG 3.78Å; L182-L185 HydrophobicContact CD1-CD1 3.95Å; L182-L185 WeakPolarHBondContact O-CB 3.06Å; L182-L185 PolarHBondContact O-N 2.91Å; E183-L185 VanDerWaalsContact C-N 3.3Å; L185-R187 PolarHBondContact O-N 3.38Å |
| 186 | P | 73.8 | Confident | 63.2 | Low | 18 Ų | 18 | 85.8 Ų | 85.8 | 12% | 0.117 | 45% | 0.445 | C | S | . | . | P | Polyproline II helix | trans | -60.7 | 132.6 | 178.9 | -13.4 | 23 | 0 | 0 | 0 | 111.6 | D169 D172 V188 | D169-P186 PolarHBondContact N-O 2.96Å; D172-P186 HydrophobicContact CB-CG 3.97Å; D172-P186 WeakPolarHBondContact OD2-CG 3.38Å; P186-V188 PolarHBondContact O-N 2.98Å |
| 187 | R | 80.8 | Confident | 63.6 | Low | 136 Ų | 136 | 81.7 Ų | 81.7 | 51% | 0.513 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 121.8 | 174.3 | -62.4 | -176.8 | -177.9 | -176 | -1.9 | 110.4 | I166 G167 Y168 L185 N203 | I166-R187 HydrophobicContact CG2-CB 4.22Å; I166-R187 HydrophobicContact CG2-CG 3.84Å; G167-R187 WeakPolarHBondContact O-CA 3.4Å; Y168-R187 HydrophobicContact CE1-CG 4.13Å; L185-R187 PolarHBondContact O-N 3.38Å; R187-N203 WeakPolarHBondContact O-CB 3Å; R187-N203 PolarHBondContact O-ND2 3.38Å |
| 188 | V | 82.9 | Confident | 64.3 | Low | 8 Ų | 8 | 76.2 Ų | 76.2 | 5% | 0.048 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 131.5 | 174.9 | -179.1 | 0 | 0 | 0 | 0 | 108.9 | M160 G167 D169 P186 L201 K202 L204 M318 | M160-V188 HydrophobicContact CG-CG2 4.24Å; M160-V188 HydrophobicContact SD-CB 3.86Å; M160-V188 HydrophobicContact SD-CG1 3.71Å; M160-V188 HydrophobicContact SD-CG2 3.89Å; G167-V188 PolarHBondContact O-N 3.4Å; D169-V188 HydrophobicContact CB-CG2 4.17Å; P186-V188 PolarHBondContact O-N 2.98Å; V188-L201 HydrophobicContact CG1-CB 4.46Å; V188-L201 HydrophobicContact CG1-CD2 3.4Å; V188-L201 HydrophobicContact CG1-CG 4.42Å; V188-K202 WeakPolarHBondContact CA-O 3.5Å; V188-K202 WeakPolarHBondContact CG1-O 3.33Å; V188-L204 HydrophobicContact CG1-CB 4.17Å; V188-L204 HydrophobicContact CG2-CB 4.23Å; V188-L204 HydrophobicContact CG2-CD1 4.37Å; V188-M318 HydrophobicContact CB-CE 4.02Å; V188-M318 HydrophobicContact CG1-CE 3.8Å |
| 189 | T | 80 | Confident | 65.3 | Low | 59 Ų | 59 | 70 Ų | 70 | 36% | 0.362 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 140.3 | 178.1 | 48.5 | 0 | 0 | 0 | 0 | 110.4 | K202 | T189-K202 PolarHBondContact N-O 3.25Å; T189-K202 PolarHBondContact O-N 3.08Å |
| 190 | L | 76.9 | Confident | 66.4 | Low | 50 Ų | 50 | 73.2 Ų | 73.2 | 26% | 0.262 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 127.4 | -174.7 | -166.7 | 161.4 | 0 | 0 | 0 | 109.9 | V199 L201 M318 M321 M322 | L190-V199 HydrophobicContact CD1-CG1 3.86Å; L190-V199 HydrophobicContact CD2-CG1 3.72Å; L190-V199 HydrophobicContact CG-CG1 3.61Å; L190-L201 HydrophobicContact CB-CD2 4.5Å; L190-M318 HydrophobicContact CD1-CG 4.26Å; L190-M321 HydrophobicContact CD1-CB 3.57Å; L190-M321 HydrophobicContact CD1-CG 3.26Å; L190-M321 HydrophobicContact CD2-CG 3.49Å; L190-M321 VanDerWaalsContact CD2-CG 3.49Å; L190-M321 HydrophobicContact CD2-SD 4.49Å; L190-M321 HydrophobicContact CG-CG 4.02Å; L190-M322 HydrophobicContact CB-CE 4.47Å; L190-M322 HydrophobicContact CD1-CE 3.33Å; L190-M322 HydrophobicContact CD1-SD 4.21Å; L190-M322 HydrophobicContact CG-CE 4.03Å |
| 191 | F | 70.8 | Confident | 67.7 | Low | 98 Ų | 98 | 71.9 Ų | 71.9 | 43% | 0.43 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 139 | 173 | -65.2 | -89.3 | 0 | 0 | 0 | 110.3 | H200 K202 | F191-H200 PolarHBondContact N-O 2.83Å; F191-H200 PolarHBondContact O-N 2.91Å; F191-K202 HydrophobicContact CD2-CB 4.27Å; F191-K202 HydrophobicContact CD2-CD 3.75Å; F191-K202 HydrophobicContact CD2-CG 3.76Å; F191-K202 HydrophobicContact CE2-CB 4.07Å; F191-K202 HydrophobicContact CE2-CD 3.47Å; F191-K202 VanDerWaalsContact CE2-CD 3.47Å; F191-K202 HydrophobicContact CE2-CG 3.84Å; F191-K202 HydrophobicContact CZ-CD 4.3Å |
| 192 | E | 66 | Low | 68.6 | Low | 58 Ų | 58 | 71.8 Ų | 71.8 | 27% | 0.271 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 127.2 | 172.5 | -173.6 | 175 | -174.8 | 0 | 0 | 109 | T194 R315 R324 | E192-T194 PolarHBondContact O-N 3.43Å; E192-R315 IonicContact OE1-NH2 3.29Å; E192-R315 IonicContact OE2-CZ 3.21Å; E192-R315 IonicContact OE2-NE 2.67Å; E192-R315 PolarHBondContact OE2-NE 2.92Å; E192-R315 VanDerWaalsContact OE2-NE 3.15Å; E192-R315 IonicContact OE2-NH2 3.31Å; E192-R315 PolarHBondContact OE2-NH2 2.87Å; E192-R324 IonicContact OE1-CZ 3.43Å; E192-R324 IonicContact OE1-NH1 2.63Å; E192-R324 PolarHBondContact OE1-NH1 3.24Å; E192-R324 IonicContact OE1-NH2 3.63Å |
| 193 | H | 57.5 | Low | 69.5 | Low | 107 Ų | 107 | 75.6 Ų | 75.6 | 50% | 0.495 | 39% | 0.391 | S | S | . | . | trans | -76.5 | 114.5 | 166 | -98.1 | -62.3 | 0 | 0 | 0 | 108.7 | E195 A196 G197 T198 H200 | H193-E195 PolarHBondContact O-N 3.37Å; H193-A196 HydrophobicContact CB-CB 4.41Å; H193-A196 PolarHBondContact O-N 3.07Å; H193-G197 WeakPolarHBondContact O-CA 3.24Å; H193-G197 PolarHBondContact O-N 3.5Å; H193-T198 PolarHBondContact N-O 2.94Å; H193-T198 VanDerWaalsContact N-O 3.09Å; H193-H200 AromaticContact CD2-CD2 3.38Å; H193-H200 PolarHBondContact CD2-CD2 3.01Å; H193-H200 AromaticContact CD2-NE2 3.48Å; H193-H200 PolarHBondContact CD2-NE2 2.92Å | ||
| 194 | T | 55.3 | Low | 70.5 | Confident | 136 Ų | 136 | 70.7 Ų | 70.7 | 83% | 0.834 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -30.4 | -179.9 | 35.2 | 0 | 0 | 0 | 0 | 113.6 | E192 | E192-T194 PolarHBondContact O-N 3.43Š|
| 195 | E | 53.8 | Low | 71.6 | Confident | 189 Ų | 189 | 68.4 Ų | 68.4 | 88% | 0.883 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.6 | -42 | -176.1 | -65.3 | -178.4 | 177.7 | 0 | 0 | 113.1 | H193 | H193-E195 PolarHBondContact O-N 3.37Š|
| 196 | A | 52.1 | Low | 72.7 | Confident | 70 Ų | 70 | 72.6 Ų | 72.6 | 58% | 0.579 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.6 | -14.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | H193 T198 | H193-A196 HydrophobicContact CB-CB 4.41Å; H193-A196 PolarHBondContact O-N 3.07Å; A196-T198 HydrophobicContact CB-CG2 4.07Å; A196-T198 PolarHBondContact O-N 3.37Å; A196-T198 VanDerWaalsContact O-N 3.13Å |
| 197 | G | 57.1 | Low | 73.7 | Confident | 20 Ų | 20 | 74.2 Ų | 74.2 | 21% | 0.206 | 39% | 0.385 | C | S | . | . | trans | 66.5 | 5 | -172.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | H193 R324 | H193-G197 WeakPolarHBondContact O-CA 3.24Å; H193-G197 PolarHBondContact O-N 3.5Å; G197-R324 PolarHBondContact O-NH1 2.88Å; G197-R324 VanDerWaalsContact O-NH1 3.17Å | ||
| 198 | T | 64.6 | Low | 74.3 | Confident | 51 Ų | 51 | 71.5 Ų | 71.5 | 31% | 0.313 | 39% | 0.387 | S | S | . | . | trans | -79 | 137.8 | -177.5 | 51.5 | 0 | 0 | 0 | 0 | 111.3 | H193 A196 H200 | H193-T198 PolarHBondContact N-O 2.94Å; H193-T198 VanDerWaalsContact N-O 3.09Å; A196-T198 HydrophobicContact CB-CG2 4.07Å; A196-T198 PolarHBondContact O-N 3.37Å; A196-T198 VanDerWaalsContact O-N 3.13Å; T198-H200 PolarHBondContact O-CD2 2.79Å; T198-H200 PolarHBondContact OG1-CD2 3.03Å; T198-H200 PolarHBondContact OG1-NE2 3.33Å | ||
| 199 | V | 70.6 | Confident | 74.9 | Confident | 26 Ų | 26 | 71.3 Ų | 71.3 | 16% | 0.158 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 122.8 | 174.6 | 176.2 | 0 | 0 | 0 | 0 | 109.2 | L190 M321 M322 | L190-V199 HydrophobicContact CD1-CG1 3.86Å; L190-V199 HydrophobicContact CD2-CG1 3.72Å; L190-V199 HydrophobicContact CG-CG1 3.61Å; V199-M321 HydrophobicContact CG1-CG 4.31Å; V199-M321 HydrophobicContact CG2-CG 3.91Å; V199-M321 HydrophobicContact CG2-SD 3.73Å; V199-M322 HydrophobicContact CG1-SD 4.21Å |
| 200 | H | 73.5 | Confident | 75.5 | Confident | 86 Ų | 86 | 72.5 Ų | 72.5 | 40% | 0.398 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 132.2 | 176.5 | -71.7 | -92.3 | 0 | 0 | 0 | 111 | F191 H193 T198 | F191-H200 PolarHBondContact N-O 2.83Å; F191-H200 PolarHBondContact O-N 2.91Å; H193-H200 AromaticContact CD2-CD2 3.38Å; H193-H200 PolarHBondContact CD2-CD2 3.01Å; H193-H200 AromaticContact CD2-NE2 3.48Å; H193-H200 PolarHBondContact CD2-NE2 2.92Å; T198-H200 PolarHBondContact O-CD2 2.79Å; T198-H200 PolarHBondContact OG1-CD2 3.03Å; T198-H200 PolarHBondContact OG1-NE2 3.33Å |
| 201 | L | 81.7 | Confident | 76.3 | Confident | 61 Ų | 61 | 73 Ų | 73 | 32% | 0.319 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 123.1 | 178.5 | -78.8 | 176.4 | 0 | 0 | 0 | 111 | V188 L190 L204 M318 M322 | V188-L201 HydrophobicContact CG1-CB 4.46Å; V188-L201 HydrophobicContact CG1-CD2 3.4Å; V188-L201 HydrophobicContact CG1-CG 4.42Å; L190-L201 HydrophobicContact CB-CD2 4.5Å; L201-L204 HydrophobicContact CB-CB 4.23Å; L201-L204 HydrophobicContact CB-CD2 4.44Å; L201-L204 HydrophobicContact CD1-CD2 3.54Å; L201-M318 HydrophobicContact CD2-CE 4.25Å; L201-M322 HydrophobicContact CD1-CE 3.76Å; L201-M322 HydrophobicContact CD1-SD 3.72Å; L201-M322 HydrophobicContact CD2-CE 3.07Å; L201-M322 HydrophobicContact CD2-SD 4.08Å; L201-M322 HydrophobicContact CG-CE 3.71Å; L201-M322 HydrophobicContact CG-SD 4.05Å |
| 202 | K | 80.2 | Confident | 77.4 | Confident | 118 Ų | 118 | 70 Ų | 70 | 51% | 0.513 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 145.5 | 169.3 | -68.6 | -164.7 | -170.4 | 173 | 0 | 109.8 | V188 T189 F191 L204 | V188-K202 WeakPolarHBondContact CA-O 3.5Å; V188-K202 WeakPolarHBondContact CG1-O 3.33Å; T189-K202 PolarHBondContact N-O 3.25Å; T189-K202 PolarHBondContact O-N 3.08Å; F191-K202 HydrophobicContact CD2-CB 4.27Å; F191-K202 HydrophobicContact CD2-CD 3.75Å; F191-K202 HydrophobicContact CD2-CG 3.76Å; F191-K202 HydrophobicContact CE2-CB 4.07Å; F191-K202 HydrophobicContact CE2-CD 3.47Å; F191-K202 VanDerWaalsContact CE2-CD 3.47Å; F191-K202 HydrophobicContact CE2-CG 3.84Å; F191-K202 HydrophobicContact CZ-CD 4.3Å; K202-L204 PolarHBondContact O-N 3.41Å |
| 203 | N | 81.2 | Confident | 78.7 | Confident | 90 Ų | 90 | 72.5 Ų | 72.5 | 48% | 0.481 | 41% | 0.407 | S | S | . | . | S | Bend | trans | 66.2 | 18.8 | -176.1 | -48.4 | -28.6 | 0 | 0 | 0 | 115 | R187 | R187-N203 WeakPolarHBondContact O-CB 3Å; R187-N203 PolarHBondContact O-ND2 3.38Å |
| 204 | L | 86.9 | Confident | 80.5 | Confident | 25 Ų | 25 | 71.4 Ų | 71.4 | 13% | 0.131 | 40% | 0.403 | C | S | . | . | trans | -98.6 | 117.2 | 165.2 | -178.3 | 60.7 | 0 | 0 | 0 | 108.6 | M160 D169 V188 L201 K202 | M160-L204 HydrophobicContact CB-CD1 3.95Å; M160-L204 HydrophobicContact CG-CD1 4.49Å; D169-L204 HydrophobicContact CB-CD1 4.13Å; V188-L204 HydrophobicContact CG1-CB 4.17Å; V188-L204 HydrophobicContact CG2-CB 4.23Å; V188-L204 HydrophobicContact CG2-CD1 4.37Å; L201-L204 HydrophobicContact CB-CB 4.23Å; L201-L204 HydrophobicContact CB-CD2 4.44Å; L201-L204 HydrophobicContact CD1-CD2 3.54Å; K202-L204 PolarHBondContact O-N 3.41Å | ||
| 205 | S | 89.4 | Confident | 82.3 | Confident | 24 Ų | 24 | 65 Ų | 65 | 17% | 0.168 | 36% | 0.363 | C | S | . | . | trans | -67.6 | 143.6 | 174.9 | 65.9 | 0 | 0 | 0 | 0 | 110.8 | S158 D169 H207 | S158-S205 VanDerWaalsContact CB-O 3.24Å; S158-S205 WeakPolarHBondContact CB-O 3.5Å; D169-S205 VanDerWaalsContact CG-OG 3.22Å; D169-S205 PolarHBondContact OD1-OG 2.78Å; D169-S205 WeakPolarHBondContact OD2-CA 3.42Å; D169-S205 WeakPolarHBondContact OD2-CB 3.42Å; D169-S205 PolarHBondContact OD2-N 2.89Å; D169-S205 PolarHBondContact OD2-OG 2.89Å; S205-H207 WeakPolarHBondContact CB-NE2 3.42Å; S205-H207 PolarHBondContact OG-CD2 3.47Å; S205-H207 PolarHBondContact OG-NE2 2.9Å | ||
| 206 | I | 92.3 | Very high | 84.2 | Confident | 95 Ų | 95 | 57.2 Ų | 57.2 | 49% | 0.487 | 33% | 0.327 | S | S | . | . | trans | -127.6 | 111.3 | 178.5 | -62.1 | 174.5 | 0 | 0 | 0 | 106.7 | K156 I157 | K156-I206 HydrophobicContact CB-CG2 3.51Å; K156-I206 HydrophobicContact CD-CG2 3.87Å; K156-I206 HydrophobicContact CG-CG2 4.29Å; I157-I206 WeakPolarHBondContact O-CA 3.38Å | ||
| 207 | H | 93.9 | Very high | 86.1 | Confident | 51 Ų | 51 | 58.3 Ų | 58.3 | 24% | 0.236 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 132.1 | -175.5 | -69.9 | -99.2 | 0 | 0 | 0 | 110.4 | K156 I157 L171 S205 L218 | K156-H207 CarbonylContact C-O 3.27Å; K156-H207 WeakPolarHBondContact CA-O 3.11Å; I157-H207 PolarHBondContact N-O 3.01Å; I157-H207 PolarHBondContact O-N 3.18Å; L171-H207 PolarHBondContact O-NE2 3.01Å; S205-H207 WeakPolarHBondContact CB-NE2 3.42Å; S205-H207 PolarHBondContact OG-CD2 3.47Å; S205-H207 PolarHBondContact OG-NE2 2.9Å; H207-L218 HydrophobicContact CB-CD1 3.71Å; H207-L218 HydrophobicContact CB-CD2 3.93Å |
| 208 | S | 94.2 | Very high | 87.8 | Confident | 80 Ų | 80 | 58.3 Ų | 58.3 | 56% | 0.559 | 32% | 0.319 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 138.8 | 174.2 | -157.4 | 0 | 0 | 0 | 0 | 109.8 | L155 | L155-S208 PolarHBondContact O-OG 3.12Å |
| 209 | A | 95.3 | Very high | 89.2 | Confident | 3 Ų | 3 | 56.3 Ų | 56.3 | 3% | 0.025 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 127.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | F142 L155 I157 E214 A215 L218 | F142-A209 HydrophobicContact CZ-CB 4.37Å; L155-A209 HydrophobicContact CD2-CB 4.04Å; L155-A209 PolarHBondContact O-N 3.18Å; I157-A209 HydrophobicContact CD1-CB 4.36Å; A209-E214 HydrophobicContact CB-CB 4.12Å; A209-A215 HydrophobicContact CB-CB 3.87Å; A209-L218 HydrophobicContact CB-CD1 4.34Å |
| 210 | S | 92.5 | Very high | 90.1 | Very high | 85 Ų | 85 | 61.7 Ų | 61.7 | 59% | 0.594 | 33% | 0.328 | S | S | * | . | S | Bend | trans | -96.9 | -22.3 | -178.7 | 66.2 | 0 | 0 | 0 | 0 | 112.9 | F142 E214 | F142-S210 VanDerWaalsContact CE1-C 3.48Å; F142-S210 VanDerWaalsContact CE1-O 3.28Å; F142-S210 WeakPolarHBondContact CE1-O 3.43Å; S210-E214 PolarHBondContact N-OE2 3.25Å; S210-E214 VanDerWaalsContact OG-CD 3.31Å; S210-E214 PolarHBondContact OG-OE1 3.47Å; S210-E214 PolarHBondContact OG-OE2 2.87Å |
| 211 | T | 93 | Very high | 90.9 | Very high | 60 Ų | 60 | 61.2 Ų | 61.2 | 37% | 0.368 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -128.5 | 160.5 | 179.8 | 62.4 | 0 | 0 | 0 | 0 | 111.8 | F142 D213 E214 A215 | F142-T211 WeakPolarHBondContact CE2-O 3.39Å; F142-T211 VanDerWaalsContact CZ-C 3.49Å; F142-T211 WeakPolarHBondContact CZ-O 3.42Å; T211-D213 VanDerWaalsContact C-N 3.26Å; T211-D213 PolarHBondContact O-N 3.38Å; T211-E214 PolarHBondContact O-N 3.35Å; T211-E214 WeakPolarHBondContact OG1-CB 3.38Å; T211-E214 VanDerWaalsContact OG1-CG 3.3Å; T211-E214 WeakPolarHBondContact OG1-CG 3.34Å; T211-E214 PolarHBondContact OG1-N 2.89Å; T211-A215 PolarHBondContact O-N 2.93Å; T211-A215 VanDerWaalsContact O-N 3.15Å |
| 212 | T | 93.9 | Very high | 91.2 | Very high | 34 Ų | 34 | 58.3 Ų | 58.3 | 21% | 0.209 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -56.4 | -42.5 | 173.6 | -53.5 | 0 | 0 | 0 | 0 | 111.7 | A139 F142 A215 L216 | A139-T212 HydrophobicContact CB-CG2 4.29Å; F142-T212 WeakPolarHBondContact CB-OG1 3.47Å; F142-T212 VanDerWaalsContact CD2-CA 3.47Å; F142-T212 HydrophobicContact CD2-CG2 4.46Å; F142-T212 WeakPolarHBondContact CD2-OG1 3.32Å; F142-T212 WeakPolarHBondContact CG-OG1 3.41Å; T212-A215 PolarHBondContact O-N 3.21Å; T212-L216 HydrophobicContact CG2-CD1 3.98Å; T212-L216 HydrophobicContact CG2-CG 4.33Å; T212-L216 WeakPolarHBondContact O-CB 3.35Å; T212-L216 WeakPolarHBondContact O-CG 3.43Å; T212-L216 PolarHBondContact O-N 3.27Å |
| 213 | D | 93.5 | Very high | 91.6 | Very high | 112 Ų | 112 | 54 Ų | 54 | 60% | 0.599 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -66.6 | -41.7 | -178.4 | -62.6 | -63.4 | 0 | 0 | 0 | 111.9 | T211 A215 L216 N217 | T211-D213 VanDerWaalsContact C-N 3.26Å; T211-D213 PolarHBondContact O-N 3.38Å; D213-A215 VanDerWaalsContact C-N 3.32Å; D213-A215 PolarHBondContact O-N 3.36Å; D213-L216 PolarHBondContact O-N 3.48Å; D213-N217 WeakPolarHBondContact O-CB 3.48Å; D213-N217 PolarHBondContact O-N 2.85Å; D213-N217 PolarHBondContact O-ND2 3.39Å; D213-N217 VanDerWaalsContact O-ND2 3.15Å |
| 214 | E | 94.5 | Very high | 91.7 | Very high | 84 Ų | 84 | 51.8 Ų | 51.8 | 39% | 0.393 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -58.8 | -43.5 | 173.3 | -76.8 | 174.5 | -176.9 | 0 | 0 | 111.9 | A209 S210 T211 N217 L218 | A209-E214 HydrophobicContact CB-CB 4.12Å; S210-E214 PolarHBondContact N-OE2 3.25Å; S210-E214 VanDerWaalsContact OG-CD 3.31Å; S210-E214 PolarHBondContact OG-OE1 3.47Å; S210-E214 PolarHBondContact OG-OE2 2.87Å; T211-E214 PolarHBondContact O-N 3.35Å; T211-E214 WeakPolarHBondContact OG1-CB 3.38Å; T211-E214 VanDerWaalsContact OG1-CG 3.3Å; T211-E214 WeakPolarHBondContact OG1-CG 3.34Å; T211-E214 PolarHBondContact OG1-N 2.89Å; E214-N217 PolarHBondContact O-N 3.47Å; E214-L218 WeakPolarHBondContact O-CG 3.22Å; E214-L218 PolarHBondContact O-N 3.03Å; E214-L218 VanDerWaalsContact O-N 3.12Å |
| 215 | A | 94.9 | Very high | 91.6 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -67.3 | -40 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | L138 F142 I157 A209 T211 T212 D213 N217 L218 L219 | L138-A215 HydrophobicContact CD1-CB 3.93Å; L138-A215 HydrophobicContact CD2-CB 3.9Å; L138-A215 HydrophobicContact CG-CB 4.35Å; F142-A215 HydrophobicContact CE2-CB 3.73Å; F142-A215 HydrophobicContact CZ-CB 4.33Å; I157-A215 HydrophobicContact CD1-CB 3.57Å; A209-A215 HydrophobicContact CB-CB 3.87Å; T211-A215 PolarHBondContact O-N 2.93Å; T211-A215 VanDerWaalsContact O-N 3.15Å; T212-A215 PolarHBondContact O-N 3.21Å; D213-A215 VanDerWaalsContact C-N 3.32Å; D213-A215 PolarHBondContact O-N 3.36Å; A215-N217 VanDerWaalsContact C-N 3.33Å; A215-L218 PolarHBondContact O-N 3.31Å; A215-L219 PolarHBondContact O-N 3.49Å; A215-L219 VanDerWaalsContact O-N 3.16Å |
| 216 | L | 92.7 | Very high | 91.3 | Very high | 26 Ų | 26 | 51.9 Ų | 51.9 | 14% | 0.136 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -67.2 | -34.2 | 174.9 | -72.6 | 174.9 | 0 | 0 | 0 | 112 | P135 L138 T212 D213 L218 L219 F220 | P135-L216 HydrophobicContact CB-CD2 3.6Å; L138-L216 HydrophobicContact CD1-CD2 3.98Å; L138-L216 HydrophobicContact CD1-CG 4.46Å; T212-L216 HydrophobicContact CG2-CD1 3.98Å; T212-L216 HydrophobicContact CG2-CG 4.33Å; T212-L216 WeakPolarHBondContact O-CB 3.35Å; T212-L216 WeakPolarHBondContact O-CG 3.43Å; T212-L216 PolarHBondContact O-N 3.27Å; D213-L216 PolarHBondContact O-N 3.48Å; L216-L218 VanDerWaalsContact C-N 3.35Å; L216-L219 WeakPolarHBondContact O-CB 3.49Å; L216-L219 PolarHBondContact O-N 3.27Å; L216-F220 WeakPolarHBondContact O-CB 3.23Å; L216-F220 PolarHBondContact O-N 3.03Å |
| 217 | N | 92 | Very high | 90.6 | Very high | 94 Ų | 94 | 52.6 Ų | 52.6 | 50% | 0.503 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -63.7 | -40.7 | 173.8 | -72.7 | -27.7 | 0 | 0 | 0 | 111.3 | D213 E214 A215 L219 F220 M221 | D213-N217 WeakPolarHBondContact O-CB 3.48Å; D213-N217 PolarHBondContact O-N 2.85Å; D213-N217 PolarHBondContact O-ND2 3.39Å; D213-N217 VanDerWaalsContact O-ND2 3.15Å; E214-N217 PolarHBondContact O-N 3.47Å; A215-N217 VanDerWaalsContact C-N 3.33Å; N217-L219 PolarHBondContact O-N 3.3Å; N217-F220 PolarHBondContact O-N 2.99Å; N217-M221 WeakPolarHBondContact O-CB 3.46Å; N217-M221 WeakPolarHBondContact O-CG 3.45Å; N217-M221 PolarHBondContact O-N 3.21Å |
| 218 | L | 93.9 | Very high | 89.6 | Confident | 19 Ų | 19 | 54.2 Ų | 54.2 | 10% | 0.099 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -62.1 | -42.4 | 174 | -67.4 | 171.6 | 0 | 0 | 0 | 111.9 | I157 L171 H207 A209 E214 A215 L216 M221 G222 | I157-L218 HydrophobicContact CB-CD1 4.16Å; I157-L218 HydrophobicContact CD1-CD1 4.09Å; L171-L218 HydrophobicContact CD1-CB 4.43Å; L171-L218 HydrophobicContact CD1-CD2 4.47Å; L171-L218 HydrophobicContact CD2-CB 4.24Å; L171-L218 HydrophobicContact CD2-CD2 4.49Å; L171-L218 WeakPolarHBondContact CD2-O 3.33Å; H207-L218 HydrophobicContact CB-CD1 3.71Å; H207-L218 HydrophobicContact CB-CD2 3.93Å; A209-L218 HydrophobicContact CB-CD1 4.34Å; E214-L218 WeakPolarHBondContact O-CG 3.22Å; E214-L218 PolarHBondContact O-N 3.03Å; E214-L218 VanDerWaalsContact O-N 3.12Å; A215-L218 PolarHBondContact O-N 3.31Å; L216-L218 VanDerWaalsContact C-N 3.35Å; L218-M221 PolarHBondContact O-N 3.38Å; L218-G222 PolarHBondContact O-N 3.07Å |
| 219 | L | 93.2 | Very high | 88.3 | Confident | 10 Ų | 10 | 50.8 Ų | 50.8 | 5% | 0.052 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -58.5 | -50 | 173.2 | 175 | 63.1 | 0 | 0 | 0 | 111.1 | I134 Y159 A215 L216 N217 M221 G222 D223 F244 | I134-L219 HydrophobicContact CB-CD2 4.24Å; I134-L219 HydrophobicContact CD1-CD1 4.15Å; I134-L219 HydrophobicContact CG2-CD1 4.07Å; I134-L219 HydrophobicContact CG2-CD2 3.75Å; I134-L219 HydrophobicContact CG2-CG 4.44Å; Y159-L219 HydrophobicContact CE1-CD1 4.08Å; A215-L219 PolarHBondContact O-N 3.49Å; A215-L219 VanDerWaalsContact O-N 3.16Å; L216-L219 WeakPolarHBondContact O-CB 3.49Å; L216-L219 PolarHBondContact O-N 3.27Å; N217-L219 PolarHBondContact O-N 3.3Å; L219-M221 VanDerWaalsContact C-N 3.34Å; L219-M221 PolarHBondContact O-N 3.43Å; L219-G222 PolarHBondContact O-N 3.17Å; L219-D223 WeakPolarHBondContact O-CB 3.46Å; L219-D223 PolarHBondContact O-N 3.12Å; L219-F244 HydrophobicContact CB-CE2 4.14Å; L219-F244 HydrophobicContact CB-CZ 4.45Å; L219-F244 HydrophobicContact CD1-CD2 4.09Å; L219-F244 HydrophobicContact CD1-CE2 4Å |
| 220 | F | 90.1 | Very high | 86.9 | Confident | 139 Ų | 139 | 53.7 Ų | 53.7 | 61% | 0.61 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -61 | -41.3 | 179.6 | 177.6 | -99.4 | 0 | 0 | 0 | 112.6 | L216 N217 D223 T224 | L216-F220 WeakPolarHBondContact O-CB 3.23Å; L216-F220 PolarHBondContact O-N 3.03Å; N217-F220 PolarHBondContact O-N 2.99Å; F220-D223 PolarHBondContact O-N 3.15Å; F220-T224 VanDerWaalsContact O-CB 3.31Å; F220-T224 WeakPolarHBondContact O-CB 3.24Å; F220-T224 PolarHBondContact O-N 3.44Å; F220-T224 PolarHBondContact O-OG1 3.17Å |
| 221 | M | 89.5 | Confident | 85.1 | Confident | 75 Ų | 75 | 52.8 Ų | 52.8 | 37% | 0.369 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -61.4 | -48 | 176.1 | -74.8 | 173.6 | 65.6 | 0 | 0 | 111.5 | N217 L218 L219 T224 N225 | N217-M221 WeakPolarHBondContact O-CB 3.46Å; N217-M221 WeakPolarHBondContact O-CG 3.45Å; N217-M221 PolarHBondContact O-N 3.21Å; L218-M221 PolarHBondContact O-N 3.38Å; L219-M221 VanDerWaalsContact C-N 3.34Å; L219-M221 PolarHBondContact O-N 3.43Å; M221-T224 WeakPolarHBondContact O-CB 3.37Å; M221-T224 PolarHBondContact O-N 2.99Å; M221-N225 PolarHBondContact O-N 2.78Å |
| 222 | G | 89 | Confident | 83.3 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -67.1 | -38.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | L218 L219 T224 N225 R226 | L218-G222 PolarHBondContact O-N 3.07Å; L219-G222 PolarHBondContact O-N 3.17Å; G222-T224 VanDerWaalsContact C-N 3.32Å; G222-T224 PolarHBondContact O-N 3.28Å; G222-N225 PolarHBondContact O-N 2.92Å; G222-R226 WeakPolarHBondContact O-CB 3.43Å; G222-R226 PolarHBondContact O-N 3.29Å |
| 223 | D | 87.6 | Confident | 81.1 | Confident | 28 Ų | 28 | 62.2 Ų | 62.2 | 15% | 0.15 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -64.8 | -38 | 173.6 | -75.7 | -14.2 | 0 | 0 | 0 | 111.4 | T122 Y159 L219 F220 R226 I227 | T122-D223 VanDerWaalsContact CG2-OD2 3.24Å; T122-D223 WeakPolarHBondContact CG2-OD2 3.46Å; Y159-D223 WeakPolarHBondContact CE1-OD1 3.39Å; Y159-D223 PolarHBondContact OH-OD1 3.48Å; L219-D223 WeakPolarHBondContact O-CB 3.46Å; L219-D223 PolarHBondContact O-N 3.12Å; F220-D223 PolarHBondContact O-N 3.15Å; D223-R226 WeakPolarHBondContact O-CB 3.37Å; D223-R226 PolarHBondContact O-N 3.18Å; D223-I227 VanDerWaalsContact O-CG1 3.23Å; D223-I227 WeakPolarHBondContact O-CG1 2.89Å; D223-I227 PolarHBondContact O-N 3.49Å |
| 224 | T | 84.1 | Confident | 79.2 | Confident | 44 Ų | 44 | 58.3 Ų | 58.3 | 27% | 0.27 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -62.9 | -45.2 | 174.5 | -61.4 | 0 | 0 | 0 | 0 | 111.1 | F220 M221 G222 R226 I227 I228 | F220-T224 VanDerWaalsContact O-CB 3.31Å; F220-T224 WeakPolarHBondContact O-CB 3.24Å; F220-T224 PolarHBondContact O-N 3.44Å; F220-T224 PolarHBondContact O-OG1 3.17Å; M221-T224 WeakPolarHBondContact O-CB 3.37Å; M221-T224 PolarHBondContact O-N 2.99Å; G222-T224 VanDerWaalsContact C-N 3.32Å; G222-T224 PolarHBondContact O-N 3.28Å; T224-R226 VanDerWaalsContact C-N 3.3Å; T224-R226 PolarHBondContact O-N 3.36Å; T224-I227 PolarHBondContact O-N 3.3Å; T224-I228 HydrophobicContact CG2-CD1 3.7Å; T224-I228 HydrophobicContact CG2-CG1 4.33Å; T224-I228 WeakPolarHBondContact O-CB 3.33Å; T224-I228 VanDerWaalsContact O-CG1 3.25Å; T224-I228 WeakPolarHBondContact O-CG1 3.28Å; T224-I228 PolarHBondContact O-N 3.13Å |
| 225 | N | 84 | Confident | 77.5 | Confident | 38 Ų | 38 | 59.4 Ų | 59.4 | 20% | 0.203 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -61.7 | -39.3 | 176.4 | -73 | -20.7 | 0 | 0 | 0 | 111.9 | L170 M221 G222 I228 A229 | L170-N225 HydrophobicContact CD2-CB 4.37Å; L170-N225 PolarHBondContact O-ND2 3.39Å; M221-N225 PolarHBondContact O-N 2.78Å; G222-N225 PolarHBondContact O-N 2.92Å; N225-I228 PolarHBondContact O-N 3.46Å; N225-A229 WeakPolarHBondContact O-CB 3.48Å; N225-A229 PolarHBondContact O-N 2.67Å; N225-A229 VanDerWaalsContact O-N 3.1Å |
| 226 | R | 84.1 | Confident | 75.8 | Confident | 13 Ų | 13 | 59.4 Ų | 59.4 | 5% | 0.049 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -62.6 | -46.3 | 173.4 | -177.6 | -176.8 | 173.7 | -170.4 | 1.5 | 111.9 | G222 D223 T224 A229 E230 S237 C242 D267 | G222-R226 WeakPolarHBondContact O-CB 3.43Å; G222-R226 PolarHBondContact O-N 3.29Å; D223-R226 WeakPolarHBondContact O-CB 3.37Å; D223-R226 PolarHBondContact O-N 3.18Å; T224-R226 VanDerWaalsContact C-N 3.3Å; T224-R226 PolarHBondContact O-N 3.36Å; R226-A229 WeakPolarHBondContact O-CB 3.18Å; R226-A229 PolarHBondContact O-N 3.31Å; R226-E230 PolarHBondContact O-N 2.82Å; R226-S237 PolarHBondContact NH2-O 3.35Å; R226-S237 VanDerWaalsContact NH2-O 3.09Å; R226-C242 PolarHBondContact NE-SG 2.96Å; R226-C242 VanDerWaalsContact NE-SG 3.42Å; R226-D267 IonicContact NH1-OD2 2.7Å; R226-D267 IonicContact NH2-OD2 2.6Å; R226-D267 PolarHBondContact NH2-OD2 2.91Å |
| 227 | I | 77.8 | Confident | 74.7 | Confident | 109 Ų | 109 | 59.3 Ų | 59.3 | 56% | 0.559 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -66.6 | -38.3 | 179 | -67.6 | 164.4 | 0 | 0 | 0 | 111.4 | D223 T224 A229 E230 | D223-I227 VanDerWaalsContact O-CG1 3.23Å; D223-I227 WeakPolarHBondContact O-CG1 2.89Å; D223-I227 PolarHBondContact O-N 3.49Å; T224-I227 PolarHBondContact O-N 3.3Å; I227-A229 VanDerWaalsContact C-N 3.3Å; I227-A229 PolarHBondContact O-N 2.97Å; I227-E230 WeakPolarHBondContact O-CB 3.35Å; I227-E230 PolarHBondContact O-N 2.87Å; I227-E230 VanDerWaalsContact O-N 3.11Å; I227-E230 VanDerWaalsContact O-O 3.07Å |
| 228 | I | 71.5 | Confident | 73.9 | Confident | 85 Ų | 85 | 56.4 Ų | 56.4 | 44% | 0.436 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -66.1 | -36 | 177.5 | -69.1 | 166.8 | 0 | 0 | 0 | 110.9 | T179 T224 N225 E230 | T179-I228 WeakPolarHBondContact O-CG2 3.33Å; T224-I228 HydrophobicContact CG2-CD1 3.7Å; T224-I228 HydrophobicContact CG2-CG1 4.33Å; T224-I228 WeakPolarHBondContact O-CB 3.33Å; T224-I228 VanDerWaalsContact O-CG1 3.25Å; T224-I228 WeakPolarHBondContact O-CG1 3.28Å; T224-I228 PolarHBondContact O-N 3.13Å; N225-I228 PolarHBondContact O-N 3.46Å; I228-E230 VanDerWaalsContact C-N 3.27Å |
| 229 | A | 66.8 | Low | 73.3 | Confident | 8 Ų | 8 | 57.4 Ų | 57.4 | 7% | 0.066 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -69.6 | -25.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113 | L182 N225 R226 I227 T231 | L182-A229 HydrophobicContact CB-CB 3.83Å; L182-A229 HydrophobicContact CD1-CB 3.81Å; L182-A229 HydrophobicContact CG-CB 4.39Å; N225-A229 WeakPolarHBondContact O-CB 3.48Å; N225-A229 PolarHBondContact O-N 2.67Å; N225-A229 VanDerWaalsContact O-N 3.1Å; R226-A229 WeakPolarHBondContact O-CB 3.18Å; R226-A229 PolarHBondContact O-N 3.31Å; I227-A229 VanDerWaalsContact C-N 3.3Å; I227-A229 PolarHBondContact O-N 2.97Å; A229-T231 PolarHBondContact O-N 3.09Å |
| 230 | E | 67 | Low | 73.1 | Confident | 64 Ų | 64 | 57 Ų | 57 | 30% | 0.299 | 30% | 0.298 | S | S | . | . | trans | -76 | 114.5 | 176.6 | -168.1 | 169.3 | -159.5 | 0 | 0 | 110.2 | R226 I227 I228 S237 | R226-E230 PolarHBondContact O-N 2.82Å; I227-E230 WeakPolarHBondContact O-CB 3.35Å; I227-E230 PolarHBondContact O-N 2.87Å; I227-E230 VanDerWaalsContact O-N 3.11Å; I227-E230 VanDerWaalsContact O-O 3.07Å; I228-E230 VanDerWaalsContact C-N 3.27Å; E230-S237 VanDerWaalsContact OE1-CB 3.31Å; E230-S237 WeakPolarHBondContact OE1-CB 3.35Å; E230-S237 PolarHBondContact OE1-OG 3.16Å | ||
| 231 | T | 54.9 | Low | 73.2 | Confident | 66 Ų | 66 | 50.5 Ų | 50.5 | 41% | 0.405 | 27% | 0.27 | S | S | . | . | B | Isolated β-bridge | trans | -113.6 | 156 | 173.3 | 58.7 | 0 | 0 | 0 | 0 | 108.4 | A229 M233 N234 | A229-T231 PolarHBondContact O-N 3.09Å; T231-M233 PolarHBondContact O-N 2.8Å; T231-N234 PolarHBondContact N-O 2.73Å; T231-N234 CarbonylContact O-C 3.51Å; T231-N234 WeakPolarHBondContact O-CA 3.36Å; T231-N234 PolarHBondContact O-N 2.92Å; T231-N234 VanDerWaalsContact OG1-CB 3.24Å; T231-N234 WeakPolarHBondContact OG1-CB 3.46Å; T231-N234 PolarHBondContact OG1-N 2.84Å |
| 232 | P | 53.8 | Low | 73.3 | Confident | 137 Ų | 137 | 47 Ų | 47 | 89% | 0.89 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | -21.8 | 178.9 | -26.1 | 33.9 | 0 | 0 | 0 | 114.4 | ||
| 233 | M | 47.9 | Very low | 73.7 | Confident | 155 Ų | 155 | 47.4 Ų | 47.4 | 76% | 0.764 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.9 | -23.5 | 173.5 | -171.1 | 179.9 | -70.1 | 0 | 0 | 112.5 | T231 L283 | T231-M233 PolarHBondContact O-N 2.8Å; M233-L283 WeakPolarHBondContact O-CD2 3.5Å |
| 234 | N | 53.2 | Low | 74.1 | Confident | 31 Ų | 31 | 46.1 Ų | 46.1 | 17% | 0.166 | 25% | 0.248 | C | C | . | . | B | Isolated β-bridge | trans | -122.3 | 80.4 | -178.7 | -169.3 | 21.8 | 0 | 0 | 0 | 109 | Y163 T231 A236 E286 | Y163-N234 PolarHBondContact OH-OD1 2.96Å; Y163-N234 VanDerWaalsContact OH-OD1 3.09Å; T231-N234 PolarHBondContact N-O 2.73Å; T231-N234 CarbonylContact O-C 3.51Å; T231-N234 WeakPolarHBondContact O-CA 3.36Å; T231-N234 PolarHBondContact O-N 2.92Å; T231-N234 VanDerWaalsContact OG1-CB 3.24Å; T231-N234 WeakPolarHBondContact OG1-CB 3.46Å; T231-N234 PolarHBondContact OG1-N 2.84Å; N234-A236 PolarHBondContact O-N 2.72Å; N234-E286 PolarHBondContact OD1-OE1 3.44Å |
| 235 | E | 59.9 | Low | 74.7 | Confident | 106 Ų | 106 | 44.4 Ų | 44.4 | 50% | 0.495 | 24% | 0.238 | S | C | . | . | trans | -68.4 | 50.5 | 169.2 | -66.5 | -177.5 | 166.5 | 0 | 0 | 110.4 | S237 T238 | E235-S237 PolarHBondContact O-N 3.06Å; E235-S237 VanDerWaalsContact O-N 3.12Å; E235-T238 PolarHBondContact O-N 3.23Å; E235-T238 PolarHBondContact O-OG1 3.06Å | ||
| 236 | A | 58.4 | Low | 75.4 | Confident | 1 Ų | 1 | 42.6 Ų | 42.6 | 1% | 0.008 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -55.1 | -33.5 | -172.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y163 N234 T238 R239 S240 | Y163-A236 HydrophobicContact CD2-CB 4.38Å; Y163-A236 HydrophobicContact CE2-CB 4.1Å; N234-A236 PolarHBondContact O-N 2.72Å; A236-T238 PolarHBondContact O-N 2.74Å; A236-T238 VanDerWaalsContact O-N 3.15Å; A236-R239 CarbonylContact O-C 3.56Å; A236-R239 VanDerWaalsContact O-C 3.27Å; A236-R239 WeakPolarHBondContact O-CA 3.46Å; A236-R239 PolarHBondContact O-N 3.06Å; A236-S240 VanDerWaalsContact O-CB 3.28Å; A236-S240 WeakPolarHBondContact O-CB 3.46Å; A236-S240 PolarHBondContact O-N 3.23Å; A236-S240 PolarHBondContact O-OG 3.27Å |
| 237 | S | 69.5 | Low | 75.9 | Confident | 24 Ų | 24 | 44 Ų | 44 | 17% | 0.168 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -58.4 | -30.2 | 179.8 | 71.9 | 0 | 0 | 0 | 0 | 113.6 | R226 E230 E235 | R226-S237 PolarHBondContact NH2-O 3.35Å; R226-S237 VanDerWaalsContact NH2-O 3.09Å; E230-S237 VanDerWaalsContact OE1-CB 3.31Å; E230-S237 WeakPolarHBondContact OE1-CB 3.35Å; E230-S237 PolarHBondContact OE1-OG 3.16Å; E235-S237 PolarHBondContact O-N 3.06Å; E235-S237 VanDerWaalsContact O-N 3.12Å |
| 238 | T | 76.5 | Confident | 76.8 | Confident | 32 Ų | 32 | 38.8 Ų | 38.8 | 20% | 0.196 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -86 | -17.7 | 177.2 | 68.1 | 0 | 0 | 0 | 0 | 112.4 | T113 E235 A236 A269 G270 | T113-T238 HydrophobicContact CG2-CG2 3.56Å; E235-T238 PolarHBondContact O-N 3.23Å; E235-T238 PolarHBondContact O-OG1 3.06Å; A236-T238 PolarHBondContact O-N 2.74Å; A236-T238 VanDerWaalsContact O-N 3.15Å; T238-A269 WeakPolarHBondContact O-CB 3.5Å; T238-G270 PolarHBondContact O-N 3.27Å |
| 239 | R | 80.8 | Confident | 78 | Confident | 40 Ų | 40 | 36.6 Ų | 36.6 | 15% | 0.151 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -113.6 | 5.7 | -169.6 | -60.8 | -169.6 | 173.4 | -175.4 | 4.1 | 113 | Y163 A236 E286 I290 | Y163-R239 HydrophobicContact CE2-CB 4.43Å; A236-R239 CarbonylContact O-C 3.56Å; A236-R239 VanDerWaalsContact O-C 3.27Å; A236-R239 WeakPolarHBondContact O-CA 3.46Å; A236-R239 PolarHBondContact O-N 3.06Å; R239-E286 HydrophobicContact CB-CG 4.49Å; R239-E286 WeakPolarHBondContact CD-OE1 3.45Å; R239-E286 IonicContact CZ-OE2 3.94Å; R239-E286 IonicContact NH1-OE1 3.08Å; R239-E286 IonicContact NH1-OE2 2.77Å; R239-E286 PolarHBondContact NH1-OE2 2.6Å; R239-I290 HydrophobicContact CB-CD1 3.29Å; R239-I290 HydrophobicContact CB-CG1 3.84Å; R239-I290 HydrophobicContact CG-CD1 3.33Å; R239-I290 HydrophobicContact CG-CG1 4.39Å; R239-I290 WeakPolarHBondContact O-CG1 3.3Å |
| 240 | S | 87.8 | Confident | 79.3 | Confident | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.007 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -125 | 160.6 | 178.5 | 67.9 | 0 | 0 | 0 | 0 | 110.6 | E161 I162 A236 A269 | E161-S240 WeakPolarHBondContact OE1-CB 3.31Å; E161-S240 PolarHBondContact OE1-OG 3.4Å; I162-S240 WeakPolarHBondContact O-CA 3.42Å; I162-S240 WeakPolarHBondContact O-CB 3.41Å; A236-S240 VanDerWaalsContact O-CB 3.28Å; A236-S240 WeakPolarHBondContact O-CB 3.46Å; A236-S240 PolarHBondContact O-N 3.23Å; A236-S240 PolarHBondContact O-OG 3.27Å; S240-A269 WeakPolarHBondContact O-CA 3.35Å; S240-A269 WeakPolarHBondContact O-CB 3.46Å; S240-A269 PolarHBondContact O-N 3.24Å |
| 241 | H | 92.6 | Very high | 80.5 | Confident | 4 Ų | 4 | 37.2 Ų | 37.2 | 2% | 0.019 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 123.8 | 172.3 | -51.8 | -78.3 | 0 | 0 | 0 | 108.8 | E161 I162 D267 L268 A269 S293 M319 | E161-H241 CarbonylContact C-O 3.56Å; E161-H241 WeakPolarHBondContact CA-O 3.45Å; I162-H241 HydrophobicContact CB-CB 4.36Å; I162-H241 PolarHBondContact N-O 3.34Å; I162-H241 PolarHBondContact O-N 2.86Å; H241-D267 CarbonylContact C-O 3.52Å; H241-D267 WeakPolarHBondContact CA-O 3.48Å; H241-L268 HydrophobicContact CB-CD2 4.31Å; H241-L268 WeakPolarHBondContact ND1-CA 3.05Å; H241-L268 WeakPolarHBondContact ND1-CD2 3.26Å; H241-A269 WeakPolarHBondContact CE1-CB 3.28Å; H241-A269 PolarHBondContact CE1-N 2.77Å; H241-A269 PolarHBondContact ND1-N 3.09Å; H241-S293 PolarHBondContact NE2-OG 3.48Å; H241-M319 HydrophobicContact CB-SD 4.26Å; H241-M319 VanDerWaalsContact CE1-SD 3.56Å; H241-M319 VanDerWaalsContact CG-SD 3.54Å; H241-M319 PolarHBondContact ND1-SD 3.37Å |
| 242 | C | 93.1 | Very high | 82.1 | Confident | 2 Ų | 2 | 35.6 Ų | 35.6 | 1% | 0.014 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 130.1 | 177 | -64.1 | 0 | 0 | 0 | 0 | 109.9 | Y159 R226 V266 D267 | Y159-C242 HydrophobicContact CE2-CB 4.06Å; R226-C242 PolarHBondContact NE-SG 2.96Å; R226-C242 VanDerWaalsContact NE-SG 3.42Å; C242-V266 WeakPolarHBondContact O-CA 3.4Å; C242-D267 HydrophobicContact CB-CB 4.25Å; C242-D267 PolarHBondContact N-O 3.09Å; C242-D267 PolarHBondContact O-N 2.67Å |
| 243 | I | 95.5 | Very high | 83.7 | Confident | 7 Ų | 7 | 34.8 Ų | 34.8 | 4% | 0.036 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 105.5 | 178.2 | -58.7 | 170 | 0 | 0 | 0 | 108 | M160 I162 V266 M322 | M160-I243 HydrophobicContact CE-CD1 4.06Å; M160-I243 PolarHBondContact N-O 3.12Å; M160-I243 PolarHBondContact O-N 3.1Å; I162-I243 HydrophobicContact CD1-CD1 3.7Å; I162-I243 HydrophobicContact CG1-CD1 4.47Å; I243-V266 HydrophobicContact CG1-CG1 4.07Å; I243-V266 HydrophobicContact CG1-CG2 4.28Å; I243-V266 HydrophobicContact CG2-CG2 4.27Å; I243-M322 HydrophobicContact CD1-CB 4.08Å; I243-M322 HydrophobicContact CD1-CG 4.11Å |
| 244 | F | 97 | Very high | 85.4 | Confident | 1 Ų | 1 | 31.8 Ų | 31.8 | 0% | 0.004 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 116.4 | 171.7 | -171.3 | -89.2 | 0 | 0 | 0 | 108.6 | I134 L138 I157 Y159 L219 I246 L265 | I134-F244 HydrophobicContact CD1-CB 3.97Å; I134-F244 HydrophobicContact CD1-CG 4.16Å; I134-F244 HydrophobicContact CG2-CD1 3.8Å; I134-F244 HydrophobicContact CG2-CE1 3.67Å; I134-F244 HydrophobicContact CG2-CG 4.26Å; I134-F244 HydrophobicContact CG2-CZ 4.05Å; L138-F244 HydrophobicContact CD1-CZ 4.36Å; L138-F244 HydrophobicContact CD2-CE1 4.49Å; I157-F244 HydrophobicContact CB-CZ 4.43Å; I157-F244 HydrophobicContact CD1-CZ 4.03Å; I157-F244 HydrophobicContact CG1-CE1 4.47Å; I157-F244 HydrophobicContact CG1-CZ 4.22Å; I157-F244 HydrophobicContact CG2-CD2 4.32Å; I157-F244 HydrophobicContact CG2-CE1 3.96Å; I157-F244 HydrophobicContact CG2-CE2 3.53Å; I157-F244 HydrophobicContact CG2-CZ 3.34Å; Y159-F244 AromaticContact CD1-CD2 3.81Å; Y159-F244 HydrophobicContact CD1-CD2 3.81Å; Y159-F244 HydrophobicContact CD1-CE2 4.23Å; Y159-F244 HydrophobicContact CD2-CB 3.91Å; Y159-F244 AromaticContact CD2-CD2 3.75Å; Y159-F244 HydrophobicContact CD2-CD2 3.75Å; Y159-F244 HydrophobicContact CD2-CG 4.33Å; Y159-F244 HydrophobicContact CE1-CD2 4.22Å; Y159-F244 HydrophobicContact CE2-CB 4.04Å; Y159-F244 HydrophobicContact CE2-CD2 4.14Å; Y159-F244 AromaticContact CG-CD2 3.59Å; Y159-F244 HydrophobicContact CG-CD2 3.59Å; Y159-F244 HydrophobicContact CG-CE2 4.29Å; L219-F244 HydrophobicContact CB-CE2 4.14Å; L219-F244 HydrophobicContact CB-CZ 4.45Å; L219-F244 HydrophobicContact CD1-CD2 4.09Å; L219-F244 HydrophobicContact CD1-CE2 4Å; F244-I246 HydrophobicContact CD1-CD1 4.34Å; F244-I246 HydrophobicContact CD1-CG1 3.92Å; F244-I246 HydrophobicContact CE1-CD1 3.94Å; F244-I246 HydrophobicContact CE1-CG1 3.56Å; F244-L265 HydrophobicContact CB-CB 4.35Å; F244-L265 HydrophobicContact CD1-CD1 4.27Å; F244-L265 PolarHBondContact N-O 3.11Å; F244-L265 PolarHBondContact O-N 2.98Å |
| 245 | T | 96.7 | Very high | 87 | Confident | 9 Ų | 9 | 32.4 Ų | 32.4 | 6% | 0.055 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 124.6 | -175.9 | -57.1 | 0 | 0 | 0 | 0 | 110.7 | I157 S158 L263 H264 | I157-T245 WeakPolarHBondContact CA-O 3.43Å; S158-T245 PolarHBondContact N-O 3.19Å; S158-T245 PolarHBondContact O-N 3.01Å; S158-T245 WeakPolarHBondContact OG-CB 3.42Å; T245-L263 WeakPolarHBondContact CA-O 3.35Å; T245-H264 VanDerWaalsContact CG2-CE1 3.43Å; T245-H264 WeakPolarHBondContact CG2-CE1 3.38Å; T245-H264 WeakPolarHBondContact CG2-ND1 3.27Å; T245-H264 PolarHBondContact OG1-ND1 2.92Å |
| 246 | I | 97.6 | Very high | 88.2 | Confident | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 119.3 | 173.4 | -53.3 | 167.5 | 0 | 0 | 0 | 107.8 | L138 L141 L155 I157 F244 I248 L263 L265 | L138-I246 HydrophobicContact CD2-CD1 3.75Å; L138-I246 HydrophobicContact CD2-CG1 4.32Å; L141-I246 HydrophobicContact CD1-CD1 4.07Å; L141-I246 HydrophobicContact CD1-CG2 4.06Å; L155-I246 HydrophobicContact CD1-CG2 3.67Å; L155-I246 HydrophobicContact CD2-CG2 4.21Å; L155-I246 HydrophobicContact CG-CG2 3.75Å; I157-I246 HydrophobicContact CG1-CG1 4.48Å; F244-I246 HydrophobicContact CD1-CD1 4.34Å; F244-I246 HydrophobicContact CD1-CG1 3.92Å; F244-I246 HydrophobicContact CE1-CD1 3.94Å; F244-I246 HydrophobicContact CE1-CG1 3.56Å; I246-I248 HydrophobicContact CG2-CD1 4.43Å; I246-I248 HydrophobicContact CG2-CG1 3.88Å; I246-L263 HydrophobicContact CB-CB 4.29Å; I246-L263 HydrophobicContact CD1-CD2 4.3Å; I246-L263 PolarHBondContact N-O 3.48Å; I246-L263 PolarHBondContact O-N 3.43Å; I246-L265 HydrophobicContact CD1-CD1 3.96Å |
| 247 | H | 96.5 | Very high | 89.7 | Confident | 41 Ų | 41 | 31.6 Ų | 31.6 | 19% | 0.19 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 114.6 | 172.8 | -57.1 | -85.9 | 0 | 0 | 0 | 108.4 | L155 K156 S158 | L155-H247 WeakPolarHBondContact CA-O 3.42Å; K156-H247 HydrophobicContact CB-CB 4.23Å; K156-H247 PolarHBondContact N-O 2.96Å; K156-H247 WeakPolarHBondContact O-CB 3.38Å; K156-H247 PolarHBondContact O-N 3.29Å; S158-H247 PolarHBondContact OG-NE2 3Å |
| 248 | I | 96.8 | Very high | 90.8 | Very high | 1 Ų | 1 | 30.7 Ų | 30.7 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 127.2 | 178.9 | -52.7 | 165.4 | 0 | 0 | 0 | 107.1 | L141 F145 Y153 I246 R260 S261 | L141-I248 HydrophobicContact CD1-CD1 4.03Å; L141-I248 HydrophobicContact CD2-CD1 3.62Å; F145-I248 HydrophobicContact CE1-CG2 4.34Å; F145-I248 HydrophobicContact CZ-CG2 4.16Å; Y153-I248 HydrophobicContact CD1-CG2 4.43Å; I246-I248 HydrophobicContact CG2-CD1 4.43Å; I246-I248 HydrophobicContact CG2-CG1 3.88Å; I248-R260 WeakPolarHBondContact O-CA 3.38Å; I248-S261 WeakPolarHBondContact CB-OG 3.31Å; I248-S261 PolarHBondContact N-O 2.76Å; I248-S261 PolarHBondContact O-N 2.69Å |
| 249 | T | 95.1 | Very high | 91.6 | Very high | 39 Ų | 39 | 32.7 Ų | 32.7 | 24% | 0.239 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 123.7 | 171.3 | -57.4 | 0 | 0 | 0 | 0 | 107.7 | Y153 T154 I258 R259 R260 | Y153-T249 CarbonylContact C-O 3.6Å; Y153-T249 WeakPolarHBondContact CA-O 3.49Å; T154-T249 PolarHBondContact N-O 3.01Å; T154-T249 PolarHBondContact O-N 3.06Å; T249-I258 HydrophobicContact CG2-CG2 3.41Å; T249-I258 VanDerWaalsContact CG2-CG2 3.41Å; T249-R259 CarbonylContact C-O 3.58Å; T249-R259 WeakPolarHBondContact CA-O 3.42Å; T249-R260 HydrophobicContact CG2-CG 4.15Å |
| 250 | S | 93.9 | Very high | 92.2 | Very high | 5 Ų | 5 | 35.6 Ų | 35.6 | 4% | 0.035 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 138.2 | 175.8 | 60.9 | 0 | 0 | 0 | 0 | 110.8 | E152 Y153 R259 | E152-S250 CarbonylContact O-C 3.56Å; E152-S250 WeakPolarHBondContact O-CA 3.37Å; Y153-S250 VanDerWaalsContact CE1-CB 3.41Å; S250-R259 PolarHBondContact N-O 2.86Å; S250-R259 PolarHBondContact O-N 2.75Å; S250-R259 WeakPolarHBondContact OG-CB 3.21Å |
| 251 | R | 92.1 | Very high | 92.6 | Very high | 80 Ų | 80 | 35.8 Ų | 35.8 | 30% | 0.302 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 111.8 | 178.9 | 176.3 | -176.5 | -73.2 | 165.1 | -11.8 | 109.1 | C151 E152 H253 D373 | C151-R251 CarbonylContact C-O 3.58Å; C151-R251 WeakPolarHBondContact CA-O 3.34Å; E152-R251 PolarHBondContact N-O 3.49Å; E152-R251 PolarHBondContact O-N 3.48Å; R251-H253 PolarHBondContact O-N 3Å; R251-D373 IonicContact CZ-OD2 3.96Å; R251-D373 IonicContact NH2-OD2 2.84Å; R251-D373 PolarHBondContact NH2-OD2 3.41Å |
| 252 | P | 90.2 | Very high | 92.7 | Very high | 32 Ų | 32 | 39.7 Ų | 39.7 | 21% | 0.208 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.5 | 137.9 | 171.2 | -21.9 | 33 | 0 | 0 | 0 | 111 | G254 S255 | P252-G254 PolarHBondContact O-N 3.29Å; P252-S255 WeakPolarHBondContact O-CB 3.48Å; P252-S255 PolarHBondContact O-N 3.39Å |
| 253 | H | 86.4 | Confident | 92.8 | Very high | 119 Ų | 119 | 39.6 Ų | 39.6 | 55% | 0.551 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | 132.4 | -179.2 | -66.6 | -59.2 | 0 | 0 | 0 | 111.6 | L149 T150 R251 S255 | L149-H253 PolarHBondContact O-CD2 3.13Å; L149-H253 PolarHBondContact O-NE2 3Å; T150-H253 PolarHBondContact O-CD2 3.41Å; T150-H253 PolarHBondContact O-N 3.09Å; R251-H253 PolarHBondContact O-N 3Å; H253-S255 PolarHBondContact O-N 3.39Å |
| 254 | G | 83.4 | Confident | 92.9 | Very high | 93 Ų | 93 | 40.9 Ų | 40.9 | 96% | 0.959 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 75.9 | -3.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | P252 | P252-G254 PolarHBondContact O-N 3.29Š|
| 255 | S | 86.1 | Confident | 92.9 | Very high | 44 Ų | 44 | 40.9 Ų | 40.9 | 31% | 0.308 | 22% | 0.224 | S | C | . | . | trans | -89 | 143.1 | 176.1 | -172.9 | 0 | 0 | 0 | 0 | 111.7 | P252 H253 V257 | P252-S255 WeakPolarHBondContact O-CB 3.48Å; P252-S255 PolarHBondContact O-N 3.39Å; H253-S255 PolarHBondContact O-N 3.39Å; S255-V257 VanDerWaalsContact C-N 3.25Å; S255-V257 WeakPolarHBondContact OG-CB 3.44Å; S255-V257 PolarHBondContact OG-N 2.75Å | ||
| 256 | S | 85.4 | Confident | 92.9 | Very high | 48 Ų | 48 | 40.5 Ų | 40.5 | 34% | 0.336 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -80.8 | -6.7 | 166.9 | 58.5 | 0 | 0 | 0 | 0 | 112.9 | D373 L376 | S256-D373 PolarHBondContact O-N 2.89Å; S256-L376 VanDerWaalsContact CB-CD1 3.5Å |
| 257 | V | 90.1 | Very high | 92.8 | Very high | 42 Ų | 42 | 40.7 Ų | 40.7 | 26% | 0.255 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 129.2 | -178.5 | -178 | 0 | 0 | 0 | 0 | 110.1 | S255 E370 | S255-V257 VanDerWaalsContact C-N 3.25Å; S255-V257 WeakPolarHBondContact OG-CB 3.44Å; S255-V257 PolarHBondContact OG-N 2.75Å; V257-E370 HydrophobicContact CG1-CB 4.07Å; V257-E370 HydrophobicContact CG1-CG 3.9Å |
| 258 | I | 92.3 | Very high | 92.6 | Very high | 5 Ų | 5 | 38.8 Ų | 38.8 | 3% | 0.026 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 133.8 | 174.4 | -53.7 | 174.3 | 0 | 0 | 0 | 107.9 | T249 R260 E371 D373 | T249-I258 HydrophobicContact CG2-CG2 3.41Å; T249-I258 VanDerWaalsContact CG2-CG2 3.41Å; I258-R260 HydrophobicContact CG2-CG 4.15Å; I258-E371 HydrophobicContact CB-CG 4.18Å; I258-E371 PolarHBondContact N-O 3.43Å; I258-E371 PolarHBondContact O-N 2.93Å; I258-D373 HydrophobicContact CD1-CB 3.92Å; I258-D373 HydrophobicContact CG1-CB 4.39Å |
| 259 | R | 93.8 | Very high | 92.4 | Very high | 73 Ų | 73 | 38.8 Ų | 38.8 | 28% | 0.275 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 133.5 | 171.3 | -73.6 | 172.1 | 179.7 | 161.7 | 2.1 | 109.6 | T249 S250 N369 E370 | T249-R259 CarbonylContact C-O 3.58Å; T249-R259 WeakPolarHBondContact CA-O 3.42Å; S250-R259 PolarHBondContact N-O 2.86Å; S250-R259 PolarHBondContact O-N 2.75Å; S250-R259 WeakPolarHBondContact OG-CB 3.21Å; R259-N369 WeakPolarHBondContact CA-O 3.43Å; R259-E370 HydrophobicContact CG-CG 3.56Å; R259-E370 IonicContact CZ-OE1 2.75Å; R259-E370 IonicContact NE-OE1 2.94Å; R259-E370 PolarHBondContact NE-OE1 2.75Å; R259-E370 IonicContact NH2-OE1 2.87Å; R259-E370 PolarHBondContact NH2-OE1 2.8Å |
| 260 | R | 94.3 | Very high | 92.1 | Very high | 101 Ų | 101 | 37 Ų | 37 | 38% | 0.381 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 129 | 178.7 | -65 | -168.3 | -171.9 | 129.4 | 15.4 | 111.6 | I248 T249 I258 N369 E371 | I248-R260 WeakPolarHBondContact O-CA 3.38Å; T249-R260 HydrophobicContact CG2-CG 4.15Å; I258-R260 HydrophobicContact CG2-CG 4.15Å; R260-N369 PolarHBondContact N-O 3.45Å; R260-N369 VanDerWaalsContact N-O 3.1Å; R260-N369 WeakPolarHBondContact O-CB 3.27Å; R260-N369 PolarHBondContact O-ND2 3.49Å; R260-E371 WeakPolarHBondContact CD-OE1 3.44Å; R260-E371 WeakPolarHBondContact CG-OE1 3.33Å; R260-E371 IonicContact CZ-OE1 2.82Å; R260-E371 IonicContact CZ-OE2 3.93Å; R260-E371 IonicContact NE-OE1 2.76Å; R260-E371 PolarHBondContact NE-OE1 2.85Å; R260-E371 IonicContact NH1-OE1 2.87Å; R260-E371 PolarHBondContact NH1-OE1 2.87Å; R260-E371 IonicContact NH1-OE2 2.75Å; R260-E371 PolarHBondContact NH1-OE2 3.4Å; R260-E371 IonicContact NH2-OE1 3.62Å; R260-E371 PolarHBondContact NH2-OE1 3.15Å; R260-E371 IonicContact NH2-OE2 3.06Å; R260-E371 PolarHBondContact NH2-OE2 3.32Å |
| 261 | S | 94.8 | Very high | 91.8 | Very high | 5 Ų | 5 | 37.3 Ų | 37.3 | 4% | 0.035 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 149.3 | 172.7 | 52.3 | 0 | 0 | 0 | 0 | 111.5 | S99 Y103 I248 | S99-S261 VanDerWaalsContact O-CB 3.26Å; S99-S261 WeakPolarHBondContact O-CB 3.34Å; S99-S261 PolarHBondContact O-OG 3.09Å; Y103-S261 WeakPolarHBondContact O-CB 3.37Å; I248-S261 WeakPolarHBondContact CB-OG 3.31Å; I248-S261 PolarHBondContact N-O 2.76Å; I248-S261 PolarHBondContact O-N 2.69Å |
| 262 | K | 94.8 | Very high | 91.5 | Very high | 86 Ų | 86 | 36 Ų | 36 | 37% | 0.374 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 122.8 | 170 | -57.5 | 179.2 | -169.3 | 171.9 | 0 | 108 | N104 G105 | N104-K262 CarbonylContact C-O 3.58Å; N104-K262 WeakPolarHBondContact CA-O 3.44Å; N104-K262 PolarHBondContact OD1-N 3.38Å; G105-K262 PolarHBondContact N-O 3.5Å |
| 263 | L | 97 | Very high | 90.7 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 109.2 | 173.3 | 177.7 | 60.7 | 0 | 0 | 0 | 108.9 | V95 I96 G105 C137 T245 I246 L265 | V95-L263 HydrophobicContact CG1-CD1 3.94Å; I96-L263 HydrophobicContact CG1-CD2 3.94Å; G105-L263 CarbonylContact O-C 3.28Å; G105-L263 VanDerWaalsContact O-CA 3.29Å; G105-L263 WeakPolarHBondContact O-CA 3.25Å; C137-L263 WeakPolarHBondContact SG-CD2 3.44Å; T245-L263 WeakPolarHBondContact CA-O 3.35Å; I246-L263 HydrophobicContact CB-CB 4.29Å; I246-L263 HydrophobicContact CD1-CD2 4.3Å; I246-L263 PolarHBondContact N-O 3.48Å; I246-L263 PolarHBondContact O-N 3.43Å; L263-L265 HydrophobicContact CD1-CD2 4.27Å; L263-L265 HydrophobicContact CG-CD2 4.18Å; L263-L265 HydrophobicContact CG-CG 4.4Å |
| 264 | H | 96.8 | Very high | 89.8 | Confident | 35 Ų | 35 | 39.2 Ų | 39.2 | 16% | 0.162 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 122.6 | 177.4 | -59.9 | -66.2 | 0 | 0 | 0 | 110.1 | G105 T106 I107 T245 V266 | G105-H264 PolarHBondContact O-N 3.17Å; T106-H264 CarbonylContact C-O 3.48Å; T106-H264 VanDerWaalsContact CA-O 3.32Å; T106-H264 WeakPolarHBondContact CA-O 3.42Å; T106-H264 HydrophobicContact CG2-CB 4.07Å; I107-H264 PolarHBondContact N-O 2.95Å; T245-H264 VanDerWaalsContact CG2-CE1 3.43Å; T245-H264 WeakPolarHBondContact CG2-CE1 3.38Å; T245-H264 WeakPolarHBondContact CG2-ND1 3.27Å; T245-H264 PolarHBondContact OG1-ND1 2.92Å; H264-V266 HydrophobicContact CB-CG2 4.13Å |
| 265 | L | 97.8 | Very high | 88.7 | Confident | 1 Ų | 1 | 42.5 Ų | 42.5 | 1% | 0.005 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 110.1 | 173.9 | -56.2 | 177.5 | 0 | 0 | 0 | 107.3 | I107 I133 I134 C137 F244 I246 L263 | I107-L265 HydrophobicContact CB-CD2 3.91Å; I107-L265 HydrophobicContact CD1-CD2 3.83Å; I107-L265 HydrophobicContact CG1-CD2 4.15Å; I107-L265 WeakPolarHBondContact O-CA 3.2Å; I133-L265 HydrophobicContact CG2-CD2 4.16Å; I134-L265 HydrophobicContact CB-CD1 4.08Å; I134-L265 HydrophobicContact CD1-CB 4.42Å; I134-L265 HydrophobicContact CG1-CB 3.91Å; I134-L265 HydrophobicContact CG1-CD1 3.65Å; I134-L265 HydrophobicContact CG1-CG 4.41Å; I134-L265 HydrophobicContact CG2-CD1 4.16Å; C137-L265 HydrophobicContact CB-CD1 4.27Å; F244-L265 HydrophobicContact CB-CB 4.35Å; F244-L265 HydrophobicContact CD1-CD1 4.27Å; F244-L265 PolarHBondContact N-O 3.11Å; F244-L265 PolarHBondContact O-N 2.98Å; I246-L265 HydrophobicContact CD1-CD1 3.96Å; L263-L265 HydrophobicContact CD1-CD2 4.27Å; L263-L265 HydrophobicContact CG-CD2 4.18Å; L263-L265 HydrophobicContact CG-CG 4.4Å |
| 266 | V | 96.3 | Very high | 86.8 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 124.5 | -164 | -175.3 | 0 | 0 | 0 | 0 | 110.8 | T106 I107 F108 A109 C242 I243 H264 L268 L323 | T106-V266 HydrophobicContact CG2-CG2 4.41Å; I107-V266 PolarHBondContact O-N 3.4Å; F108-V266 VanDerWaalsContact CA-O 3.3Å; F108-V266 WeakPolarHBondContact CA-O 3.19Å; F108-V266 HydrophobicContact CB-CB 3.67Å; F108-V266 HydrophobicContact CB-CG1 4.23Å; F108-V266 HydrophobicContact CB-CG2 4.41Å; A109-V266 PolarHBondContact N-O 3.43Å; C242-V266 WeakPolarHBondContact O-CA 3.4Å; I243-V266 HydrophobicContact CG1-CG1 4.07Å; I243-V266 HydrophobicContact CG1-CG2 4.28Å; I243-V266 HydrophobicContact CG2-CG2 4.27Å; H264-V266 HydrophobicContact CB-CG2 4.13Å; V266-L268 HydrophobicContact CG1-CD2 3.59Å; V266-L268 HydrophobicContact CG1-CG 4.02Å; V266-L323 HydrophobicContact CG2-CD2 4.14Å |
| 267 | D | 95 | Very high | 85.2 | Confident | 4 Ų | 4 | 51.9 Ų | 51.9 | 2% | 0.021 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 103.3 | 170.8 | -174.4 | 25.2 | 0 | 0 | 0 | 107.9 | K117 T118 I121 R226 H241 C242 | K117-D267 WeakPolarHBondContact CB-OD1 3.42Å; T118-D267 WeakPolarHBondContact CA-OD2 3.45Å; T118-D267 WeakPolarHBondContact CB-OD2 3.49Å; T118-D267 PolarHBondContact N-OD1 3.34Å; T118-D267 PolarHBondContact OG1-OD2 3.45Å; I121-D267 HydrophobicContact CB-CB 4.35Å; I121-D267 HydrophobicContact CG1-CB 4.32Å; I121-D267 HydrophobicContact CG2-CB 4.26Å; R226-D267 IonicContact NH1-OD2 2.7Å; R226-D267 IonicContact NH2-OD2 2.6Å; R226-D267 PolarHBondContact NH2-OD2 2.91Å; H241-D267 CarbonylContact C-O 3.52Å; H241-D267 WeakPolarHBondContact CA-O 3.48Å; C242-D267 HydrophobicContact CB-CB 4.25Å; C242-D267 PolarHBondContact N-O 3.09Å; C242-D267 PolarHBondContact O-N 2.67Å |
| 268 | L | 93.3 | Very high | 83.4 | Confident | 2 Ų | 2 | 53.6 Ų | 53.6 | 1% | 0.01 | 26% | 0.26 | C | S | . | . | P | Polyproline II helix | trans | -79.7 | 159.1 | -179.2 | -62.3 | 175.7 | 0 | 0 | 0 | 111 | F108 A109 Y110 K117 H241 V266 L297 M319 | F108-L268 HydrophobicContact CD2-CD1 3.79Å; F108-L268 HydrophobicContact CE2-CD1 4.38Å; A109-L268 WeakPolarHBondContact O-CB 3.46Å; A109-L268 PolarHBondContact O-N 3.35Å; Y110-L268 HydrophobicContact CD2-CD1 3.82Å; K117-L268 WeakPolarHBondContact CD-O 3.32Å; K117-L268 WeakPolarHBondContact CE-O 3.41Å; H241-L268 HydrophobicContact CB-CD2 4.31Å; H241-L268 WeakPolarHBondContact ND1-CA 3.05Å; H241-L268 WeakPolarHBondContact ND1-CD2 3.26Å; V266-L268 HydrophobicContact CG1-CD2 3.59Å; V266-L268 HydrophobicContact CG1-CG 4.02Å; L268-L297 HydrophobicContact CD1-CD2 4Å; L268-M319 HydrophobicContact CD2-CG 4.44Å; L268-M319 HydrophobicContact CD2-SD 3.48Å; L268-M319 WeakPolarHBondContact CD2-SD 3.44Å |
| 269 | A | 91 | Very high | 81.8 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 27% | 0.27 | C | S | . | . | P | Polyproline II helix | trans | -62.3 | 167.5 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | K117 T238 S240 H241 S271 I290 | K117-A269 WeakPolarHBondContact CE-O 3.45Å; T238-A269 WeakPolarHBondContact O-CB 3.5Å; S240-A269 WeakPolarHBondContact O-CA 3.35Å; S240-A269 WeakPolarHBondContact O-CB 3.46Å; S240-A269 PolarHBondContact O-N 3.24Å; H241-A269 WeakPolarHBondContact CE1-CB 3.28Å; H241-A269 PolarHBondContact CE1-N 2.77Å; H241-A269 PolarHBondContact ND1-N 3.09Å; A269-S271 PolarHBondContact O-N 3.06Å; A269-I290 HydrophobicContact CB-CG2 3.61Å |
| 270 | G | 89.8 | Confident | 80.1 | Confident | 2 Ų | 2 | 58.8 Ų | 58.8 | 2% | 0.021 | 29% | 0.293 | C | S | . | . | P | Polyproline II helix | trans | -53.4 | 128.3 | 172 | 0 | 0 | 0 | 0 | 0 | 113.2 | T113 T238 E272 L294 | T113-G270 WeakPolarHBondContact OG1-CA 3.27Å; T238-G270 PolarHBondContact O-N 3.27Å; G270-E272 VanDerWaalsContact C-N 3.27Å; G270-E272 WeakPolarHBondContact CA-OE2 3.39Å; G270-L294 WeakPolarHBondContact O-CD1 3.19Å |
| 271 | S | 87.8 | Confident | 78.9 | Confident | 12 Ų | 12 | 56.5 Ų | 56.5 | 8% | 0.084 | 30% | 0.301 | C | S | . | . | trans | -78.9 | -8.6 | 175.9 | 68.8 | 0 | 0 | 0 | 0 | 114.4 | Y110 G111 Q112 A269 | Y110-S271 VanDerWaalsContact CZ-CB 3.44Å; Y110-S271 WeakPolarHBondContact OH-CB 3.46Å; G111-S271 PolarHBondContact O-N 2.96Å; G111-S271 VanDerWaalsContact O-N 3.08Å; G111-S271 PolarHBondContact O-OG 2.84Å; Q112-S271 PolarHBondContact N-OG 3.43Å; A269-S271 PolarHBondContact O-N 3.06Å | ||
| 272 | E | 84.6 | Confident | 77.6 | Confident | 51 Ų | 51 | 61.6 Ų | 61.6 | 24% | 0.238 | 33% | 0.332 | C | S | . | . | S | Bend | trans | -65.2 | 137.3 | 179.9 | 70.5 | -73.1 | -178 | 0 | 0 | 110.9 | Q112 T113 G270 V274 N291 E348 | Q112-E272 VanDerWaalsContact CA-OE2 3.23Å; Q112-E272 WeakPolarHBondContact CA-OE2 3.46Å; Q112-E272 HydrophobicContact CB-CB 4.27Å; T113-E272 WeakPolarHBondContact CB-OE1 3.46Å; T113-E272 PolarHBondContact N-OE2 3.08Å; T113-E272 VanDerWaalsContact OG1-CD 3.32Å; T113-E272 PolarHBondContact OG1-OE1 3.05Å; T113-E272 PolarHBondContact OG1-OE2 3.21Å; G270-E272 VanDerWaalsContact C-N 3.27Å; G270-E272 WeakPolarHBondContact CA-OE2 3.39Å; E272-V274 PolarHBondContact O-N 3Å; E272-N291 PolarHBondContact O-OD1 3.19Å; E272-E348 WeakPolarHBondContact CA-OE2 3.31Å; E272-E348 HydrophobicContact CB-CG 4.25Å |
| 273 | R | 73.8 | Confident | 76.3 | Confident | 167 Ų | 167 | 59.4 Ų | 59.4 | 63% | 0.63 | 32% | 0.324 | S | S | * | . | trans | -72.9 | 122.3 | 172.5 | -65.2 | 178.5 | -178.9 | -175 | -1.6 | 107.2 | Y275 | R273-Y275 VanDerWaalsContact O-CD2 3.31Å; R273-Y275 WeakPolarHBondContact O-CD2 3.44Å; R273-Y275 PolarHBondContact O-N 2.98Å | ||
| 274 | V | 66.8 | Low | 75 | Confident | 52 Ų | 52 | 62.4 Ų | 62.4 | 32% | 0.315 | 34% | 0.34 | S | S | . | . | trans | -64.8 | 97.5 | 168.4 | -177.6 | 0 | 0 | 0 | 0 | 105.1 | E272 L279 A287 N291 | E272-V274 PolarHBondContact O-N 3Å; V274-L279 HydrophobicContact CG1-CD1 4.29Å; V274-A287 HydrophobicContact CB-CB 4.03Å; V274-A287 HydrophobicContact CG1-CB 3.82Å; V274-A287 HydrophobicContact CG2-CB 3.96Å; V274-N291 PolarHBondContact N-ND2 3.1Å | ||
| 275 | Y | 60.8 | Low | 73.7 | Confident | 162 Ų | 162 | 64 Ų | 64 | 64% | 0.635 | 35% | 0.352 | S | S | * | . | trans | -52.5 | 164.2 | 167 | -70.7 | -83.3 | 0 | 0 | 0 | 107.8 | R273 C277 | R273-Y275 VanDerWaalsContact O-CD2 3.31Å; R273-Y275 WeakPolarHBondContact O-CD2 3.44Å; R273-Y275 PolarHBondContact O-N 2.98Å; Y275-C277 PolarHBondContact O-N 3.14Å | ||
| 276 | K | 47.6 | Very low | 72.4 | Confident | 215 Ų | 215 | 64.4 Ų | 64.4 | 94% | 0.935 | 35% | 0.354 | S | S | * | . | trans | -63.3 | 57.7 | 176.3 | -63.4 | 178.2 | 178.7 | 179.2 | 0 | 111.8 | G278 | K276-G278 PolarHBondContact O-N 2.99Š| ||
| 277 | C | 51.2 | Low | 71 | Confident | 75 Ų | 75 | 64.6 Ų | 64.6 | 51% | 0.507 | 36% | 0.355 | S | S | . | . | trans | -49.6 | 124.5 | 153.4 | -65.1 | 0 | 0 | 0 | 0 | 104 | Y275 L279 | Y275-C277 PolarHBondContact O-N 3.14Å; C277-L279 HydrophobicContact CB-CD1 3.78Å; C277-L279 HydrophobicContact CB-CG 3.65Å; C277-L279 PolarHBondContact O-N 3.11Å | ||
| 278 | G | 51.2 | Low | 70.1 | Confident | 78 Ų | 78 | 70.6 Ų | 70.6 | 80% | 0.804 | 38% | 0.381 | S | S | * | . | trans | -66.8 | 49.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | K276 D280 | K276-G278 PolarHBondContact O-N 2.99Å; G278-D280 PolarHBondContact O-N 2.87Å | ||
| 279 | L | 59.7 | Low | 69.2 | Low | 45 Ų | 45 | 75.2 Ų | 75.2 | 24% | 0.236 | 40% | 0.4 | C | S | . | . | trans | -73.6 | 117.7 | 171 | -62.8 | 170.2 | 0 | 0 | 0 | 105.5 | V274 C277 L283 L284 | V274-L279 HydrophobicContact CG1-CD1 4.29Å; C277-L279 HydrophobicContact CB-CD1 3.78Å; C277-L279 HydrophobicContact CB-CG 3.65Å; C277-L279 PolarHBondContact O-N 3.11Å; L279-L283 HydrophobicContact CB-CB 4.19Å; L279-L283 HydrophobicContact CD2-CB 4.47Å; L279-L283 HydrophobicContact CD2-CD1 4.11Å; L279-L284 WeakPolarHBondContact O-CB 3.44Å | ||
| 280 | D | 58 | Low | 68.3 | Low | 141 Ų | 141 | 75.9 Ų | 75.9 | 75% | 0.754 | 40% | 0.403 | S | S | * | . | trans | -97.5 | 150.8 | 173.7 | -76 | -30.4 | 0 | 0 | 0 | 110.4 | G278 | G278-D280 PolarHBondContact O-N 2.87Š| ||
| 281 | G | 69.6 | Low | 67.7 | Low | 54 Ų | 54 | 77.8 Ų | 77.8 | 56% | 0.557 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.7 | -134.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | L283 L284 T285 | G281-L283 VanDerWaalsContact C-N 3.34Å; G281-L283 PolarHBondContact O-N 2.85Å; G281-L284 WeakPolarHBondContact O-CB 3.35Å; G281-L284 PolarHBondContact O-N 2.78Å; G281-L284 VanDerWaalsContact O-N 3.16Å; G281-T285 PolarHBondContact O-N 3.19Å |
| 282 | T | 66.9 | Low | 67.7 | Low | 111 Ų | 111 | 79.8 Ų | 79.8 | 68% | 0.681 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -63.5 | -35.7 | -171 | 49.6 | 0 | 0 | 0 | 0 | 113.1 | L284 T285 E286 | T282-L284 VanDerWaalsContact C-N 3.26Å; T282-L284 PolarHBondContact O-N 3.48Å; T282-T285 WeakPolarHBondContact CA-OG1 3.43Å; T282-T285 PolarHBondContact O-N 3.03Å; T282-T285 PolarHBondContact O-OG1 3.23Å; T282-E286 WeakPolarHBondContact O-CB 3.38Å; T282-E286 PolarHBondContact O-N 2.84Å |
| 283 | L | 67.1 | Low | 67.9 | Low | 40 Ų | 40 | 77.6 Ų | 77.6 | 21% | 0.209 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -64.8 | -31.6 | 176.9 | -62.1 | 177 | 0 | 0 | 0 | 112 | M233 L279 G281 A287 | M233-L283 WeakPolarHBondContact O-CD2 3.5Å; L279-L283 HydrophobicContact CB-CB 4.19Å; L279-L283 HydrophobicContact CD2-CB 4.47Å; L279-L283 HydrophobicContact CD2-CD1 4.11Å; G281-L283 VanDerWaalsContact C-N 3.34Å; G281-L283 PolarHBondContact O-N 2.85Å; L283-A287 VanDerWaalsContact O-CB 3.22Å; L283-A287 WeakPolarHBondContact O-CB 3.3Å; L283-A287 PolarHBondContact O-N 3.08Å |
| 284 | L | 69.8 | Low | 68.6 | Low | 64 Ų | 64 | 69.9 Ų | 69.9 | 34% | 0.335 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -72.5 | -41.9 | 176.2 | -174.5 | 62.7 | 0 | 0 | 0 | 111.5 | L279 G281 T282 E286 K288 | L279-L284 WeakPolarHBondContact O-CB 3.44Å; G281-L284 WeakPolarHBondContact O-CB 3.35Å; G281-L284 PolarHBondContact O-N 2.78Å; G281-L284 VanDerWaalsContact O-N 3.16Å; T282-L284 VanDerWaalsContact C-N 3.26Å; T282-L284 PolarHBondContact O-N 3.48Å; L284-E286 VanDerWaalsContact C-N 3.34Å; L284-K288 VanDerWaalsContact O-CG 3.26Å; L284-K288 WeakPolarHBondContact O-CG 3.29Å; L284-K288 PolarHBondContact O-N 3.2Å |
| 285 | T | 70.3 | Confident | 69.6 | Low | 68 Ų | 68 | 71.3 Ų | 71.3 | 42% | 0.417 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -62.9 | -44.3 | 174.8 | 41.6 | 0 | 0 | 0 | 0 | 110.8 | G281 T282 K288 Y289 | G281-T285 PolarHBondContact O-N 3.19Å; T282-T285 WeakPolarHBondContact CA-OG1 3.43Å; T282-T285 PolarHBondContact O-N 3.03Å; T282-T285 PolarHBondContact O-OG1 3.23Å; T285-K288 WeakPolarHBondContact O-CB 3.32Å; T285-K288 PolarHBondContact O-N 3.03Å; T285-Y289 WeakPolarHBondContact O-CD2 3.45Å; T285-Y289 PolarHBondContact O-N 3.03Å; T285-Y289 VanDerWaalsContact O-N 3.07Å |
| 286 | E | 69.4 | Low | 71.1 | Confident | 9 Ų | 9 | 66.3 Ų | 66.3 | 4% | 0.042 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -60 | -50.7 | 176.6 | -175.3 | -170.5 | -173 | 0 | 0 | 111.8 | Y163 N234 R239 T282 L284 K288 Y289 I290 | Y163-E286 HydrophobicContact CE2-CG 3.94Å; Y163-E286 WeakPolarHBondContact CE2-OE1 3.19Å; Y163-E286 WeakPolarHBondContact OH-CG 3.19Å; Y163-E286 PolarHBondContact OH-OE1 3.16Å; N234-E286 PolarHBondContact OD1-OE1 3.44Å; R239-E286 HydrophobicContact CB-CG 4.49Å; R239-E286 WeakPolarHBondContact CD-OE1 3.45Å; R239-E286 IonicContact CZ-OE2 3.94Å; R239-E286 IonicContact NH1-OE1 3.08Å; R239-E286 IonicContact NH1-OE2 2.77Å; R239-E286 PolarHBondContact NH1-OE2 2.6Å; T282-E286 WeakPolarHBondContact O-CB 3.38Å; T282-E286 PolarHBondContact O-N 2.84Å; L284-E286 VanDerWaalsContact C-N 3.34Å; E286-K288 PolarHBondContact O-N 3.33Å; E286-Y289 PolarHBondContact O-N 3.37Å; E286-I290 HydrophobicContact CG-CD1 4.33Å; E286-I290 WeakPolarHBondContact O-CD1 3.49Å; E286-I290 VanDerWaalsContact O-CG1 3.3Å; E286-I290 WeakPolarHBondContact O-CG1 3.36Å; E286-I290 PolarHBondContact O-N 3.24Å; E286-I290 VanDerWaalsContact O-N 3.1Å |
| 287 | A | 68.2 | Low | 73.2 | Confident | 4 Ų | 4 | 56.2 Ų | 56.2 | 3% | 0.033 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -54.5 | -36.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113 | V274 L283 N291 | V274-A287 HydrophobicContact CB-CB 4.03Å; V274-A287 HydrophobicContact CG1-CB 3.82Å; V274-A287 HydrophobicContact CG2-CB 3.96Å; L283-A287 VanDerWaalsContact O-CB 3.22Å; L283-A287 WeakPolarHBondContact O-CB 3.3Å; L283-A287 PolarHBondContact O-N 3.08Å; A287-N291 PolarHBondContact O-ND2 3.4Å |
| 288 | K | 75.2 | Confident | 75.1 | Confident | 130 Ų | 130 | 54.6 Ų | 54.6 | 57% | 0.565 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -67 | -45.9 | 175.7 | -74.8 | 169.8 | 179 | 178.1 | 0 | 111.7 | L284 T285 E286 L292 | L284-K288 VanDerWaalsContact O-CG 3.26Å; L284-K288 WeakPolarHBondContact O-CG 3.29Å; L284-K288 PolarHBondContact O-N 3.2Å; T285-K288 WeakPolarHBondContact O-CB 3.32Å; T285-K288 PolarHBondContact O-N 3.03Å; E286-K288 PolarHBondContact O-N 3.33Å; K288-L292 VanDerWaalsContact O-CB 3.24Å; K288-L292 WeakPolarHBondContact O-CB 3.29Å; K288-L292 PolarHBondContact O-N 3.19Å |
| 289 | Y | 75.2 | Confident | 77 | Confident | 100 Ų | 100 | 53.7 Ų | 53.7 | 39% | 0.392 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -71.1 | -33.7 | -175.8 | -78.7 | -74.2 | 0 | 0 | 0 | 113.8 | N164 E165 T285 E286 L292 S293 | N164-Y289 WeakPolarHBondContact OD1-CD2 3.45Å; N164-Y289 WeakPolarHBondContact OD1-CE2 3.41Å; E165-Y289 HydrophobicContact CG-CD1 3.91Å; E165-Y289 HydrophobicContact CG-CE1 4.45Å; T285-Y289 WeakPolarHBondContact O-CD2 3.45Å; T285-Y289 PolarHBondContact O-N 3.03Å; T285-Y289 VanDerWaalsContact O-N 3.07Å; E286-Y289 PolarHBondContact O-N 3.37Å; Y289-L292 HydrophobicContact CD1-CD2 3.95Å; Y289-L292 HydrophobicContact CE1-CD2 4.19Å; Y289-L292 WeakPolarHBondContact O-CB 3.45Å; Y289-L292 PolarHBondContact O-N 3.45Å; Y289-S293 PolarHBondContact O-N 2.71Å; Y289-S293 PolarHBondContact O-OG 2.92Å |
| 290 | I | 70.8 | Confident | 78.6 | Confident | 14 Ų | 14 | 51.5 Ų | 51.5 | 7% | 0.072 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60.1 | -54.4 | 174.3 | -55.7 | 154 | 0 | 0 | 0 | 110.1 | R239 A269 E286 L292 S293 L294 | R239-I290 HydrophobicContact CB-CD1 3.29Å; R239-I290 HydrophobicContact CB-CG1 3.84Å; R239-I290 HydrophobicContact CG-CD1 3.33Å; R239-I290 HydrophobicContact CG-CG1 4.39Å; R239-I290 WeakPolarHBondContact O-CG1 3.3Å; A269-I290 HydrophobicContact CB-CG2 3.61Å; E286-I290 HydrophobicContact CG-CD1 4.33Å; E286-I290 WeakPolarHBondContact O-CD1 3.49Å; E286-I290 VanDerWaalsContact O-CG1 3.3Å; E286-I290 WeakPolarHBondContact O-CG1 3.36Å; E286-I290 PolarHBondContact O-N 3.24Å; E286-I290 VanDerWaalsContact O-N 3.1Å; I290-L292 PolarHBondContact O-N 3.45Å; I290-S293 PolarHBondContact O-N 3.38Å; I290-S293 PolarHBondContact O-OG 3.34Å; I290-L294 PolarHBondContact O-N 3.34Å; I290-L294 VanDerWaalsContact O-N 3.12Å |
| 291 | N | 78.7 | Confident | 80.2 | Confident | 41 Ų | 41 | 44.8 Ų | 44.8 | 22% | 0.219 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.1 | -32 | 178.7 | -76.5 | -65.1 | 0 | 0 | 0 | 111.2 | E272 V274 A287 H295 | E272-N291 PolarHBondContact O-OD1 3.19Å; V274-N291 PolarHBondContact N-ND2 3.1Å; A287-N291 PolarHBondContact O-ND2 3.4Å; N291-H295 WeakPolarHBondContact O-CB 3.47Å; N291-H295 PolarHBondContact O-N 3.18Å |
| 292 | L | 86.6 | Confident | 81.1 | Confident | 55 Ų | 55 | 44.5 Ų | 44.5 | 29% | 0.288 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -66.8 | -48 | 175.8 | -172 | 62.8 | 0 | 0 | 0 | 112 | K288 Y289 I290 L294 H295 Y296 | K288-L292 VanDerWaalsContact O-CB 3.24Å; K288-L292 WeakPolarHBondContact O-CB 3.29Å; K288-L292 PolarHBondContact O-N 3.19Å; Y289-L292 HydrophobicContact CD1-CD2 3.95Å; Y289-L292 HydrophobicContact CE1-CD2 4.19Å; Y289-L292 WeakPolarHBondContact O-CB 3.45Å; Y289-L292 PolarHBondContact O-N 3.45Å; I290-L292 PolarHBondContact O-N 3.45Å; L292-L294 PolarHBondContact O-N 2.98Å; L292-H295 WeakPolarHBondContact O-CB 3.5Å; L292-H295 PolarHBondContact O-N 3.15Å; L292-Y296 HydrophobicContact CD1-CD2 4.37Å; L292-Y296 HydrophobicContact CD1-CE1 4.08Å; L292-Y296 HydrophobicContact CD1-CE2 3.69Å; L292-Y296 HydrophobicContact CD2-CE2 3.93Å; L292-Y296 HydrophobicContact CG-CD2 4.03Å; L292-Y296 HydrophobicContact CG-CE2 3.42Å; L292-Y296 VanDerWaalsContact CG-CE2 3.42Å; L292-Y296 VanDerWaalsContact O-CD2 3.23Å; L292-Y296 WeakPolarHBondContact O-CD2 3.38Å; L292-Y296 PolarHBondContact O-N 2.98Å |
| 293 | S | 88.1 | Confident | 82.2 | Confident | 4 Ų | 4 | 39.3 Ų | 39.3 | 3% | 0.028 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -60.6 | -44.1 | 179.2 | 70.2 | 0 | 0 | 0 | 0 | 111.8 | E165 H241 Y289 I290 Y296 L297 M319 | E165-S293 WeakPolarHBondContact OE1-CB 3.34Å; H241-S293 PolarHBondContact NE2-OG 3.48Å; Y289-S293 PolarHBondContact O-N 2.71Å; Y289-S293 PolarHBondContact O-OG 2.92Å; I290-S293 PolarHBondContact O-N 3.38Å; I290-S293 PolarHBondContact O-OG 3.34Å; S293-Y296 PolarHBondContact O-N 3.3Å; S293-L297 PolarHBondContact O-N 2.99Å; S293-L297 VanDerWaalsContact O-N 3.08Å; S293-M319 WeakPolarHBondContact O-CE 3.37Å |
| 294 | L | 88.7 | Confident | 83.3 | Confident | 5 Ų | 5 | 39.7 Ų | 39.7 | 3% | 0.026 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -70.5 | -35.7 | 175.7 | -70 | -177.3 | 0 | 0 | 0 | 112.3 | Y110 G270 I290 L292 Y296 L297 E298 M319 | Y110-L294 HydrophobicContact CE2-CD2 4.09Å; G270-L294 WeakPolarHBondContact O-CD1 3.19Å; I290-L294 PolarHBondContact O-N 3.34Å; I290-L294 VanDerWaalsContact O-N 3.12Å; L292-L294 PolarHBondContact O-N 2.98Å; L294-Y296 VanDerWaalsContact C-N 3.33Å; L294-Y296 PolarHBondContact O-N 2.7Å; L294-L297 HydrophobicContact CD2-CD2 4.29Å; L294-L297 WeakPolarHBondContact O-CB 3.21Å; L294-L297 PolarHBondContact O-N 3.34Å; L294-E298 WeakPolarHBondContact O-CG 3.42Å; L294-E298 PolarHBondContact O-N 2.82Å; L294-M319 HydrophobicContact CD2-CE 4.29Å |
| 295 | H | 88.7 | Confident | 84 | Confident | 83 Ų | 83 | 38.4 Ų | 38.4 | 38% | 0.384 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -60.8 | -43.3 | 172.7 | 178.2 | 69.7 | 0 | 0 | 0 | 111.4 | N291 L292 L297 E298 Q299 | N291-H295 WeakPolarHBondContact O-CB 3.47Å; N291-H295 PolarHBondContact O-N 3.18Å; L292-H295 WeakPolarHBondContact O-CB 3.5Å; L292-H295 PolarHBondContact O-N 3.15Å; H295-L297 VanDerWaalsContact C-N 3.33Å; H295-L297 PolarHBondContact O-N 3.2Å; H295-E298 WeakPolarHBondContact O-CB 3.21Å; H295-E298 PolarHBondContact O-N 2.89Å; H295-Q299 PolarHBondContact CE1-NE2 3.36Å; H295-Q299 PolarHBondContact NE2-NE2 2.94Å; H295-Q299 WeakPolarHBondContact O-CG 3.35Å; H295-Q299 PolarHBondContact O-N 3.46Å |
| 296 | Y | 92 | Very high | 84.7 | Confident | 57 Ų | 57 | 39.6 Ų | 39.6 | 22% | 0.224 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -65.3 | -38 | 175.6 | -66.4 | -41.9 | 0 | 0 | 0 | 112.6 | L292 S293 L294 E298 Q299 V300 N316 | L292-Y296 HydrophobicContact CD1-CD2 4.37Å; L292-Y296 HydrophobicContact CD1-CE1 4.08Å; L292-Y296 HydrophobicContact CD1-CE2 3.69Å; L292-Y296 HydrophobicContact CD2-CE2 3.93Å; L292-Y296 HydrophobicContact CG-CD2 4.03Å; L292-Y296 HydrophobicContact CG-CE2 3.42Å; L292-Y296 VanDerWaalsContact CG-CE2 3.42Å; L292-Y296 VanDerWaalsContact O-CD2 3.23Å; L292-Y296 WeakPolarHBondContact O-CD2 3.38Å; L292-Y296 PolarHBondContact O-N 2.98Å; S293-Y296 PolarHBondContact O-N 3.3Å; L294-Y296 VanDerWaalsContact C-N 3.33Å; L294-Y296 PolarHBondContact O-N 2.7Å; Y296-E298 VanDerWaalsContact C-N 3.34Å; Y296-Q299 PolarHBondContact O-N 3.03Å; Y296-V300 WeakPolarHBondContact O-CG2 3.47Å; Y296-V300 PolarHBondContact O-N 3.32Å; Y296-N316 HydrophobicContact CD1-CB 3.55Å; Y296-N316 WeakPolarHBondContact CD1-ND2 3.46Å; Y296-N316 HydrophobicContact CD2-CB 3.76Å; Y296-N316 WeakPolarHBondContact CD2-O 3.39Å; Y296-N316 HydrophobicContact CE1-CB 3.79Å; Y296-N316 WeakPolarHBondContact CE1-ND2 3.12Å; Y296-N316 HydrophobicContact CE2-CB 3.94Å; Y296-N316 WeakPolarHBondContact CE2-O 3.32Å; Y296-N316 HydrophobicContact CG-CB 3.52Å |
| 297 | L | 92.5 | Very high | 84.8 | Confident | 3 Ų | 3 | 49.4 Ų | 49.4 | 2% | 0.016 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -57.7 | -48.3 | 170.7 | -178.3 | 63.4 | 0 | 0 | 0 | 110.7 | L268 S293 L294 H295 Q299 V300 I301 M319 T320 L327 F355 | L268-L297 HydrophobicContact CD1-CD2 4Å; S293-L297 PolarHBondContact O-N 2.99Å; S293-L297 VanDerWaalsContact O-N 3.08Å; L294-L297 HydrophobicContact CD2-CD2 4.29Å; L294-L297 WeakPolarHBondContact O-CB 3.21Å; L294-L297 PolarHBondContact O-N 3.34Å; H295-L297 VanDerWaalsContact C-N 3.33Å; H295-L297 PolarHBondContact O-N 3.2Å; L297-Q299 VanDerWaalsContact C-N 3.32Å; L297-Q299 PolarHBondContact O-N 3.21Å; L297-V300 PolarHBondContact O-N 3.47Å; L297-I301 VanDerWaalsContact O-CG1 3.31Å; L297-I301 WeakPolarHBondContact O-CG1 3.17Å; L297-I301 PolarHBondContact O-N 2.93Å; L297-M319 HydrophobicContact CB-CE 3.81Å; L297-M319 HydrophobicContact CD2-CE 4.12Å; L297-M319 HydrophobicContact CG-CE 4.47Å; L297-T320 HydrophobicContact CB-CG2 4.07Å; L297-T320 HydrophobicContact CD1-CG2 4.28Å; L297-L327 HydrophobicContact CD1-CD1 3.39Å; L297-F355 HydrophobicContact CD2-CZ 4.33Å; L297-F355 HydrophobicContact CG-CZ 4.32Å |
| 298 | E | 91.2 | Very high | 84.9 | Confident | 40 Ų | 40 | 57.8 Ų | 57.8 | 19% | 0.187 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -56.8 | -43.1 | 174.8 | -71.1 | -175.3 | 176.7 | 0 | 0 | 113 | L294 H295 Y296 V300 I301 I302 F355 | L294-E298 WeakPolarHBondContact O-CG 3.42Å; L294-E298 PolarHBondContact O-N 2.82Å; H295-E298 WeakPolarHBondContact O-CB 3.21Å; H295-E298 PolarHBondContact O-N 2.89Å; Y296-E298 VanDerWaalsContact C-N 3.34Å; E298-V300 PolarHBondContact O-N 3.29Å; E298-I301 PolarHBondContact O-N 3.36Å; E298-I302 VanDerWaalsContact O-CG1 3.27Å; E298-I302 WeakPolarHBondContact O-CG1 3.23Å; E298-I302 PolarHBondContact O-N 3.14Å; E298-F355 HydrophobicContact CB-CE2 4.41Å; E298-F355 HydrophobicContact CG-CD2 3.79Å; E298-F355 HydrophobicContact CG-CE2 3.7Å |
| 299 | Q | 91.3 | Very high | 85 | Confident | 59 Ų | 59 | 57 Ų | 57 | 28% | 0.276 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -63.5 | -40.3 | 177.6 | -68.4 | -64.8 | -11.7 | 0 | 0 | 112.3 | H295 Y296 L297 I302 A303 P313 | H295-Q299 PolarHBondContact CE1-NE2 3.36Å; H295-Q299 PolarHBondContact NE2-NE2 2.94Å; H295-Q299 WeakPolarHBondContact O-CG 3.35Å; H295-Q299 PolarHBondContact O-N 3.46Å; Y296-Q299 PolarHBondContact O-N 3.03Å; L297-Q299 VanDerWaalsContact C-N 3.32Å; L297-Q299 PolarHBondContact O-N 3.21Å; Q299-I302 PolarHBondContact O-N 2.98Å; Q299-A303 WeakPolarHBondContact O-CB 3.36Å; Q299-A303 PolarHBondContact O-N 3.32Å; Q299-P313 HydrophobicContact CB-CG 4.44Å |
| 300 | V | 92.4 | Very high | 85.1 | Confident | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62.7 | -45.5 | 174.8 | 167.7 | 0 | 0 | 0 | 0 | 110.3 | Y296 L297 E298 I302 A303 L304 V312 P313 Y314 T320 L327 | Y296-V300 WeakPolarHBondContact O-CG2 3.47Å; Y296-V300 PolarHBondContact O-N 3.32Å; L297-V300 PolarHBondContact O-N 3.47Å; E298-V300 PolarHBondContact O-N 3.29Å; V300-I302 PolarHBondContact O-N 3.05Å; V300-A303 PolarHBondContact O-N 3.29Å; V300-L304 HydrophobicContact CG1-CD1 3.64Å; V300-L304 HydrophobicContact CG1-CG 4.42Å; V300-L304 WeakPolarHBondContact O-CB 3.48Å; V300-L304 WeakPolarHBondContact O-CD1 3.41Å; V300-L304 VanDerWaalsContact O-CG 3.24Å; V300-L304 WeakPolarHBondContact O-CG 3.29Å; V300-L304 PolarHBondContact O-N 3.32Å; V300-V312 HydrophobicContact CB-CG1 4.39Å; V300-V312 HydrophobicContact CG1-CG1 3.87Å; V300-V312 HydrophobicContact CG2-CG1 4.3Å; V300-P313 HydrophobicContact CG2-CG 4.13Å; V300-Y314 HydrophobicContact CG1-CD1 3.8Å; V300-Y314 HydrophobicContact CG1-CE1 3.46Å; V300-Y314 VanDerWaalsContact CG1-CE1 3.46Å; V300-Y314 HydrophobicContact CG2-CD1 4.27Å; V300-T320 HydrophobicContact CG2-CG2 4.07Å; V300-L327 HydrophobicContact CG1-CD1 4.26Å |
| 301 | I | 91.5 | Very high | 85.8 | Confident | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -61.3 | -45.4 | 178 | -63.8 | -57.6 | 0 | 0 | 0 | 111.5 | L297 E298 L304 A305 L327 F355 R358 V359 I362 | L297-I301 VanDerWaalsContact O-CG1 3.31Å; L297-I301 WeakPolarHBondContact O-CG1 3.17Å; L297-I301 PolarHBondContact O-N 2.93Å; E298-I301 PolarHBondContact O-N 3.36Å; I301-L304 PolarHBondContact O-N 2.93Å; I301-A305 WeakPolarHBondContact O-CB 3.49Å; I301-A305 PolarHBondContact O-N 3.45Å; I301-L327 HydrophobicContact CD1-CD1 4.02Å; I301-L327 HydrophobicContact CD1-CD2 3.76Å; I301-L327 HydrophobicContact CD1-CG 4.32Å; I301-F355 HydrophobicContact CB-CE2 4.34Å; I301-F355 HydrophobicContact CG1-CE2 3.93Å; I301-F355 HydrophobicContact CG1-CZ 3.95Å; I301-F355 HydrophobicContact CG2-CE2 4.47Å; I301-R358 HydrophobicContact CG2-CB 3.9Å; I301-V359 HydrophobicContact CD1-CG2 4.01Å; I301-V359 HydrophobicContact CG1-CG2 4.13Å; I301-V359 HydrophobicContact CG2-CG2 3.86Å; I301-I362 HydrophobicContact CB-CD1 4.2Å; I301-I362 HydrophobicContact CD1-CD1 3.38Å; I301-I362 HydrophobicContact CG1-CD1 4.33Å; I301-I362 HydrophobicContact CG2-CD1 3.9Å |
| 302 | I | 89.1 | Confident | 86.2 | Confident | 48 Ų | 48 | 64 Ų | 64 | 25% | 0.246 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -62.9 | -46.7 | 177.9 | -67.9 | 164 | 0 | 0 | 0 | 110.2 | E298 Q299 V300 L304 A305 E306 | E298-I302 VanDerWaalsContact O-CG1 3.27Å; E298-I302 WeakPolarHBondContact O-CG1 3.23Å; E298-I302 PolarHBondContact O-N 3.14Å; Q299-I302 PolarHBondContact O-N 2.98Å; V300-I302 PolarHBondContact O-N 3.05Å; I302-L304 VanDerWaalsContact C-N 3.27Å; I302-L304 PolarHBondContact O-N 3.45Å; I302-A305 PolarHBondContact O-N 3.17Å; I302-E306 HydrophobicContact CG2-CG 4.49Å; I302-E306 WeakPolarHBondContact CG2-OE1 3.29Å; I302-E306 WeakPolarHBondContact O-CG 3.43Å; I302-E306 PolarHBondContact O-N 3.46Å |
| 303 | A | 90.1 | Very high | 86.4 | Confident | 1 Ų | 1 | 62 Ų | 62 | 1% | 0.008 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -60.2 | -36.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q299 V300 V312 | Q299-A303 WeakPolarHBondContact O-CB 3.36Å; Q299-A303 PolarHBondContact O-N 3.32Å; V300-A303 PolarHBondContact O-N 3.29Å; A303-V312 HydrophobicContact CB-CG1 4.36Å; A303-V312 HydrophobicContact CB-CG2 4.42Å |
| 304 | L | 89.4 | Confident | 86.4 | Confident | 48 Ų | 48 | 63.2 Ų | 63.2 | 25% | 0.251 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -77.3 | -30.1 | 178.2 | -70.9 | 166.1 | 0 | 0 | 0 | 113.2 | V300 I301 I302 E306 V312 Y314 L327 I362 | V300-L304 HydrophobicContact CG1-CD1 3.64Å; V300-L304 HydrophobicContact CG1-CG 4.42Å; V300-L304 WeakPolarHBondContact O-CB 3.48Å; V300-L304 WeakPolarHBondContact O-CD1 3.41Å; V300-L304 VanDerWaalsContact O-CG 3.24Å; V300-L304 WeakPolarHBondContact O-CG 3.29Å; V300-L304 PolarHBondContact O-N 3.32Å; I301-L304 PolarHBondContact O-N 2.93Å; I302-L304 VanDerWaalsContact C-N 3.27Å; I302-L304 PolarHBondContact O-N 3.45Å; L304-E306 VanDerWaalsContact C-N 3.33Å; L304-V312 HydrophobicContact CD1-CG1 4.42Å; L304-V312 HydrophobicContact CD2-CG1 4.15Å; L304-V312 HydrophobicContact CD2-CG2 3.79Å; L304-V312 HydrophobicContact CG-CG1 3.99Å; L304-V312 HydrophobicContact CG-CG2 4.27Å; L304-Y314 HydrophobicContact CD1-CE1 4.39Å; L304-Y314 WeakPolarHBondContact CD1-OH 3.42Å; L304-Y314 WeakPolarHBondContact CD2-OH 3.49Å; L304-L327 HydrophobicContact CD1-CB 4.09Å; L304-L327 WeakPolarHBondContact CD1-O 3.41Å; L304-I362 HydrophobicContact CB-CD1 3.92Å; L304-I362 HydrophobicContact CB-CG1 4.01Å; L304-I362 HydrophobicContact CD1-CD1 4.18Å |
| 305 | A | 85.5 | Confident | 86.4 | Confident | 37 Ų | 37 | 71.2 Ų | 71.2 | 31% | 0.306 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -72.5 | -29.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112 | I301 I302 K307 L361 | I301-A305 WeakPolarHBondContact O-CB 3.49Å; I301-A305 PolarHBondContact O-N 3.45Å; I302-A305 PolarHBondContact O-N 3.17Å; A305-K307 PolarHBondContact O-N 3.09Å; A305-L361 HydrophobicContact CB-CB 4.47Å |
| 306 | E | 85.1 | Confident | 86.3 | Confident | 94 Ų | 94 | 70.9 Ų | 70.9 | 44% | 0.439 | 34% | 0.337 | S | S | . | . | trans | -78.5 | 109 | 176.6 | -73 | 173.3 | 178.4 | 0 | 0 | 112 | I302 L304 Q308 R309 | I302-E306 HydrophobicContact CG2-CG 4.49Å; I302-E306 WeakPolarHBondContact CG2-OE1 3.29Å; I302-E306 WeakPolarHBondContact O-CG 3.43Å; I302-E306 PolarHBondContact O-N 3.46Å; L304-E306 VanDerWaalsContact C-N 3.33Å; E306-Q308 PolarHBondContact O-N 3.28Å; E306-Q308 VanDerWaalsContact O-N 3.11Å; E306-R309 HydrophobicContact CB-CB 4.38Å; E306-R309 PolarHBondContact O-N 2.87Å; E306-R309 IonicContact OE2-NH1 2.72Å | ||
| 307 | K | 70.2 | Confident | 86.2 | Confident | 214 Ų | 214 | 68.4 Ų | 68.4 | 93% | 0.93 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -24.1 | -179.2 | -64.4 | -177.9 | -179 | 176.4 | 0 | 115.2 | A305 | A305-K307 PolarHBondContact O-N 3.09Š|
| 308 | Q | 70.8 | Confident | 86 | Confident | 181 Ų | 181 | 69.4 Ų | 69.4 | 85% | 0.846 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.9 | -5.4 | -170.6 | -164.8 | 57.6 | 29.7 | 0 | 0 | 113.3 | E306 | E306-Q308 PolarHBondContact O-N 3.28Å; E306-Q308 VanDerWaalsContact O-N 3.11Å |
| 309 | R | 77.5 | Confident | 85.9 | Confident | 113 Ų | 113 | 67.5 Ų | 67.5 | 43% | 0.426 | 32% | 0.324 | S | S | . | . | trans | -90.6 | 125.1 | -173.4 | -161.9 | 163.9 | -179.1 | 158.6 | 0.4 | 111.1 | E306 | E306-R309 HydrophobicContact CB-CB 4.38Å; E306-R309 PolarHBondContact O-N 2.87Å; E306-R309 IonicContact OE2-NH1 2.72Å | ||
| 310 | T | 78 | Confident | 85.8 | Confident | 148 Ų | 148 | 64.7 Ų | 64.7 | 91% | 0.908 | 31% | 0.311 | S | S | * | . | trans | -86.3 | -30.2 | -178.6 | 52.2 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 311 | H | 84.5 | Confident | 85.7 | Confident | 123 Ų | 123 | 65.3 Ų | 65.3 | 57% | 0.569 | 31% | 0.314 | S | S | * | . | trans | -114.9 | 122 | -176.2 | -178.1 | -95.1 | 0 | 0 | 0 | 112.1 | ||||
| 312 | V | 88.1 | Confident | 85.5 | Confident | 31 Ų | 31 | 66.6 Ų | 66.6 | 19% | 0.188 | 32% | 0.32 | C | S | . | . | trans | -105.9 | 123.3 | 176.8 | -176.5 | 0 | 0 | 0 | 0 | 109.4 | V300 A303 L304 Y314 | V300-V312 HydrophobicContact CB-CG1 4.39Å; V300-V312 HydrophobicContact CG1-CG1 3.87Å; V300-V312 HydrophobicContact CG2-CG1 4.3Å; A303-V312 HydrophobicContact CB-CG1 4.36Å; A303-V312 HydrophobicContact CB-CG2 4.42Å; L304-V312 HydrophobicContact CD1-CG1 4.42Å; L304-V312 HydrophobicContact CD2-CG1 4.15Å; L304-V312 HydrophobicContact CD2-CG2 3.79Å; L304-V312 HydrophobicContact CG-CG1 3.99Å; L304-V312 HydrophobicContact CG-CG2 4.27Å; V312-Y314 VanDerWaalsContact C-N 3.27Å; V312-Y314 HydrophobicContact CB-CD2 3.94Å; V312-Y314 HydrophobicContact CB-CE2 3.61Å; V312-Y314 HydrophobicContact CG1-CD1 4.39Å; V312-Y314 HydrophobicContact CG1-CD2 3.72Å; V312-Y314 HydrophobicContact CG1-CE1 4.08Å; V312-Y314 HydrophobicContact CG1-CE2 3.35Å; V312-Y314 HydrophobicContact CG1-CG 4.24Å; V312-Y314 HydrophobicContact CG2-CE2 4.45Å; V312-Y314 PolarHBondContact O-N 2.97Å | ||
| 313 | P | 89.5 | Confident | 85.6 | Confident | 13 Ų | 13 | 64.5 Ų | 64.5 | 8% | 0.084 | 31% | 0.31 | C | S | . | . | trans | -83.3 | 55.2 | -168.8 | 35.6 | -38.2 | 0 | 0 | 0 | 113.8 | Q299 V300 R315 N316 | Q299-P313 HydrophobicContact CB-CG 4.44Å; V300-P313 HydrophobicContact CG2-CG 4.13Å; P313-R315 PolarHBondContact O-N 3.28Å; P313-N316 PolarHBondContact O-N 2.87Å | ||
| 314 | Y | 88.9 | Confident | 85.6 | Confident | 30 Ų | 30 | 67.7 Ų | 67.7 | 12% | 0.118 | 32% | 0.321 | C | S | . | . | G | 310 helix | trans | -60.9 | -26.3 | 178.5 | -65.8 | -74.2 | 0 | 0 | 0 | 113.9 | V300 L304 V312 N316 T320 M321 R324 | V300-Y314 HydrophobicContact CG1-CD1 3.8Å; V300-Y314 HydrophobicContact CG1-CE1 3.46Å; V300-Y314 VanDerWaalsContact CG1-CE1 3.46Å; V300-Y314 HydrophobicContact CG2-CD1 4.27Å; L304-Y314 HydrophobicContact CD1-CE1 4.39Å; L304-Y314 WeakPolarHBondContact CD1-OH 3.42Å; L304-Y314 WeakPolarHBondContact CD2-OH 3.49Å; V312-Y314 VanDerWaalsContact C-N 3.27Å; V312-Y314 HydrophobicContact CB-CD2 3.94Å; V312-Y314 HydrophobicContact CB-CE2 3.61Å; V312-Y314 HydrophobicContact CG1-CD1 4.39Å; V312-Y314 HydrophobicContact CG1-CD2 3.72Å; V312-Y314 HydrophobicContact CG1-CE1 4.08Å; V312-Y314 HydrophobicContact CG1-CE2 3.35Å; V312-Y314 HydrophobicContact CG1-CG 4.24Å; V312-Y314 HydrophobicContact CG2-CE2 4.45Å; V312-Y314 PolarHBondContact O-N 2.97Å; Y314-N316 PolarHBondContact O-N 2.88Å; Y314-T320 WeakPolarHBondContact CD1-O 3.33Å; Y314-T320 PolarHBondContact O-OG1 3.32Å; Y314-M321 PolarHBondContact O-N 2.93Å; Y314-R324 HydrophobicContact CD1-CB 3.93Å; Y314-R324 HydrophobicContact CD1-CG 4.03Å; Y314-R324 HydrophobicContact CD2-CG 4.04Å; Y314-R324 HydrophobicContact CE1-CB 4.19Å; Y314-R324 HydrophobicContact CE1-CG 4.1Å; Y314-R324 HydrophobicContact CE2-CG 4.1Å; Y314-R324 HydrophobicContact CG-CB 4.23Å; Y314-R324 HydrophobicContact CG-CG 3.98Å |
| 315 | R | 88.3 | Confident | 85.5 | Confident | 173 Ų | 173 | 68 Ų | 68 | 65% | 0.653 | 32% | 0.323 | S | S | * | . | G | 310 helix | trans | -73.6 | -7.1 | -177.1 | -73 | -177.9 | -177.3 | 140.7 | 1.4 | 114.6 | E192 P313 M321 | E192-R315 IonicContact OE1-NH2 3.29Å; E192-R315 IonicContact OE2-CZ 3.21Å; E192-R315 IonicContact OE2-NE 2.67Å; E192-R315 PolarHBondContact OE2-NE 2.92Å; E192-R315 VanDerWaalsContact OE2-NE 3.15Å; E192-R315 IonicContact OE2-NH2 3.31Å; E192-R315 PolarHBondContact OE2-NH2 2.87Å; P313-R315 PolarHBondContact O-N 3.28Å; R315-M321 VanDerWaalsContact CA-CE 3.46Å; R315-M321 HydrophobicContact CB-CE 3.93Å; R315-M321 HydrophobicContact CG-CE 3.23Å |
| 316 | N | 86.9 | Confident | 85.6 | Confident | 76 Ų | 76 | 66.3 Ų | 66.3 | 41% | 0.406 | 31% | 0.309 | S | S | . | . | G | 310 helix | trans | -73.7 | -26.6 | -173.3 | -73.2 | 9.7 | 0 | 0 | 0 | 113.8 | Y296 P313 Y314 | Y296-N316 HydrophobicContact CD1-CB 3.55Å; Y296-N316 WeakPolarHBondContact CD1-ND2 3.46Å; Y296-N316 HydrophobicContact CD2-CB 3.76Å; Y296-N316 WeakPolarHBondContact CD2-O 3.39Å; Y296-N316 HydrophobicContact CE1-CB 3.79Å; Y296-N316 WeakPolarHBondContact CE1-ND2 3.12Å; Y296-N316 HydrophobicContact CE2-CB 3.94Å; Y296-N316 WeakPolarHBondContact CE2-O 3.32Å; Y296-N316 HydrophobicContact CG-CB 3.52Å; P313-N316 PolarHBondContact O-N 2.87Å; Y314-N316 PolarHBondContact O-N 2.88Å |
| 317 | S | 88.8 | Confident | 85.8 | Confident | 5 Ų | 5 | 61.9 Ų | 61.9 | 4% | 0.035 | 29% | 0.289 | C | S | . | . | trans | -138.2 | 158.1 | 169.9 | 66.7 | 0 | 0 | 0 | 0 | 112.4 | E165 M319 T320 M321 | E165-S317 WeakPolarHBondContact OE1-CB 3.22Å; E165-S317 VanDerWaalsContact OE2-CA 3.22Å; E165-S317 WeakPolarHBondContact OE2-CA 3.42Å; E165-S317 WeakPolarHBondContact OE2-CB 3.36Å; S317-M319 VanDerWaalsContact C-N 3.25Å; S317-M319 PolarHBondContact O-N 3.25Å; S317-T320 PolarHBondContact N-OG1 3.37Å; S317-T320 PolarHBondContact O-N 2.83Å; S317-T320 PolarHBondContact O-OG1 2.83Å; S317-T320 VanDerWaalsContact O-OG1 3.1Å; S317-T320 WeakPolarHBondContact OG-CG2 3.43Å; S317-T320 PolarHBondContact OG-N 2.64Å; S317-T320 VanDerWaalsContact OG-N 3.09Å; S317-T320 PolarHBondContact OG-OG1 3.2Å; S317-M321 PolarHBondContact O-N 2.82Å | ||
| 318 | M | 88.6 | Confident | 86.5 | Confident | 23 Ų | 23 | 53.1 Ų | 53.1 | 11% | 0.113 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60.8 | -39.2 | 173 | -175.8 | 173.4 | 180 | 0 | 0 | 111.2 | M160 I162 E165 G167 V188 L190 L201 M321 M322 | M160-M318 HydrophobicContact CE-CE 4.07Å; M160-M318 HydrophobicContact SD-CE 3.65Å; I162-M318 HydrophobicContact CD1-CG 4.15Å; E165-M318 PolarHBondContact OE2-N 3.41Å; G167-M318 PolarHBondContact N-SD 3.13Å; G167-M318 VanDerWaalsContact N-SD 3.37Å; V188-M318 HydrophobicContact CB-CE 4.02Å; V188-M318 HydrophobicContact CG1-CE 3.8Å; L190-M318 HydrophobicContact CD1-CG 4.26Å; L201-M318 HydrophobicContact CD2-CE 4.25Å; M318-M321 PolarHBondContact O-N 3.11Å; M318-M322 HydrophobicContact CE-CE 3.6Å; M318-M322 HydrophobicContact CG-CE 4.06Å; M318-M322 WeakPolarHBondContact O-CG 3.33Å; M318-M322 PolarHBondContact O-N 3.03Å |
| 319 | M | 89.8 | Confident | 87.3 | Confident | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.005 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -63.7 | -48.8 | 179 | 179.7 | -171.5 | 59.6 | 0 | 0 | 112 | I162 H241 L268 S293 L294 L297 S317 M321 M322 L323 | I162-M319 HydrophobicContact CD1-CB 4.02Å; H241-M319 HydrophobicContact CB-SD 4.26Å; H241-M319 VanDerWaalsContact CE1-SD 3.56Å; H241-M319 VanDerWaalsContact CG-SD 3.54Å; H241-M319 PolarHBondContact ND1-SD 3.37Å; L268-M319 HydrophobicContact CD2-CG 4.44Å; L268-M319 HydrophobicContact CD2-SD 3.48Å; L268-M319 WeakPolarHBondContact CD2-SD 3.44Å; S293-M319 WeakPolarHBondContact O-CE 3.37Å; L294-M319 HydrophobicContact CD2-CE 4.29Å; L297-M319 HydrophobicContact CB-CE 3.81Å; L297-M319 HydrophobicContact CD2-CE 4.12Å; L297-M319 HydrophobicContact CG-CE 4.47Å; S317-M319 VanDerWaalsContact C-N 3.25Å; S317-M319 PolarHBondContact O-N 3.25Å; M319-M321 PolarHBondContact O-N 3.37Å; M319-M322 PolarHBondContact O-N 3.32Å; M319-L323 HydrophobicContact CG-CD1 4.12Å; M319-L323 WeakPolarHBondContact O-CG 3.23Å; M319-L323 PolarHBondContact O-N 3.19Å |
| 320 | T | 89.9 | Confident | 87.9 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -65 | -29.1 | 179.2 | 51.2 | 0 | 0 | 0 | 0 | 112.1 | L297 V300 Y314 S317 L323 R324 | L297-T320 HydrophobicContact CB-CG2 4.07Å; L297-T320 HydrophobicContact CD1-CG2 4.28Å; V300-T320 HydrophobicContact CG2-CG2 4.07Å; Y314-T320 WeakPolarHBondContact CD1-O 3.33Å; Y314-T320 PolarHBondContact O-OG1 3.32Å; S317-T320 PolarHBondContact N-OG1 3.37Å; S317-T320 PolarHBondContact O-N 2.83Å; S317-T320 PolarHBondContact O-OG1 2.83Å; S317-T320 VanDerWaalsContact O-OG1 3.1Å; S317-T320 WeakPolarHBondContact OG-CG2 3.43Å; S317-T320 PolarHBondContact OG-N 2.64Å; S317-T320 VanDerWaalsContact OG-N 3.09Å; S317-T320 PolarHBondContact OG-OG1 3.2Å; T320-L323 CarbonylContact O-C 3.59Å; T320-R324 PolarHBondContact O-N 2.6Å; T320-R324 VanDerWaalsContact O-N 3.14Å |
| 321 | M | 88.9 | Confident | 88.6 | Confident | 12 Ų | 12 | 34.3 Ų | 34.3 | 6% | 0.059 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -70 | -41.4 | 174.1 | -171.2 | 58.1 | 64.2 | 0 | 0 | 112.3 | L190 V199 Y314 R315 S317 M318 M319 L323 R324 | L190-M321 HydrophobicContact CD1-CB 3.57Å; L190-M321 HydrophobicContact CD1-CG 3.26Å; L190-M321 HydrophobicContact CD2-CG 3.49Å; L190-M321 VanDerWaalsContact CD2-CG 3.49Å; L190-M321 HydrophobicContact CD2-SD 4.49Å; L190-M321 HydrophobicContact CG-CG 4.02Å; V199-M321 HydrophobicContact CG1-CG 4.31Å; V199-M321 HydrophobicContact CG2-CG 3.91Å; V199-M321 HydrophobicContact CG2-SD 3.73Å; Y314-M321 PolarHBondContact O-N 2.93Å; R315-M321 VanDerWaalsContact CA-CE 3.46Å; R315-M321 HydrophobicContact CB-CE 3.93Å; R315-M321 HydrophobicContact CG-CE 3.23Å; S317-M321 PolarHBondContact O-N 2.82Å; M318-M321 PolarHBondContact O-N 3.11Å; M319-M321 PolarHBondContact O-N 3.37Å; M321-L323 VanDerWaalsContact C-N 3.31Å; M321-L323 PolarHBondContact O-N 2.58Å; M321-R324 VanDerWaalsContact O-CB 3.23Å; M321-R324 WeakPolarHBondContact O-CB 3.06Å; M321-R324 PolarHBondContact O-N 2.97Å |
| 322 | M | 88.7 | Confident | 89 | Confident | 28 Ų | 28 | 28.7 Ų | 28.7 | 14% | 0.138 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -61.2 | -41.7 | 173.3 | -68.4 | -50.7 | 160.5 | 0 | 0 | 112.4 | M160 L190 V199 L201 I243 M318 M319 R324 | M160-M322 HydrophobicContact CE-CE 4.13Å; M160-M322 HydrophobicContact CE-CG 4.23Å; L190-M322 HydrophobicContact CB-CE 4.47Å; L190-M322 HydrophobicContact CD1-CE 3.33Å; L190-M322 HydrophobicContact CD1-SD 4.21Å; L190-M322 HydrophobicContact CG-CE 4.03Å; V199-M322 HydrophobicContact CG1-SD 4.21Å; L201-M322 HydrophobicContact CD1-CE 3.76Å; L201-M322 HydrophobicContact CD1-SD 3.72Å; L201-M322 HydrophobicContact CD2-CE 3.07Å; L201-M322 HydrophobicContact CD2-SD 4.08Å; L201-M322 HydrophobicContact CG-CE 3.71Å; L201-M322 HydrophobicContact CG-SD 4.05Å; I243-M322 HydrophobicContact CD1-CB 4.08Å; I243-M322 HydrophobicContact CD1-CG 4.11Å; M318-M322 HydrophobicContact CE-CE 3.6Å; M318-M322 HydrophobicContact CG-CE 4.06Å; M318-M322 WeakPolarHBondContact O-CG 3.33Å; M318-M322 PolarHBondContact O-N 3.03Å; M319-M322 PolarHBondContact O-N 3.32Å; M322-R324 PolarHBondContact O-N 3.42Å |
| 323 | L | 89.8 | Confident | 89.4 | Confident | 4 Ų | 4 | 27.4 Ų | 27.4 | 2% | 0.021 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | 11.6 | -177.8 | -58.9 | 179.9 | 0 | 0 | 0 | 112.9 | T106 V266 M319 T320 M321 D325 S326 L327 | T106-L323 HydrophobicContact CG2-CD2 4.41Å; V266-L323 HydrophobicContact CG2-CD2 4.14Å; M319-L323 HydrophobicContact CG-CD1 4.12Å; M319-L323 WeakPolarHBondContact O-CG 3.23Å; M319-L323 PolarHBondContact O-N 3.19Å; T320-L323 CarbonylContact O-C 3.59Å; M321-L323 VanDerWaalsContact C-N 3.31Å; M321-L323 PolarHBondContact O-N 2.58Å; L323-D325 PolarHBondContact O-N 3.45Å; L323-S326 WeakPolarHBondContact O-CB 3.43Å; L323-S326 PolarHBondContact O-N 2.97Å; L323-L327 HydrophobicContact CB-CD1 4Å; L323-L327 HydrophobicContact CB-CG 4.2Å; L323-L327 WeakPolarHBondContact O-CB 3.21Å; L323-L327 WeakPolarHBondContact O-CG 3.38Å; L323-L327 PolarHBondContact O-N 2.81Å |
| 324 | R | 89.4 | Confident | 89.7 | Confident | 67 Ų | 67 | 26.8 Ų | 26.8 | 25% | 0.253 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -55 | -53.3 | 178.4 | 177.1 | -173.9 | 175.6 | 172.7 | 1.5 | 111.1 | E192 G197 Y314 T320 M321 M322 S326 L327 G328 | E192-R324 IonicContact OE1-CZ 3.43Å; E192-R324 IonicContact OE1-NH1 2.63Å; E192-R324 PolarHBondContact OE1-NH1 3.24Å; E192-R324 IonicContact OE1-NH2 3.63Å; G197-R324 PolarHBondContact O-NH1 2.88Å; G197-R324 VanDerWaalsContact O-NH1 3.17Å; Y314-R324 HydrophobicContact CD1-CB 3.93Å; Y314-R324 HydrophobicContact CD1-CG 4.03Å; Y314-R324 HydrophobicContact CD2-CG 4.04Å; Y314-R324 HydrophobicContact CE1-CB 4.19Å; Y314-R324 HydrophobicContact CE1-CG 4.1Å; Y314-R324 HydrophobicContact CE2-CG 4.1Å; Y314-R324 HydrophobicContact CG-CB 4.23Å; Y314-R324 HydrophobicContact CG-CG 3.98Å; T320-R324 PolarHBondContact O-N 2.6Å; T320-R324 VanDerWaalsContact O-N 3.14Å; M321-R324 VanDerWaalsContact O-CB 3.23Å; M321-R324 WeakPolarHBondContact O-CB 3.06Å; M321-R324 PolarHBondContact O-N 2.97Å; M322-R324 PolarHBondContact O-N 3.42Å; R324-S326 VanDerWaalsContact C-N 3.29Å; R324-S326 PolarHBondContact O-N 2.81Å; R324-L327 PolarHBondContact O-N 3.36Å; R324-G328 PolarHBondContact O-N 3.49Å |
| 325 | D | 87.8 | Confident | 90.1 | Very high | 55 Ų | 55 | 25.4 Ų | 25.4 | 29% | 0.294 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -67.2 | -34 | 179.5 | -69.9 | -10.9 | 0 | 0 | 0 | 111.1 | L323 G329 C331 | L323-D325 PolarHBondContact O-N 3.45Å; D325-G329 CarbonylContact O-C 3.56Å; D325-G329 VanDerWaalsContact O-C 3.28Å; D325-G329 WeakPolarHBondContact O-CA 3.02Å; D325-G329 PolarHBondContact O-N 3.22Å; D325-C331 WeakPolarHBondContact O-CB 3.44Å |
| 326 | S | 89 | Confident | 90.5 | Very high | 1 Ų | 1 | 17.1 Ų | 17.1 | 1% | 0.007 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -67 | -33.1 | 178.6 | -50.3 | 0 | 0 | 0 | 0 | 114.2 | T106 L323 R324 T333 N364 | T106-S326 WeakPolarHBondContact OG1-CB 3.39Å; T106-S326 PolarHBondContact OG1-OG 2.9Å; L323-S326 WeakPolarHBondContact O-CB 3.43Å; L323-S326 PolarHBondContact O-N 2.97Å; R324-S326 VanDerWaalsContact C-N 3.29Å; R324-S326 PolarHBondContact O-N 2.81Å; S326-T333 VanDerWaalsContact O-CB 3.3Å; S326-T333 WeakPolarHBondContact O-CB 3.14Å; S326-T333 PolarHBondContact O-OG1 3.35Å; S326-N364 PolarHBondContact O-ND2 2.75Å |
| 327 | L | 87.9 | Confident | 91 | Very high | 1 Ų | 1 | 13.5 Ų | 13.5 | 1% | 0.005 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -103.8 | -12.2 | -171.5 | -63 | 173 | 0 | 0 | 0 | 113.6 | I6 F108 L297 V300 I301 L304 L323 R324 I362 N364 | I6-L327 HydrophobicContact CD1-CD2 4.25Å; F108-L327 HydrophobicContact CE1-CD2 4.25Å; F108-L327 HydrophobicContact CZ-CD2 4.34Å; L297-L327 HydrophobicContact CD1-CD1 3.39Å; V300-L327 HydrophobicContact CG1-CD1 4.26Å; I301-L327 HydrophobicContact CD1-CD1 4.02Å; I301-L327 HydrophobicContact CD1-CD2 3.76Å; I301-L327 HydrophobicContact CD1-CG 4.32Å; L304-L327 HydrophobicContact CD1-CB 4.09Å; L304-L327 WeakPolarHBondContact CD1-O 3.41Å; L323-L327 HydrophobicContact CB-CD1 4Å; L323-L327 HydrophobicContact CB-CG 4.2Å; L323-L327 WeakPolarHBondContact O-CB 3.21Å; L323-L327 WeakPolarHBondContact O-CG 3.38Å; L323-L327 PolarHBondContact O-N 2.81Å; R324-L327 PolarHBondContact O-N 3.36Å; L327-I362 WeakPolarHBondContact O-CG2 3.32Å; L327-N364 VanDerWaalsContact C-OD1 3.24Å; L327-N364 PolarHBondContact O-OD1 2.68Å |
| 328 | G | 84.3 | Confident | 91.3 | Very high | 30 Ų | 30 | 13.3 Ų | 13.3 | 31% | 0.309 | 8% | 0.076 | S | C | . | . | H | α-helix | trans | -163.8 | 8.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | R324 N364 | R324-G328 PolarHBondContact O-N 3.49Å; G328-N364 WeakPolarHBondContact CA-OD1 3.31Å; G328-N364 PolarHBondContact N-OD1 2.99Å |
| 329 | G | 88.2 | Confident | 91.6 | Very high | 19 Ų | 19 | 12.2 Ų | 12.2 | 20% | 0.196 | 7% | 0.071 | C | C | . | . | S | Bend | trans | -113.7 | -147.7 | -178 | 0 | 0 | 0 | 0 | 0 | 112.4 | D325 C331 E365 | D325-G329 CarbonylContact O-C 3.56Å; D325-G329 VanDerWaalsContact O-C 3.28Å; D325-G329 WeakPolarHBondContact O-CA 3.02Å; D325-G329 PolarHBondContact O-N 3.22Å; G329-C331 PolarHBondContact O-N 3.38Å; G329-C331 VanDerWaalsContact O-N 3.09Å; G329-E365 PolarHBondContact O-N 3.2Å |
| 330 | N | 90.7 | Very high | 91.7 | Very high | 28 Ų | 28 | 12.2 Ų | 12.2 | 15% | 0.15 | 7% | 0.072 | C | C | . | . | S | Bend | trans | -83.1 | 78.3 | 179.9 | 176.4 | 24.6 | 0 | 0 | 0 | 111.2 | N104 E365 T367 N369 | N104-N330 WeakPolarHBondContact CB-O 3.42Å; N104-N330 PolarHBondContact ND2-O 2.97Å; N330-E365 WeakPolarHBondContact CA-O 3.31Å; N330-T367 PolarHBondContact ND2-O 3.26Å; N330-T367 PolarHBondContact ND2-OG1 3.05Å; N330-T367 PolarHBondContact OD1-N 3.03Å; N330-T367 PolarHBondContact OD1-O 2.92Å; N330-T367 VanDerWaalsContact OD1-O 3.06Å; N330-T367 PolarHBondContact OD1-OG1 2.87Å; N330-N369 PolarHBondContact ND2-OD1 3.14Å |
| 331 | C | 92.3 | Very high | 91.6 | Very high | 1 Ų | 1 | 12.5 Ų | 12.5 | 1% | 0.007 | 7% | 0.073 | C | C | . | . | trans | -157.6 | 137.6 | 174.8 | -165 | 0 | 0 | 0 | 0 | 112.5 | N104 T106 D325 G329 N364 I366 | N104-C331 HydrophobicContact CB-CB 4.23Å; T106-C331 PolarHBondContact N-SG 3.32Å; T106-C331 PolarHBondContact OG1-SG 3.5Å; D325-C331 WeakPolarHBondContact O-CB 3.44Å; G329-C331 PolarHBondContact O-N 3.38Å; G329-C331 VanDerWaalsContact O-N 3.09Å; C331-N364 VanDerWaalsContact O-CB 3.28Å; C331-N364 WeakPolarHBondContact O-CB 3.48Å; C331-N364 PolarHBondContact O-ND2 2.88Å; C331-I366 WeakPolarHBondContact O-CG2 3.46Å | ||
| 332 | M | 93.9 | Very high | 91.6 | Very high | 5 Ų | 5 | 12.5 Ų | 12.5 | 3% | 0.025 | 7% | 0.073 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 114.3 | 167.5 | 178.6 | 171.7 | 171.4 | 0 | 0 | 109 | V95 K98 N104 G105 T106 I366 | V95-M332 HydrophobicContact CG2-CE 3.95Å; V95-M332 HydrophobicContact CG2-CG 4.41Å; K98-M332 HydrophobicContact CB-SD 3.89Å; K98-M332 HydrophobicContact CG-SD 3.56Å; K98-M332 VanDerWaalsContact CG-SD 3.56Å; N104-M332 PolarHBondContact O-N 2.96Å; G105-M332 CarbonylContact C-O 3.56Å; G105-M332 VanDerWaalsContact CA-O 3.3Å; G105-M332 WeakPolarHBondContact CA-O 3.42Å; T106-M332 PolarHBondContact N-O 2.9Å; M332-I366 HydrophobicContact CB-CG2 4.36Å |
| 333 | T | 95.5 | Very high | 91.5 | Very high | 4 Ų | 4 | 13.7 Ų | 13.7 | 3% | 0.025 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 134.3 | -171 | -58 | 0 | 0 | 0 | 0 | 111.9 | I6 Q7 T106 F108 S326 N364 | I6-T333 HydrophobicContact CD1-CG2 4.28Å; I6-T333 HydrophobicContact CG1-CG2 4.48Å; I6-T333 HydrophobicContact CG2-CG2 4.05Å; I6-T333 WeakPolarHBondContact CG2-O 3.39Å; Q7-T333 PolarHBondContact N-O 2.87Å; T106-T333 HydrophobicContact CG2-CG2 4.31Å; T106-T333 CarbonylContact O-C 3.57Å; T106-T333 VanDerWaalsContact O-CA 3.32Å; T106-T333 WeakPolarHBondContact O-CA 3.41Å; F108-T333 HydrophobicContact CD1-CG2 3.9Å; F108-T333 HydrophobicContact CE1-CG2 3.51Å; S326-T333 VanDerWaalsContact O-CB 3.3Å; S326-T333 WeakPolarHBondContact O-CB 3.14Å; S326-T333 PolarHBondContact O-OG1 3.35Å; T333-N364 PolarHBondContact OG1-ND2 2.94Å |
| 334 | S | 96 | Very high | 91.2 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 132.9 | 173 | -65 | 0 | 0 | 0 | 0 | 109.9 | Q7 V95 T106 I107 F108 | Q7-S334 CarbonylContact O-C 3.55Å; Q7-S334 WeakPolarHBondContact O-CA 3.36Å; V95-S334 VanDerWaalsContact CG2-OG 3.29Å; V95-S334 WeakPolarHBondContact CG2-OG 3.39Å; T106-S334 PolarHBondContact O-N 3.21Å; I107-S334 WeakPolarHBondContact CA-O 3.48Å; F108-S334 PolarHBondContact N-O 3.34Å; F108-S334 VanDerWaalsContact N-O 3.1Å |
| 335 | M | 96.3 | Very high | 91.2 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 132.9 | 178.1 | 175.3 | -172.9 | 172.9 | 0 | 0 | 109.8 | I6 Q7 I8 Y9 F108 Y110 A337 F355 A356 V359 | I6-M335 HydrophobicContact CG2-CB 4.44Å; Q7-M335 PolarHBondContact O-N 2.78Å; I8-M335 HydrophobicContact CG2-CB 4.23Å; I8-M335 HydrophobicContact CG2-SD 4.3Å; Y9-M335 PolarHBondContact N-O 3.5Å; F108-M335 HydrophobicContact CD2-CB 4.5Å; F108-M335 HydrophobicContact CD2-CG 4.12Å; F108-M335 HydrophobicContact CE1-CB 3.93Å; F108-M335 HydrophobicContact CE1-CG 4.43Å; F108-M335 HydrophobicContact CE2-CB 3.91Å; F108-M335 HydrophobicContact CE2-CE 4.49Å; F108-M335 HydrophobicContact CE2-CG 3.48Å; F108-M335 VanDerWaalsContact CE2-CG 3.48Å; F108-M335 HydrophobicContact CE2-SD 3.93Å; F108-M335 HydrophobicContact CZ-CB 3.59Å; F108-M335 HydrophobicContact CZ-CG 3.67Å; F108-M335 HydrophobicContact CZ-SD 4.03Å; F108-M335 WeakPolarHBondContact O-CA 3.42Å; Y110-M335 HydrophobicContact CD1-CE 3.81Å; Y110-M335 HydrophobicContact CG-CE 4.01Å; M335-A337 HydrophobicContact CE-CB 4.25Å; M335-F355 HydrophobicContact CE-CD1 3.52Å; M335-F355 HydrophobicContact CE-CE1 3.71Å; M335-F355 HydrophobicContact SD-CD1 4.41Å; M335-F355 HydrophobicContact SD-CE1 4.25Å; M335-A356 HydrophobicContact CE-CB 3.77Å; M335-A356 HydrophobicContact SD-CB 4.07Å; M335-V359 HydrophobicContact SD-CB 3.88Å; M335-V359 HydrophobicContact SD-CG1 3.9Å; M335-V359 HydrophobicContact SD-CG2 3.81Å |
| 336 | I | 97.4 | Very high | 91.2 | Very high | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 107.4 | 169.7 | -51.8 | 173.7 | 0 | 0 | 0 | 108.4 | R11 V87 V91 I107 F108 A109 Y110 T120 I133 T338 | R11-I336 HydrophobicContact CB-CG2 4.12Å; V87-I336 HydrophobicContact CG1-CD1 4.42Å; V91-I336 HydrophobicContact CB-CD1 4.32Å; V91-I336 HydrophobicContact CG1-CD1 3.83Å; V91-I336 HydrophobicContact CG1-CG1 3.78Å; V91-I336 HydrophobicContact CG2-CD1 4.29Å; V91-I336 HydrophobicContact CG2-CG1 4.34Å; I107-I336 HydrophobicContact CG2-CD1 4.19Å; F108-I336 PolarHBondContact O-N 3.38Å; A109-I336 WeakPolarHBondContact CA-O 3.46Å; Y110-I336 PolarHBondContact N-O 3.49Å; T120-I336 HydrophobicContact CG2-CD1 3.72Å; T120-I336 HydrophobicContact CG2-CG2 4.29Å; I133-I336 HydrophobicContact CD1-CD1 3.3Å; I336-T338 HydrophobicContact CG2-CG2 4.14Å; I336-T338 PolarHBondContact O-N 2.95Å |
| 337 | A | 97.2 | Very high | 91.2 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 112.3 | 168.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | Y9 L10 R11 F74 Y110 M335 T352 A356 | Y9-A337 PolarHBondContact O-N 3.03Å; L10-A337 CarbonylContact C-O 3.59Å; L10-A337 WeakPolarHBondContact CA-O 3.44Å; L10-A337 HydrophobicContact CD1-CB 4.08Å; R11-A337 PolarHBondContact N-O 3.03Å; F74-A337 HydrophobicContact CE1-CB 4.18Å; Y110-A337 CarbonylContact O-C 3.58Å; Y110-A337 WeakPolarHBondContact O-CA 3.24Å; M335-A337 HydrophobicContact CE-CB 4.25Å; A337-T352 HydrophobicContact CB-CG2 4.12Å; A337-A356 HydrophobicContact CB-CB 4.15Å |
| 338 | T | 95.7 | Very high | 91.3 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 126.9 | 175.2 | 57.1 | 0 | 0 | 0 | 0 | 109.3 | R11 Y110 G111 S115 K117 I336 | R11-T338 WeakPolarHBondContact O-CA 3.38Å; Y110-T338 PolarHBondContact O-N 3.09Å; Y110-T338 PolarHBondContact O-OG1 3.47Å; G111-T338 WeakPolarHBondContact CA-O 3.45Å; S115-T338 VanDerWaalsContact CB-O 3.25Å; S115-T338 WeakPolarHBondContact CB-O 3.44Å; S115-T338 PolarHBondContact OG-O 3.48Å; S115-T338 PolarHBondContact OG-OG1 3.47Å; K117-T338 HydrophobicContact CG-CG2 4.46Å; K117-T338 WeakPolarHBondContact CG-OG1 3.41Å; I336-T338 HydrophobicContact CG2-CG2 4.14Å; I336-T338 PolarHBondContact O-N 2.95Å |
| 339 | C | 95 | Very high | 91.6 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 147 | -174.6 | -70.8 | 0 | 0 | 0 | 0 | 111.2 | L10 R11 L12 R13 T349 | L10-C339 HydrophobicContact CD1-CB 4.07Å; L10-C339 VanDerWaalsContact CD1-SG 3.59Å; R11-C339 PolarHBondContact O-N 3.07Å; L12-C339 HydrophobicContact CD2-CB 4.07Å; R13-C339 PolarHBondContact N-O 3.02Å; C339-T349 HydrophobicContact CB-CG2 3.72Å |
| 340 | S | 91 | Very high | 91.8 | Very high | 2 Ų | 2 | 20.3 Ų | 20.3 | 1% | 0.014 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 141.5 | 171.6 | -176.5 | 0 | 0 | 0 | 0 | 110.2 | E342 N345 T349 | S340-E342 VanDerWaalsContact C-N 3.34Å; S340-N345 PolarHBondContact OG-ND2 3.19Å; S340-T349 PolarHBondContact N-OG1 2.9Å; S340-T349 PolarHBondContact O-OG1 2.93Å |
| 341 | I | 88.3 | Confident | 91.9 | Very high | 5 Ų | 5 | 21.9 Ų | 21.9 | 3% | 0.026 | 11% | 0.111 | C | C | . | . | trans | -87.1 | -13.2 | -177.5 | -49.3 | 169.7 | 0 | 0 | 0 | 111.1 | L12 R13 L21 S22 Y24 T80 | L12-I341 HydrophobicContact CB-CD1 3.93Å; L12-I341 HydrophobicContact CB-CG1 4.02Å; L12-I341 HydrophobicContact CD2-CG1 4.45Å; R13-I341 WeakPolarHBondContact O-CD1 3.49Å; R13-I341 WeakPolarHBondContact O-CG1 3.44Å; L21-I341 HydrophobicContact CD2-CB 4.24Å; L21-I341 HydrophobicContact CD2-CG2 3.98Å; S22-I341 VanDerWaalsContact CB-O 3.24Å; S22-I341 WeakPolarHBondContact CB-O 3.25Å; S22-I341 PolarHBondContact N-O 3.3Å; S22-I341 PolarHBondContact OG-O 3.23Å; Y24-I341 HydrophobicContact CD1-CG2 3.61Å; Y24-I341 HydrophobicContact CE1-CD1 4.24Å; Y24-I341 HydrophobicContact CE1-CG1 4.48Å; Y24-I341 HydrophobicContact CE1-CG2 3.31Å; T80-I341 HydrophobicContact CG2-CD1 3.13Å | ||
| 342 | E | 88.8 | Confident | 92 | Very high | 13 Ų | 13 | 21.9 Ų | 21.9 | 6% | 0.061 | 11% | 0.111 | C | C | . | . | B | Isolated β-bridge | trans | -61.6 | 138.6 | -177.9 | -61.9 | 169.6 | -176.3 | 0 | 0 | 111.5 | K19 S22 S340 E344 N345 L346 | K19-E342 HydrophobicContact CB-CG 4.2Å; K19-E342 HydrophobicContact CD-CB 4.49Å; K19-E342 HydrophobicContact CD-CG 3.85Å; K19-E342 WeakPolarHBondContact CD-OE1 3.34Å; K19-E342 WeakPolarHBondContact CD-OE2 3.44Å; K19-E342 IonicContact NZ-OE2 3.93Å; K19-E342 PolarHBondContact NZ-OE2 3.42Å; S22-E342 PolarHBondContact OG-O 2.81Å; S340-E342 VanDerWaalsContact C-N 3.34Å; E342-E344 PolarHBondContact O-N 3.45Å; E342-N345 HydrophobicContact CB-CB 4.43Å; E342-N345 WeakPolarHBondContact O-CB 3.4Å; E342-N345 PolarHBondContact O-N 3.07Å; E342-N345 PolarHBondContact OE2-ND2 3.31Å; E342-L346 PolarHBondContact O-N 2.73Å |
| 343 | Q | 85.9 | Confident | 92.1 | Very high | 52 Ų | 52 | 21.6 Ų | 21.6 | 24% | 0.243 | 11% | 0.11 | C | C | . | . | G | 310 helix | trans | -59.2 | -34.6 | -176 | -175.7 | 61.1 | 45 | 0 | 0 | 113.1 | Q20 S22 N345 L346 | Q20-Q343 HydrophobicContact CB-CB 4.3Å; Q20-Q343 HydrophobicContact CG-CB 4.25Å; Q20-Q343 WeakPolarHBondContact O-CB 3.45Å; Q20-Q343 PolarHBondContact O-N 3.22Å; S22-Q343 VanDerWaalsContact OG-CA 3.3Å; S22-Q343 WeakPolarHBondContact OG-CA 3.32Å; S22-Q343 PolarHBondContact OG-N 3.22Å; S22-Q343 PolarHBondContact OG-OE1 2.98Å; Q343-N345 PolarHBondContact O-N 3.29Å; Q343-L346 WeakPolarHBondContact O-CB 3.48Å; Q343-L346 PolarHBondContact O-N 2.94Å |
| 344 | E | 85.3 | Confident | 92 | Very high | 142 Ų | 142 | 27 Ų | 27 | 66% | 0.664 | 13% | 0.13 | S | C | * | . | G | 310 helix | trans | -59.2 | -33.6 | 175.6 | -62.8 | 168.8 | 174.9 | 0 | 0 | 112 | K19 E342 | K19-E344 IonicContact NZ-OE2 2.83Å; K19-E344 PolarHBondContact NZ-OE2 2.9Å; E342-E344 PolarHBondContact O-N 3.45Å |
| 345 | N | 88 | Confident | 91.9 | Very high | 34 Ų | 34 | 27.1 Ų | 27.1 | 18% | 0.182 | 13% | 0.13 | C | C | . | . | G | 310 helix | trans | -96.4 | -3.7 | -172.2 | -70.7 | -38.7 | 0 | 0 | 0 | 113 | Q112 S340 E342 Q343 Q347 E348 T349 | Q112-N345 PolarHBondContact NE2-OD1 3.5Å; Q112-N345 PolarHBondContact OE1-O 3Å; S340-N345 PolarHBondContact OG-ND2 3.19Å; E342-N345 HydrophobicContact CB-CB 4.43Å; E342-N345 WeakPolarHBondContact O-CB 3.4Å; E342-N345 PolarHBondContact O-N 3.07Å; E342-N345 PolarHBondContact OE2-ND2 3.31Å; Q343-N345 PolarHBondContact O-N 3.29Å; N345-Q347 VanDerWaalsContact C-N 3.27Å; N345-Q347 PolarHBondContact O-N 3.1Å; N345-Q347 VanDerWaalsContact O-N 3.16Å; N345-E348 PolarHBondContact O-N 3.27Å; N345-T349 PolarHBondContact O-N 3.17Å |
| 346 | L | 88.3 | Confident | 91.8 | Very high | 2 Ų | 2 | 27.1 Ų | 27.1 | 1% | 0.01 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -56.3 | -38 | -172.1 | -177.3 | 57.4 | 0 | 0 | 0 | 113.3 | F51 C53 E342 Q343 T349 I350 | F51-L346 HydrophobicContact CB-CD1 4.11Å; F51-L346 HydrophobicContact CD1-CD1 3.97Å; F51-L346 HydrophobicContact CG-CD1 4.25Å; C53-L346 VanDerWaalsContact SG-CD2 3.58Å; E342-L346 PolarHBondContact O-N 2.73Å; Q343-L346 WeakPolarHBondContact O-CB 3.48Å; Q343-L346 PolarHBondContact O-N 2.94Å; L346-T349 PolarHBondContact O-N 3.47Å; L346-I350 HydrophobicContact CD1-CD1 4.15Å; L346-I350 HydrophobicContact CD1-CG1 4.3Å; L346-I350 HydrophobicContact CG-CD1 3.96Å; L346-I350 WeakPolarHBondContact O-CB 3.28Å; L346-I350 WeakPolarHBondContact O-CD1 3.28Å; L346-I350 VanDerWaalsContact O-CG1 3.24Å; L346-I350 WeakPolarHBondContact O-CG1 3.44Å; L346-I350 PolarHBondContact O-N 3.36Å |
| 347 | Q | 88.4 | Confident | 91.6 | Very high | 111 Ų | 111 | 29.8 Ų | 29.8 | 52% | 0.519 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -66.3 | -39.1 | 178.7 | -65.9 | -57.4 | -38.5 | 0 | 0 | 112.5 | N345 S351 | N345-Q347 VanDerWaalsContact C-N 3.27Å; N345-Q347 PolarHBondContact O-N 3.1Å; N345-Q347 VanDerWaalsContact O-N 3.16Å; Q347-S351 WeakPolarHBondContact O-CB 3.25Å; Q347-S351 PolarHBondContact O-N 3.32Å; Q347-S351 PolarHBondContact O-OG 2.93Å |
| 348 | E | 90.2 | Very high | 91.4 | Very high | 25 Ų | 25 | 33.7 Ų | 33.7 | 12% | 0.117 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -71.8 | -39 | 176.5 | -64.3 | -55.1 | 147 | 0 | 0 | 111 | Q112 E272 N345 S351 T352 | Q112-E348 HydrophobicContact CB-CB 4.16Å; Q112-E348 HydrophobicContact CG-CB 4.46Å; E272-E348 WeakPolarHBondContact CA-OE2 3.31Å; E272-E348 HydrophobicContact CB-CG 4.25Å; N345-E348 PolarHBondContact O-N 3.27Å; E348-S351 PolarHBondContact O-N 3.02Å; E348-T352 WeakPolarHBondContact O-CB 3.3Å; E348-T352 PolarHBondContact O-N 3.34Å; E348-T352 PolarHBondContact O-OG1 3.42Å |
| 349 | T | 91.9 | Very high | 91.3 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -58.7 | -48.4 | 171.2 | -73.8 | 0 | 0 | 0 | 0 | 111.8 | F51 C339 S340 N345 L346 S351 T352 C353 | F51-T349 HydrophobicContact CD1-CG2 4.35Å; F51-T349 HydrophobicContact CE1-CG2 3.67Å; F51-T349 HydrophobicContact CE2-CG2 4.03Å; F51-T349 HydrophobicContact CZ-CG2 3.47Å; F51-T349 VanDerWaalsContact CZ-CG2 3.47Å; C339-T349 HydrophobicContact CB-CG2 3.72Å; S340-T349 PolarHBondContact N-OG1 2.9Å; S340-T349 PolarHBondContact O-OG1 2.93Å; N345-T349 PolarHBondContact O-N 3.17Å; L346-T349 PolarHBondContact O-N 3.47Å; T349-S351 VanDerWaalsContact C-N 3.29Å; T349-S351 PolarHBondContact O-N 3.24Å; T349-T352 WeakPolarHBondContact O-CB 3.49Å; T349-T352 PolarHBondContact O-N 3.29Å; T349-C353 PolarHBondContact O-N 3.5Å; T349-C353 PolarHBondContact O-SG 3.47Å |
| 350 | I | 92.6 | Very high | 91.1 | Very high | 3 Ų | 3 | 34.6 Ų | 34.6 | 2% | 0.015 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -59.9 | -41.9 | 176.5 | -71.4 | 164.5 | 0 | 0 | 0 | 110.9 | Y70 F72 L346 C353 R354 | Y70-I350 HydrophobicContact CD1-CG2 4.13Å; Y70-I350 HydrophobicContact CD2-CD1 3.57Å; Y70-I350 HydrophobicContact CD2-CG1 4.23Å; Y70-I350 HydrophobicContact CE1-CG2 4.41Å; Y70-I350 HydrophobicContact CE2-CD1 3.8Å; Y70-I350 HydrophobicContact CG-CD1 4.11Å; Y70-I350 HydrophobicContact CG-CG1 4.3Å; Y70-I350 HydrophobicContact CG-CG2 4.27Å; F72-I350 HydrophobicContact CZ-CG2 4.14Å; L346-I350 HydrophobicContact CD1-CD1 4.15Å; L346-I350 HydrophobicContact CD1-CG1 4.3Å; L346-I350 HydrophobicContact CG-CD1 3.96Å; L346-I350 WeakPolarHBondContact O-CB 3.28Å; L346-I350 WeakPolarHBondContact O-CD1 3.28Å; L346-I350 VanDerWaalsContact O-CG1 3.24Å; L346-I350 WeakPolarHBondContact O-CG1 3.44Å; L346-I350 PolarHBondContact O-N 3.36Å; I350-C353 PolarHBondContact O-N 3.19Å; I350-R354 WeakPolarHBondContact O-CG 3.12Å; I350-R354 PolarHBondContact O-N 2.97Å |
| 351 | S | 91.8 | Very high | 91.1 | Very high | 60 Ų | 60 | 40.2 Ų | 40.2 | 42% | 0.42 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -65 | -43.9 | 178.6 | -61.2 | 0 | 0 | 0 | 0 | 111.6 | Q347 E348 T349 C353 R354 F355 | Q347-S351 WeakPolarHBondContact O-CB 3.25Å; Q347-S351 PolarHBondContact O-N 3.32Å; Q347-S351 PolarHBondContact O-OG 2.93Å; E348-S351 PolarHBondContact O-N 3.02Å; T349-S351 VanDerWaalsContact C-N 3.29Å; T349-S351 PolarHBondContact O-N 3.24Å; S351-C353 PolarHBondContact O-N 2.95Å; S351-R354 PolarHBondContact O-N 3.03Å; S351-F355 PolarHBondContact O-N 3.18Å |
| 352 | T | 94.6 | Very high | 91.2 | Very high | 1 Ų | 1 | 40.1 Ų | 40.1 | 1% | 0.006 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -58.8 | -46.4 | 174.6 | -58.5 | 0 | 0 | 0 | 0 | 111.1 | Y110 A337 E348 T349 F355 A356 | Y110-T352 HydrophobicContact CD1-CG2 3.91Å; Y110-T352 HydrophobicContact CE1-CG2 4.17Å; A337-T352 HydrophobicContact CB-CG2 4.12Å; E348-T352 WeakPolarHBondContact O-CB 3.3Å; E348-T352 PolarHBondContact O-N 3.34Å; E348-T352 PolarHBondContact O-OG1 3.42Å; T349-T352 WeakPolarHBondContact O-CB 3.49Å; T349-T352 PolarHBondContact O-N 3.29Å; T352-F355 WeakPolarHBondContact O-CB 3.46Å; T352-F355 PolarHBondContact O-N 3.3Å; T352-A356 PolarHBondContact O-N 2.9Å |
| 353 | C | 95.2 | Very high | 91.3 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63.7 | -43.4 | 176.9 | -65.1 | 0 | 0 | 0 | 0 | 112.1 | F72 F74 T349 I350 S351 F355 A356 Q357 | F72-C353 HydrophobicContact CB-CB 4.34Å; F72-C353 HydrophobicContact CD1-CB 3.76Å; F72-C353 HydrophobicContact CD2-CB 3.53Å; F72-C353 HydrophobicContact CE1-CB 3.82Å; F72-C353 HydrophobicContact CE2-CB 3.57Å; F72-C353 HydrophobicContact CG-CB 3.6Å; F72-C353 HydrophobicContact CZ-CB 3.71Å; F74-C353 HydrophobicContact CZ-CB 4.14Å; T349-C353 PolarHBondContact O-N 3.5Å; T349-C353 PolarHBondContact O-SG 3.47Å; I350-C353 PolarHBondContact O-N 3.19Å; S351-C353 PolarHBondContact O-N 2.95Å; C353-F355 VanDerWaalsContact C-N 3.3Å; C353-F355 PolarHBondContact O-N 2.73Å; C353-A356 PolarHBondContact O-N 2.73Å; C353-Q357 WeakPolarHBondContact O-CG 3.42Å; C353-Q357 PolarHBondContact O-N 3.17Å |
| 354 | R | 93.8 | Very high | 91.5 | Very high | 118 Ų | 118 | 43.6 Ų | 43.6 | 45% | 0.445 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -60.4 | -40.1 | 175.3 | -75.2 | -177.2 | -172.1 | 179.9 | 8 | 112.1 | F72 I350 S351 Q357 R358 | F72-R354 HydrophobicContact CE1-CG 3.68Å; F72-R354 HydrophobicContact CZ-CG 3.96Å; I350-R354 WeakPolarHBondContact O-CG 3.12Å; I350-R354 PolarHBondContact O-N 2.97Å; S351-R354 PolarHBondContact O-N 3.03Å; R354-Q357 PolarHBondContact O-N 3.37Å; R354-R358 PolarHBondContact O-N 2.56Å |
| 355 | F | 94.2 | Very high | 91.7 | Very high | 1 Ų | 1 | 40.8 Ų | 40.8 | 0% | 0.004 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -61.1 | -49.3 | 174.9 | 176.6 | -100.9 | 0 | 0 | 0 | 110.8 | Y110 L297 E298 I301 M335 S351 T352 C353 Q357 R358 V359 | Y110-F355 AromaticContact CD1-CD1 3.47Å; Y110-F355 HydrophobicContact CD1-CD1 3.47Å; Y110-F355 VanDerWaalsContact CD1-CD1 3.47Å; Y110-F355 AromaticContact CD1-CE1 3.87Å; Y110-F355 HydrophobicContact CD1-CE1 3.87Å; Y110-F355 HydrophobicContact CD1-CG 4.37Å; Y110-F355 HydrophobicContact CD2-CD1 4.3Å; Y110-F355 AromaticContact CD2-CE1 3.91Å; Y110-F355 HydrophobicContact CD2-CE1 3.91Å; Y110-F355 HydrophobicContact CE1-CB 4.05Å; Y110-F355 AromaticContact CE1-CD1 3.32Å; Y110-F355 HydrophobicContact CE1-CD1 3.32Å; Y110-F355 AromaticContact CE1-CE1 3.92Å; Y110-F355 HydrophobicContact CE1-CE1 3.92Å; Y110-F355 AromaticContact CE1-CG 3.79Å; Y110-F355 HydrophobicContact CE1-CG 3.79Å; Y110-F355 HydrophobicContact CE2-CD1 4.14Å; Y110-F355 AromaticContact CE2-CE1 3.93Å; Y110-F355 HydrophobicContact CE2-CE1 3.93Å; Y110-F355 HydrophobicContact CE2-CZ 4.31Å; Y110-F355 AromaticContact CG-CD1 3.98Å; Y110-F355 HydrophobicContact CG-CD1 3.98Å; Y110-F355 AromaticContact CG-CE1 3.87Å; Y110-F355 HydrophobicContact CG-CE1 3.87Å; Y110-F355 AromaticContact CZ-CD1 3.67Å; Y110-F355 AromaticContact CZ-CE1 3.93Å; Y110-F355 AromaticContact CZ-CG 3.96Å; L297-F355 HydrophobicContact CD2-CZ 4.33Å; L297-F355 HydrophobicContact CG-CZ 4.32Å; E298-F355 HydrophobicContact CB-CE2 4.41Å; E298-F355 HydrophobicContact CG-CD2 3.79Å; E298-F355 HydrophobicContact CG-CE2 3.7Å; I301-F355 HydrophobicContact CB-CE2 4.34Å; I301-F355 HydrophobicContact CG1-CE2 3.93Å; I301-F355 HydrophobicContact CG1-CZ 3.95Å; I301-F355 HydrophobicContact CG2-CE2 4.47Å; M335-F355 HydrophobicContact CE-CD1 3.52Å; M335-F355 HydrophobicContact CE-CE1 3.71Å; M335-F355 HydrophobicContact SD-CD1 4.41Å; M335-F355 HydrophobicContact SD-CE1 4.25Å; S351-F355 PolarHBondContact O-N 3.18Å; T352-F355 WeakPolarHBondContact O-CB 3.46Å; T352-F355 PolarHBondContact O-N 3.3Å; C353-F355 VanDerWaalsContact C-N 3.3Å; C353-F355 PolarHBondContact O-N 2.73Å; F355-Q357 VanDerWaalsContact C-N 3.31Å; F355-Q357 PolarHBondContact O-N 3.1Å; F355-R358 WeakPolarHBondContact O-CB 3.32Å; F355-R358 PolarHBondContact O-N 3.07Å; F355-V359 HydrophobicContact CD1-CG2 4.13Å; F355-V359 HydrophobicContact CE1-CG2 3.71Å; F355-V359 HydrophobicContact CE2-CG2 4.34Å; F355-V359 HydrophobicContact CZ-CG2 3.83Å; F355-V359 WeakPolarHBondContact O-CG2 3.14Å; F355-V359 PolarHBondContact O-N 2.84Å; F355-V359 VanDerWaalsContact O-N 3.1Å |
| 356 | A | 94.9 | Very high | 91.8 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -57.1 | -41.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | F74 M335 A337 T352 C353 R358 V359 A360 | F74-A356 HydrophobicContact CE1-CB 3.72Å; F74-A356 HydrophobicContact CZ-CB 4.32Å; M335-A356 HydrophobicContact CE-CB 3.77Å; M335-A356 HydrophobicContact SD-CB 4.07Å; A337-A356 HydrophobicContact CB-CB 4.15Å; T352-A356 PolarHBondContact O-N 2.9Å; C353-A356 PolarHBondContact O-N 2.73Å; A356-R358 PolarHBondContact O-N 3.46Å; A356-V359 PolarHBondContact O-N 2.82Å; A356-V359 VanDerWaalsContact O-N 3.15Å; A356-A360 PolarHBondContact O-N 3.49Å |
| 357 | Q | 93.3 | Very high | 92 | Very high | 57 Ų | 57 | 41.7 Ų | 41.7 | 27% | 0.266 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -59.1 | -36 | 175.9 | -64.8 | -50 | -65.8 | 0 | 0 | 112.7 | F72 Q73 C353 R354 F355 | F72-Q357 HydrophobicContact CD1-CG 3.77Å; F72-Q357 HydrophobicContact CE1-CG 4.46Å; Q73-Q357 PolarHBondContact O-NE2 3.15Å; Q73-Q357 PolarHBondContact O-OE1 3.1Å; C353-Q357 WeakPolarHBondContact O-CG 3.42Å; C353-Q357 PolarHBondContact O-N 3.17Å; R354-Q357 PolarHBondContact O-N 3.37Å; F355-Q357 VanDerWaalsContact C-N 3.31Å; F355-Q357 PolarHBondContact O-N 3.1Å |
| 358 | R | 92.1 | Very high | 92.1 | Very high | 81 Ų | 81 | 39.2 Ų | 39.2 | 31% | 0.306 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -70.3 | -41.7 | 176.2 | -66.6 | -170.4 | -65.8 | -107.1 | 5.2 | 111.5 | I301 R354 F355 A356 A360 L361 | I301-R358 HydrophobicContact CG2-CB 3.9Å; R354-R358 PolarHBondContact O-N 2.56Å; F355-R358 WeakPolarHBondContact O-CB 3.32Å; F355-R358 PolarHBondContact O-N 3.07Å; A356-R358 PolarHBondContact O-N 3.46Å; R358-A360 VanDerWaalsContact C-N 3.27Å; R358-A360 PolarHBondContact O-N 2.85Å; R358-L361 WeakPolarHBondContact O-CB 3.43Å; R358-L361 PolarHBondContact O-N 2.84Å |
| 359 | V | 93.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -59.5 | -38.8 | 177.4 | 176.8 | 0 | 0 | 0 | 0 | 111.2 | I6 I8 F108 I301 M335 F355 A356 L361 I362 | I6-V359 HydrophobicContact CB-CG1 4.09Å; I6-V359 HydrophobicContact CD1-CG1 3.9Å; I6-V359 HydrophobicContact CG2-CG1 3.63Å; I8-V359 HydrophobicContact CG2-CB 4.46Å; I8-V359 HydrophobicContact CG2-CG1 4.37Å; F108-V359 HydrophobicContact CZ-CG1 4.34Å; I301-V359 HydrophobicContact CD1-CG2 4.01Å; I301-V359 HydrophobicContact CG1-CG2 4.13Å; I301-V359 HydrophobicContact CG2-CG2 3.86Å; M335-V359 HydrophobicContact SD-CB 3.88Å; M335-V359 HydrophobicContact SD-CG1 3.9Å; M335-V359 HydrophobicContact SD-CG2 3.81Å; F355-V359 HydrophobicContact CD1-CG2 4.13Å; F355-V359 HydrophobicContact CE1-CG2 3.71Å; F355-V359 HydrophobicContact CE2-CG2 4.34Å; F355-V359 HydrophobicContact CZ-CG2 3.83Å; F355-V359 WeakPolarHBondContact O-CG2 3.14Å; F355-V359 PolarHBondContact O-N 2.84Å; F355-V359 VanDerWaalsContact O-N 3.1Å; A356-V359 PolarHBondContact O-N 2.82Å; A356-V359 VanDerWaalsContact O-N 3.15Å; V359-L361 PolarHBondContact O-N 2.89Å; V359-L361 VanDerWaalsContact O-N 3.1Å; V359-I362 WeakPolarHBondContact O-CB 3.47Å; V359-I362 PolarHBondContact O-N 3.05Å; V359-I362 VanDerWaalsContact O-N 3.09Å |
| 360 | A | 91.7 | Very high | 92 | Very high | 20 Ų | 20 | 44.5 Ų | 44.5 | 17% | 0.165 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -20.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | I8 A356 R358 I362 | I8-A360 HydrophobicContact CD1-CB 3.63Å; I8-A360 HydrophobicContact CG1-CB 3.83Å; I8-A360 HydrophobicContact CG2-CB 4.04Å; A356-A360 PolarHBondContact O-N 3.49Å; R358-A360 VanDerWaalsContact C-N 3.27Å; R358-A360 PolarHBondContact O-N 2.85Å; A360-I362 VanDerWaalsContact C-N 3.32Å |
| 361 | L | 90.3 | Very high | 91.7 | Very high | 119 Ų | 119 | 47.4 Ų | 47.4 | 62% | 0.623 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.4 | -18.5 | 179.3 | -61 | 175.2 | 0 | 0 | 0 | 112.8 | A305 R358 V359 | A305-L361 HydrophobicContact CB-CB 4.47Å; R358-L361 WeakPolarHBondContact O-CB 3.43Å; R358-L361 PolarHBondContact O-N 2.84Å; V359-L361 PolarHBondContact O-N 2.89Å; V359-L361 VanDerWaalsContact O-N 3.1Å |
| 362 | I | 91.4 | Very high | 91.4 | Very high | 4 Ų | 4 | 50.4 Ų | 50.4 | 2% | 0.021 | 24% | 0.238 | C | C | . | . | trans | -73.6 | 141.2 | -177.9 | -66.8 | 178.4 | 0 | 0 | 0 | 110.4 | T5 I6 I301 L304 L327 V359 A360 | T5-I362 VanDerWaalsContact CA-O 3.31Å; T5-I362 WeakPolarHBondContact CA-O 3.44Å; I6-I362 HydrophobicContact CD1-CB 3.94Å; I6-I362 HydrophobicContact CD1-CG2 3.68Å; I6-I362 HydrophobicContact CG1-CB 4.36Å; I6-I362 HydrophobicContact CG1-CG2 4.22Å; I6-I362 PolarHBondContact N-O 3.22Å; I301-I362 HydrophobicContact CB-CD1 4.2Å; I301-I362 HydrophobicContact CD1-CD1 3.38Å; I301-I362 HydrophobicContact CG1-CD1 4.33Å; I301-I362 HydrophobicContact CG2-CD1 3.9Å; L304-I362 HydrophobicContact CB-CD1 3.92Å; L304-I362 HydrophobicContact CB-CG1 4.01Å; L304-I362 HydrophobicContact CD1-CD1 4.18Å; L327-I362 WeakPolarHBondContact O-CG2 3.32Å; V359-I362 WeakPolarHBondContact O-CB 3.47Å; V359-I362 PolarHBondContact O-N 3.05Å; V359-I362 VanDerWaalsContact O-N 3.09Å; A360-I362 VanDerWaalsContact C-N 3.32Å | ||
| 363 | K | 89.2 | Confident | 90.9 | Very high | 136 Ų | 136 | 51.8 Ų | 51.8 | 59% | 0.591 | 25% | 0.245 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 125 | 179.4 | -63.6 | -179.5 | -177.1 | -174.7 | 0 | 109.9 | Q4 T5 | Q4-K363 WeakPolarHBondContact O-CA 3.38Å; T5-K363 HydrophobicContact CG2-CG 3.84Å |
| 364 | N | 91 | Very high | 90.3 | Very high | 2 Ų | 2 | 54.5 Ų | 54.5 | 1% | 0.011 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 148.4 | 173.9 | -68.1 | -5.5 | 0 | 0 | 0 | 110.4 | R3 Q4 S326 L327 G328 C331 T333 | R3-N364 WeakPolarHBondContact CA-O 3.48Å; Q4-N364 PolarHBondContact N-O 3.4Å; Q4-N364 PolarHBondContact O-N 3.35Å; S326-N364 PolarHBondContact O-ND2 2.75Å; L327-N364 VanDerWaalsContact C-OD1 3.24Å; L327-N364 PolarHBondContact O-OD1 2.68Å; G328-N364 WeakPolarHBondContact CA-OD1 3.31Å; G328-N364 PolarHBondContact N-OD1 2.99Å; C331-N364 VanDerWaalsContact O-CB 3.28Å; C331-N364 WeakPolarHBondContact O-CB 3.48Å; C331-N364 PolarHBondContact O-ND2 2.88Å; T333-N364 PolarHBondContact OG1-ND2 2.94Å |
| 365 | E | 89.9 | Confident | 89.9 | Confident | 82 Ų | 82 | 56.4 Ų | 56.4 | 38% | 0.383 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 91.8 | 178.1 | -60 | -161.6 | 150 | 0 | 0 | 109.3 | R3 G329 N330 | R3-E365 HydrophobicContact CG-CG 4.2Å; R3-E365 IonicContact CZ-OE1 2.64Å; R3-E365 VanDerWaalsContact CZ-OE1 3.29Å; R3-E365 IonicContact NE-OE1 3.93Å; R3-E365 PolarHBondContact NE-OE1 3.32Å; R3-E365 IonicContact NH2-OE1 2.79Å; R3-E365 PolarHBondContact NH2-OE1 3.21Å; G329-E365 PolarHBondContact O-N 3.2Å; N330-E365 WeakPolarHBondContact CA-O 3.31Å |
| 366 | I | 90 | Very high | 89.5 | Confident | 13 Ų | 13 | 60.4 Ų | 60.4 | 7% | 0.067 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 132.5 | -175.4 | 59.6 | 164 | 0 | 0 | 0 | 111.5 | M1 V2 Y103 C331 M332 | M1-I366 WeakPolarHBondContact CA-O 3.49Å; V2-I366 HydrophobicContact CB-CD1 4.16Å; V2-I366 HydrophobicContact CB-CG1 3.87Å; V2-I366 PolarHBondContact N-O 3.4Å; V2-I366 VanDerWaalsContact N-O 3.14Å; V2-I366 VanDerWaalsContact O-CG1 3.24Å; V2-I366 WeakPolarHBondContact O-CG1 3.32Å; V2-I366 PolarHBondContact O-N 2.92Å; Y103-I366 HydrophobicContact CD1-CB 4.34Å; Y103-I366 HydrophobicContact CD1-CD1 4.46Å; C331-I366 WeakPolarHBondContact O-CG2 3.46Å; M332-I366 HydrophobicContact CB-CG2 4.36Å |
| 367 | T | 91.1 | Very high | 89 | Confident | 43 Ų | 43 | 62.6 Ų | 62.6 | 26% | 0.264 | 31% | 0.305 | S | S | . | . | trans | -130.1 | 144.2 | 175.9 | 49.7 | 0 | 0 | 0 | 0 | 110.8 | M1 Y103 N330 | M1-T367 HydrophobicContact CB-CG2 4.36Å; M1-T367 HydrophobicContact CE-CG2 4.3Å; M1-T367 HydrophobicContact CG-CG2 3.34Å; Y103-T367 WeakPolarHBondContact CD1-O 3.47Å; N330-T367 PolarHBondContact ND2-O 3.26Å; N330-T367 PolarHBondContact ND2-OG1 3.05Å; N330-T367 PolarHBondContact OD1-N 3.03Å; N330-T367 PolarHBondContact OD1-O 2.92Å; N330-T367 VanDerWaalsContact OD1-O 3.06Å; N330-T367 PolarHBondContact OD1-OG1 2.87Å | ||
| 368 | L | 91.2 | Very high | 88.8 | Confident | 59 Ų | 59 | 63.8 Ų | 63.8 | 31% | 0.309 | 31% | 0.313 | S | S | . | . | trans | -73.5 | 126.3 | 174.7 | 177.9 | 58.7 | 0 | 0 | 0 | 109.3 | L101 Y103 E370 | L101-L368 WeakPolarHBondContact O-CD1 3.13Å; Y103-L368 HydrophobicContact CD2-CD1 4.4Å; Y103-L368 HydrophobicContact CE1-CB 3.94Å; Y103-L368 HydrophobicContact CE2-CD1 4.12Å; L368-E370 VanDerWaalsContact CD2-CD 3.49Å; L368-E370 HydrophobicContact CD2-CG 4.02Å; L368-E370 VanDerWaalsContact CD2-OE1 3.23Å; L368-E370 WeakPolarHBondContact CD2-OE1 3.39Å; L368-E370 HydrophobicContact CG-CG 3.91Å; L368-E370 PolarHBondContact O-N 2.92Å | ||
| 369 | N | 90 | Very high | 88.6 | Confident | 40 Ų | 40 | 62.9 Ų | 62.9 | 21% | 0.214 | 31% | 0.314 | C | S | . | . | trans | -90.2 | 81.9 | -178.6 | -61.8 | -34 | 0 | 0 | 0 | 110.3 | G102 N104 R259 R260 N330 | G102-N369 WeakPolarHBondContact O-CB 3.42Å; G102-N369 PolarHBondContact O-N 2.84Å; G102-N369 VanDerWaalsContact O-N 3.11Å; N104-N369 VanDerWaalsContact CG-ND2 3.34Å; N104-N369 PolarHBondContact ND2-ND2 2.6Å; N104-N369 PolarHBondContact OD1-ND2 2.93Å; N104-N369 VanDerWaalsContact OD1-ND2 3.08Å; R259-N369 WeakPolarHBondContact CA-O 3.43Å; R260-N369 PolarHBondContact N-O 3.45Å; R260-N369 VanDerWaalsContact N-O 3.1Å; R260-N369 WeakPolarHBondContact O-CB 3.27Å; R260-N369 PolarHBondContact O-ND2 3.49Å; N330-N369 PolarHBondContact ND2-OD1 3.14Å | ||
| 370 | E | 89.4 | Confident | 88.3 | Confident | 95 Ų | 95 | 69 Ų | 69 | 44% | 0.444 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 134 | 172.8 | -81.2 | 173.7 | 172.6 | 0 | 0 | 110.5 | V257 R259 L368 | V257-E370 HydrophobicContact CG1-CB 4.07Å; V257-E370 HydrophobicContact CG1-CG 3.9Å; R259-E370 HydrophobicContact CG-CG 3.56Å; R259-E370 IonicContact CZ-OE1 2.75Å; R259-E370 IonicContact NE-OE1 2.94Å; R259-E370 PolarHBondContact NE-OE1 2.75Å; R259-E370 IonicContact NH2-OE1 2.87Å; R259-E370 PolarHBondContact NH2-OE1 2.8Å; L368-E370 VanDerWaalsContact CD2-CD 3.49Å; L368-E370 HydrophobicContact CD2-CG 4.02Å; L368-E370 VanDerWaalsContact CD2-OE1 3.23Å; L368-E370 WeakPolarHBondContact CD2-OE1 3.39Å; L368-E370 HydrophobicContact CG-CG 3.91Å; L368-E370 PolarHBondContact O-N 2.92Å |
| 371 | E | 86.8 | Confident | 88.2 | Confident | 64 Ų | 64 | 72.5 Ų | 72.5 | 30% | 0.299 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 154.7 | 171.1 | 72.3 | -161.1 | 114.8 | 0 | 0 | 110.4 | I258 R260 | I258-E371 HydrophobicContact CB-CG 4.18Å; I258-E371 PolarHBondContact N-O 3.43Å; I258-E371 PolarHBondContact O-N 2.93Å; R260-E371 WeakPolarHBondContact CD-OE1 3.44Å; R260-E371 WeakPolarHBondContact CG-OE1 3.33Å; R260-E371 IonicContact CZ-OE1 2.82Å; R260-E371 IonicContact CZ-OE2 3.93Å; R260-E371 IonicContact NE-OE1 2.76Å; R260-E371 PolarHBondContact NE-OE1 2.85Å; R260-E371 IonicContact NH1-OE1 2.87Å; R260-E371 PolarHBondContact NH1-OE1 2.87Å; R260-E371 IonicContact NH1-OE2 2.75Å; R260-E371 PolarHBondContact NH1-OE2 3.4Å; R260-E371 IonicContact NH2-OE1 3.62Å; R260-E371 PolarHBondContact NH2-OE1 3.15Å; R260-E371 IonicContact NH2-OE2 3.06Å; R260-E371 PolarHBondContact NH2-OE2 3.32Å |
| 372 | Q | 85.2 | Confident | 88.3 | Confident | 123 Ų | 123 | 72.8 Ų | 72.8 | 58% | 0.575 | 35% | 0.354 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 146.6 | 169.1 | -72.2 | -173.9 | -9.8 | 0 | 0 | 109.9 | P374 | Q372-P374 WeakPolarHBondContact O-CD 3.48Å |
| 373 | D | 84.3 | Confident | 88.2 | Confident | 31 Ų | 31 | 76.6 Ų | 76.6 | 17% | 0.166 | 38% | 0.381 | C | S | . | . | trans | -52.3 | 114.5 | 174.9 | -169.1 | -29.9 | 0 | 0 | 0 | 110 | R251 S256 I258 Y375 L376 T377 | R251-D373 IonicContact CZ-OD2 3.96Å; R251-D373 IonicContact NH2-OD2 2.84Å; R251-D373 PolarHBondContact NH2-OD2 3.41Å; S256-D373 PolarHBondContact O-N 2.89Å; I258-D373 HydrophobicContact CD1-CB 3.92Å; I258-D373 HydrophobicContact CG1-CB 4.39Å; D373-Y375 PolarHBondContact O-N 2.97Å; D373-Y375 VanDerWaalsContact O-N 3.09Å; D373-Y375 WeakPolarHBondContact OD1-CB 3.47Å; D373-Y375 PolarHBondContact OD1-N 3.45Å; D373-L376 HydrophobicContact CB-CB 4.27Å; D373-L376 HydrophobicContact CB-CD1 4.01Å; D373-L376 HydrophobicContact CB-CG 4.04Å; D373-L376 PolarHBondContact O-N 3.35Å; D373-T377 PolarHBondContact O-N 2.94Å; D373-T377 PolarHBondContact O-OG1 3Å | ||
| 374 | P | 83.4 | Confident | 88.4 | Confident | 56 Ų | 56 | 73.9 Ų | 73.9 | 36% | 0.364 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -55.9 | -32.1 | -177.2 | -26.6 | 34.9 | 0 | 0 | 0 | 112.5 | Q372 T377 I378 | Q372-P374 WeakPolarHBondContact O-CD 3.48Å; P374-T377 PolarHBondContact O-N 3.39Å; P374-I378 VanDerWaalsContact O-CB 3.26Å; P374-I378 WeakPolarHBondContact O-CB 3.4Å; P374-I378 WeakPolarHBondContact O-CD1 3.2Å; P374-I378 WeakPolarHBondContact O-CG1 3.35Å; P374-I378 PolarHBondContact O-N 3.43Å |
| 375 | Y | 85.9 | Confident | 88.4 | Confident | 159 Ų | 159 | 77.8 Ų | 77.8 | 62% | 0.624 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -65.3 | -42.4 | 178.4 | -176.9 | -103.6 | 0 | 0 | 0 | 111.7 | D373 N379 | D373-Y375 PolarHBondContact O-N 2.97Å; D373-Y375 VanDerWaalsContact O-N 3.09Å; D373-Y375 WeakPolarHBondContact OD1-CB 3.47Å; D373-Y375 PolarHBondContact OD1-N 3.45Å; Y375-N379 WeakPolarHBondContact CE1-ND2 3.43Å; Y375-N379 VanDerWaalsContact CZ-ND2 3.28Å; Y375-N379 WeakPolarHBondContact O-CB 3.49Å; Y375-N379 VanDerWaalsContact O-CG 3.24Å; Y375-N379 PolarHBondContact O-N 3.47Å; Y375-N379 PolarHBondContact O-ND2 2.98Å |
| 376 | L | 84.5 | Confident | 88.3 | Confident | 85 Ų | 85 | 79.4 Ų | 79.4 | 45% | 0.445 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -68.5 | -43.5 | 177 | -64.6 | 179.2 | 0 | 0 | 0 | 111.2 | S256 D373 I378 N379 H380 | S256-L376 VanDerWaalsContact CB-CD1 3.5Å; D373-L376 HydrophobicContact CB-CB 4.27Å; D373-L376 HydrophobicContact CB-CD1 4.01Å; D373-L376 HydrophobicContact CB-CG 4.04Å; D373-L376 PolarHBondContact O-N 3.35Å; L376-I378 PolarHBondContact O-N 3.34Å; L376-N379 PolarHBondContact O-N 3.43Å; L376-H380 WeakPolarHBondContact O-CB 3.4Å; L376-H380 PolarHBondContact O-N 3.13Å |
| 377 | T | 84.9 | Confident | 88.1 | Confident | 45 Ų | 45 | 84.1 Ų | 84.1 | 28% | 0.276 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -62 | -44.1 | 176.4 | -52.4 | 0 | 0 | 0 | 0 | 111.4 | D373 P374 N379 H380 L381 | D373-T377 PolarHBondContact O-N 2.94Å; D373-T377 PolarHBondContact O-OG1 3Å; P374-T377 PolarHBondContact O-N 3.39Å; T377-N379 VanDerWaalsContact C-N 3.35Å; T377-N379 PolarHBondContact O-N 2.87Å; T377-H380 PolarHBondContact O-N 3.29Å; T377-L381 HydrophobicContact CG2-CD1 3.98Å; T377-L381 HydrophobicContact CG2-CG 4.34Å; T377-L381 WeakPolarHBondContact O-CB 3.39Å; T377-L381 VanDerWaalsContact O-CG 3.23Å; T377-L381 WeakPolarHBondContact O-CG 3.24Å; T377-L381 PolarHBondContact O-N 2.9Å |
| 378 | I | 89 | Confident | 87.9 | Confident | 83 Ų | 83 | 85.6 Ų | 85.6 | 43% | 0.426 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -63.5 | -40.9 | 178 | -71.9 | 165.1 | 0 | 0 | 0 | 111 | P374 L376 L381 K382 | P374-I378 VanDerWaalsContact O-CB 3.26Å; P374-I378 WeakPolarHBondContact O-CB 3.4Å; P374-I378 WeakPolarHBondContact O-CD1 3.2Å; P374-I378 WeakPolarHBondContact O-CG1 3.35Å; P374-I378 PolarHBondContact O-N 3.43Å; L376-I378 PolarHBondContact O-N 3.34Å; I378-L381 PolarHBondContact O-N 3.23Å; I378-K382 HydrophobicContact CG2-CD 4.07Å; I378-K382 HydrophobicContact CG2-CG 4.44Å; I378-K382 WeakPolarHBondContact O-CB 3.42Å; I378-K382 VanDerWaalsContact O-CG 3.26Å; I378-K382 WeakPolarHBondContact O-CG 2.81Å; I378-K382 PolarHBondContact O-N 2.86Å |
| 379 | N | 87.6 | Confident | 87.5 | Confident | 62 Ų | 62 | 88.2 Ų | 88.2 | 33% | 0.332 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -67.5 | -41.9 | 177.9 | -72.6 | -21.1 | 0 | 0 | 0 | 112.1 | Y375 L376 T377 K382 S383 | Y375-N379 WeakPolarHBondContact CE1-ND2 3.43Å; Y375-N379 VanDerWaalsContact CZ-ND2 3.28Å; Y375-N379 WeakPolarHBondContact O-CB 3.49Å; Y375-N379 VanDerWaalsContact O-CG 3.24Å; Y375-N379 PolarHBondContact O-N 3.47Å; Y375-N379 PolarHBondContact O-ND2 2.98Å; L376-N379 PolarHBondContact O-N 3.43Å; T377-N379 VanDerWaalsContact C-N 3.35Å; T377-N379 PolarHBondContact O-N 2.87Å; N379-K382 PolarHBondContact O-N 3.4Å; N379-S383 PolarHBondContact O-N 3.09Å |
| 380 | H | 86.6 | Confident | 86.9 | Confident | 128 Ų | 128 | 89.2 Ų | 89.2 | 59% | 0.593 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -60.3 | -48.4 | 173.4 | -177.9 | -84.2 | 0 | 0 | 0 | 111.3 | L376 T377 K382 S383 E384 | L376-H380 WeakPolarHBondContact O-CB 3.4Å; L376-H380 PolarHBondContact O-N 3.13Å; T377-H380 PolarHBondContact O-N 3.29Å; H380-K382 VanDerWaalsContact C-N 3.32Å; H380-K382 PolarHBondContact O-N 3.33Å; H380-S383 WeakPolarHBondContact O-CB 3.49Å; H380-S383 PolarHBondContact O-N 3.36Å; H380-E384 WeakPolarHBondContact O-CB 3.42Å; H380-E384 PolarHBondContact O-N 2.96Å |
| 381 | L | 91 | Very high | 86.5 | Confident | 93 Ų | 93 | 89.9 Ų | 89.9 | 49% | 0.487 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -61.8 | -38.5 | 177.8 | -73.2 | 174.7 | 0 | 0 | 0 | 112.4 | T377 I378 E384 I385 | T377-L381 HydrophobicContact CG2-CD1 3.98Å; T377-L381 HydrophobicContact CG2-CG 4.34Å; T377-L381 WeakPolarHBondContact O-CB 3.39Å; T377-L381 VanDerWaalsContact O-CG 3.23Å; T377-L381 WeakPolarHBondContact O-CG 3.24Å; T377-L381 PolarHBondContact O-N 2.9Å; I378-L381 PolarHBondContact O-N 3.23Å; L381-E384 PolarHBondContact O-N 3.08Å; L381-I385 VanDerWaalsContact O-CB 3.32Å; L381-I385 WeakPolarHBondContact O-CB 3.36Å; L381-I385 WeakPolarHBondContact O-CD1 2.92Å; L381-I385 WeakPolarHBondContact O-CG1 3.32Å; L381-I385 PolarHBondContact O-N 2.97Å |
| 382 | K | 92.8 | Very high | 85.9 | Confident | 126 Ų | 126 | 91.9 Ų | 91.9 | 55% | 0.548 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -63.4 | -43.9 | 174.3 | -78 | 174 | 179.2 | 177 | 0 | 111.7 | I378 N379 H380 I385 E386 | I378-K382 HydrophobicContact CG2-CD 4.07Å; I378-K382 HydrophobicContact CG2-CG 4.44Å; I378-K382 WeakPolarHBondContact O-CB 3.42Å; I378-K382 VanDerWaalsContact O-CG 3.26Å; I378-K382 WeakPolarHBondContact O-CG 2.81Å; I378-K382 PolarHBondContact O-N 2.86Å; N379-K382 PolarHBondContact O-N 3.4Å; H380-K382 VanDerWaalsContact C-N 3.32Å; H380-K382 PolarHBondContact O-N 3.33Å; K382-I385 PolarHBondContact O-N 3.11Å; K382-E386 WeakPolarHBondContact O-CG 3.13Å; K382-E386 PolarHBondContact O-N 3.34Å |
| 383 | S | 88.3 | Confident | 85.2 | Confident | 83 Ų | 83 | 87.6 Ų | 87.6 | 58% | 0.58 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -62.3 | -44.3 | 176.6 | -170.5 | 0 | 0 | 0 | 0 | 111.7 | N379 H380 E386 H387 | N379-S383 PolarHBondContact O-N 3.09Å; H380-S383 WeakPolarHBondContact O-CB 3.49Å; H380-S383 PolarHBondContact O-N 3.36Å; S383-E386 PolarHBondContact O-N 3.47Å; S383-H387 PolarHBondContact O-N 2.92Å |
| 384 | E | 92.8 | Very high | 84.4 | Confident | 79 Ų | 79 | 93.2 Ų | 93.2 | 37% | 0.369 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -64.1 | -42 | 177.7 | -172.5 | 61.6 | -163.2 | 0 | 0 | 111.5 | H380 L381 E386 H387 L388 | H380-E384 WeakPolarHBondContact O-CB 3.42Å; H380-E384 PolarHBondContact O-N 2.96Å; L381-E384 PolarHBondContact O-N 3.08Å; E384-E386 VanDerWaalsContact C-N 3.31Å; E384-E386 PolarHBondContact O-N 3.42Å; E384-H387 PolarHBondContact O-N 3.43Å; E384-L388 HydrophobicContact CG-CD1 3.93Å; E384-L388 HydrophobicContact CG-CG 4.35Å; E384-L388 WeakPolarHBondContact O-CB 3.43Å; E384-L388 VanDerWaalsContact O-CG 3.29Å; E384-L388 WeakPolarHBondContact O-CG 3.47Å; E384-L388 PolarHBondContact O-N 3.02Å |
| 385 | I | 91.3 | Very high | 83.5 | Confident | 85 Ų | 85 | 94 Ų | 94 | 44% | 0.436 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -60.6 | -41.1 | 175.3 | -75.2 | 166.8 | 0 | 0 | 0 | 111.1 | L381 K382 K389 | L381-I385 VanDerWaalsContact O-CB 3.32Å; L381-I385 WeakPolarHBondContact O-CB 3.36Å; L381-I385 WeakPolarHBondContact O-CD1 2.92Å; L381-I385 WeakPolarHBondContact O-CG1 3.32Å; L381-I385 PolarHBondContact O-N 2.97Å; K382-I385 PolarHBondContact O-N 3.11Å; I385-K389 HydrophobicContact CG2-CD 4.07Å; I385-K389 HydrophobicContact CG2-CG 4.47Å; I385-K389 VanDerWaalsContact O-CB 3.3Å; I385-K389 WeakPolarHBondContact O-CB 3.36Å; I385-K389 WeakPolarHBondContact O-CD 3.3Å; I385-K389 WeakPolarHBondContact O-CG 3.48Å; I385-K389 PolarHBondContact O-N 2.84Å |
| 386 | E | 88.7 | Confident | 82.6 | Confident | 116 Ų | 116 | 90 Ų | 90 | 54% | 0.542 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -67.2 | -41.2 | 176.4 | -70.4 | -63.1 | 114.5 | 0 | 0 | 111.7 | K382 S383 E384 K389 A390 | K382-E386 WeakPolarHBondContact O-CG 3.13Å; K382-E386 PolarHBondContact O-N 3.34Å; S383-E386 PolarHBondContact O-N 3.47Å; E384-E386 VanDerWaalsContact C-N 3.31Å; E384-E386 PolarHBondContact O-N 3.42Å; E386-K389 PolarHBondContact O-N 3.43Å; E386-K389 IonicContact OE1-NZ 2.79Å; E386-K389 PolarHBondContact OE1-NZ 3.07Å; E386-A390 PolarHBondContact O-N 3.05Å |
| 387 | H | 86.1 | Confident | 81.3 | Confident | 112 Ų | 112 | 86.7 Ų | 86.7 | 52% | 0.519 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -61.9 | -50.5 | 175.5 | -177.5 | 51.7 | 0 | 0 | 0 | 112.2 | S383 E384 K389 A390 E391 | S383-H387 PolarHBondContact O-N 2.92Å; E384-H387 PolarHBondContact O-N 3.43Å; H387-K389 VanDerWaalsContact C-N 3.3Å; H387-K389 PolarHBondContact O-N 3.18Å; H387-A390 WeakPolarHBondContact O-CB 3.28Å; H387-A390 PolarHBondContact O-N 3.37Å; H387-A390 VanDerWaalsContact O-N 3.08Å; H387-E391 PolarHBondContact O-N 3.45Å |
| 388 | L | 87 | Confident | 80 | Confident | 74 Ų | 74 | 90.2 Ų | 90.2 | 39% | 0.387 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -62.7 | -36.7 | 177.9 | -71.1 | 171.2 | 0 | 0 | 0 | 111.9 | E384 E391 L392 | E384-L388 HydrophobicContact CG-CD1 3.93Å; E384-L388 HydrophobicContact CG-CG 4.35Å; E384-L388 WeakPolarHBondContact O-CB 3.43Å; E384-L388 VanDerWaalsContact O-CG 3.29Å; E384-L388 WeakPolarHBondContact O-CG 3.47Å; E384-L388 PolarHBondContact O-N 3.02Å; L388-E391 PolarHBondContact O-N 2.8Å; L388-L392 VanDerWaalsContact O-CB 3.29Å; L388-L392 WeakPolarHBondContact O-CB 3.45Å; L388-L392 VanDerWaalsContact O-CG 3.23Å; L388-L392 WeakPolarHBondContact O-CG 3.09Å; L388-L392 PolarHBondContact O-N 3.36Å |
| 389 | K | 82 | Confident | 78.3 | Confident | 114 Ų | 114 | 91 Ų | 91 | 50% | 0.496 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -64.5 | -40.2 | 173.1 | -78.7 | 171.8 | -172.3 | 167 | 0 | 111.8 | I385 E386 H387 A393 | I385-K389 HydrophobicContact CG2-CD 4.07Å; I385-K389 HydrophobicContact CG2-CG 4.47Å; I385-K389 VanDerWaalsContact O-CB 3.3Å; I385-K389 WeakPolarHBondContact O-CB 3.36Å; I385-K389 WeakPolarHBondContact O-CD 3.3Å; I385-K389 WeakPolarHBondContact O-CG 3.48Å; I385-K389 PolarHBondContact O-N 2.84Å; E386-K389 PolarHBondContact O-N 3.43Å; E386-K389 IonicContact OE1-NZ 2.79Å; E386-K389 PolarHBondContact OE1-NZ 3.07Å; H387-K389 VanDerWaalsContact C-N 3.3Å; H387-K389 PolarHBondContact O-N 3.18Å; K389-A393 VanDerWaalsContact O-CB 3.3Å; K389-A393 WeakPolarHBondContact O-CB 3.34Å; K389-A393 PolarHBondContact O-N 2.69Å |
| 390 | A | 78 | Confident | 76.5 | Confident | 60 Ų | 60 | 97.1 Ų | 97.1 | 50% | 0.496 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -66.6 | -43 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | E386 H387 A393 F394 | E386-A390 PolarHBondContact O-N 3.05Å; H387-A390 WeakPolarHBondContact O-CB 3.28Å; H387-A390 PolarHBondContact O-N 3.37Å; H387-A390 VanDerWaalsContact O-N 3.08Å; A390-A393 WeakPolarHBondContact O-CB 3.47Å; A390-A393 PolarHBondContact O-N 2.75Å; A390-F394 WeakPolarHBondContact O-CB 3.41Å; A390-F394 PolarHBondContact O-N 2.91Å |
| 391 | E | 80.5 | Confident | 74.8 | Confident | 110 Ų | 110 | 98.4 Ų | 98.4 | 51% | 0.514 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.5 | -43.2 | 175 | -171.1 | -177.1 | 178.4 | 0 | 0 | 111.6 | H387 L388 A393 F394 A395 | H387-E391 PolarHBondContact O-N 3.45Å; L388-E391 PolarHBondContact O-N 2.8Å; E391-A393 VanDerWaalsContact C-N 3.34Å; E391-A393 PolarHBondContact O-N 3.06Å; E391-F394 CarbonylContact O-C 3.59Å; E391-F394 WeakPolarHBondContact O-CB 3.42Å; E391-F394 PolarHBondContact O-N 3.48Å; E391-A395 WeakPolarHBondContact O-CB 3.47Å; E391-A395 PolarHBondContact O-N 3.4Å |
| 392 | L | 73.7 | Confident | 73 | Confident | 106 Ų | 106 | 95.8 Ų | 95.8 | 56% | 0.555 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -65 | -37.4 | 174.4 | -74.9 | 175.7 | 0 | 0 | 0 | 112.1 | L388 F394 A395 T396 | L388-L392 VanDerWaalsContact O-CB 3.29Å; L388-L392 WeakPolarHBondContact O-CB 3.45Å; L388-L392 VanDerWaalsContact O-CG 3.23Å; L388-L392 WeakPolarHBondContact O-CG 3.09Å; L388-L392 PolarHBondContact O-N 3.36Å; L392-F394 VanDerWaalsContact C-N 3.32Å; L392-A395 PolarHBondContact O-N 3.35Å; L392-T396 VanDerWaalsContact O-CB 3.31Å; L392-T396 WeakPolarHBondContact O-CB 3.12Å; L392-T396 WeakPolarHBondContact O-CG2 3.49Å; L392-T396 PolarHBondContact O-N 3.44Å; L392-T396 PolarHBondContact O-OG1 3.09Å |
| 393 | A | 71.3 | Confident | 71.3 | Confident | 32 Ų | 32 | 95.9 Ų | 95.9 | 26% | 0.264 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.1 | -43.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | K389 A390 E391 G397 | K389-A393 VanDerWaalsContact O-CB 3.3Å; K389-A393 WeakPolarHBondContact O-CB 3.34Å; K389-A393 PolarHBondContact O-N 2.69Å; A390-A393 WeakPolarHBondContact O-CB 3.47Å; A390-A393 PolarHBondContact O-N 2.75Å; E391-A393 VanDerWaalsContact C-N 3.34Å; E391-A393 PolarHBondContact O-N 3.06Å; A393-G397 PolarHBondContact O-N 3.08Å; A393-G397 VanDerWaalsContact O-N 3.09Å |
| 394 | F | 67.3 | Low | 70 | Confident | 149 Ų | 149 | 93 Ų | 93 | 65% | 0.654 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -64.4 | -43.5 | 175.2 | -176.6 | -96.4 | 0 | 0 | 0 | 112.7 | A390 E391 L392 I439 | A390-F394 WeakPolarHBondContact O-CB 3.41Å; A390-F394 PolarHBondContact O-N 2.91Å; E391-F394 CarbonylContact O-C 3.59Å; E391-F394 WeakPolarHBondContact O-CB 3.42Å; E391-F394 PolarHBondContact O-N 3.48Å; L392-F394 VanDerWaalsContact C-N 3.32Å; F394-I439 WeakPolarHBondContact O-CD1 3.44Å |
| 395 | A | 65 | Low | 69 | Low | 72 Ų | 72 | 93.7 Ų | 93.7 | 60% | 0.595 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -77.7 | -38.9 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | E391 L392 | E391-A395 WeakPolarHBondContact O-CB 3.47Å; E391-A395 PolarHBondContact O-N 3.4Å; L392-A395 PolarHBondContact O-N 3.35Å |
| 396 | T | 65.7 | Low | 68.2 | Low | 77 Ų | 77 | 94.2 Ų | 94.2 | 47% | 0.472 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -85.5 | -20.3 | -177.1 | 62 | 0 | 0 | 0 | 0 | 112.8 | L392 I398 | L392-T396 VanDerWaalsContact O-CB 3.31Å; L392-T396 WeakPolarHBondContact O-CB 3.12Å; L392-T396 WeakPolarHBondContact O-CG2 3.49Å; L392-T396 PolarHBondContact O-N 3.44Å; L392-T396 PolarHBondContact O-OG1 3.09Å; T396-I398 PolarHBondContact O-N 3.22Å; T396-I398 VanDerWaalsContact O-N 3.13Å |
| 397 | G | 58.4 | Low | 67.4 | Low | 14 Ų | 14 | 94.4 Ų | 94.4 | 14% | 0.144 | 51% | 0.509 | C | S | . | . | trans | 62 | 14.5 | -174 | 0 | 0 | 0 | 0 | 0 | 113.5 | A393 E399 H440 | A393-G397 PolarHBondContact O-N 3.08Å; A393-G397 VanDerWaalsContact O-N 3.09Å; G397-E399 VanDerWaalsContact C-N 3.33Å; G397-E399 PolarHBondContact O-N 2.88Å; G397-H440 PolarHBondContact O-NE2 3.21Å | ||
| 398 | I | 57.7 | Low | 66.7 | Low | 120 Ų | 120 | 91.9 Ų | 91.9 | 62% | 0.615 | 50% | 0.499 | S | S | * | . | trans | -95.1 | 66.9 | 176.4 | -48.6 | 170.9 | 0 | 0 | 0 | 107.1 | T396 K400 | T396-I398 PolarHBondContact O-N 3.22Å; T396-I398 VanDerWaalsContact O-N 3.13Å; I398-K400 PolarHBondContact O-N 2.65Å | ||
| 399 | E | 52.7 | Low | 66.1 | Low | 100 Ų | 100 | 92.4 Ų | 92.4 | 47% | 0.467 | 50% | 0.499 | S | S | . | . | trans | -67.8 | 131.1 | 153.9 | -73.6 | -170.2 | 136.7 | 0 | 0 | 107.2 | G397 D401 A402 H440 | G397-E399 VanDerWaalsContact C-N 3.33Å; G397-E399 PolarHBondContact O-N 2.88Å; E399-D401 PolarHBondContact O-N 2.74Å; E399-D401 VanDerWaalsContact O-N 3.16Å; E399-A402 HydrophobicContact CB-CB 3.95Å; E399-A402 WeakPolarHBondContact OE2-CB 3.41Å; E399-H440 IonicContact OE2-CE1 3.49Å; E399-H440 PolarHBondContact OE2-CE1 2.79Å; E399-H440 IonicContact OE2-ND1 3.95Å | ||
| 400 | K | 49.9 | Very low | 65.9 | Low | 189 Ų | 189 | 91.8 Ų | 91.8 | 82% | 0.822 | 50% | 0.498 | S | S | * | . | S | Bend | trans | -64.7 | -17.9 | -174.3 | -90.2 | 178.8 | 175.8 | 170.6 | 0 | 114 | I398 | I398-K400 PolarHBondContact O-N 2.65Š|
| 401 | D | 50.6 | Low | 65.9 | Low | 155 Ų | 155 | 94.3 Ų | 94.3 | 83% | 0.829 | 50% | 0.497 | S | S | * | . | S | Bend | trans | -147.4 | 7.5 | -173.7 | -69.6 | -60.2 | 0 | 0 | 0 | 115.5 | E399 T403 | E399-D401 PolarHBondContact O-N 2.74Å; E399-D401 VanDerWaalsContact O-N 3.16Å; D401-T403 PolarHBondContact O-N 2.97Å |
| 402 | A | 53 | Low | 65.7 | Low | 38 Ų | 38 | 89.1 Ų | 89.1 | 31% | 0.314 | 47% | 0.473 | S | S | . | . | trans | -93.3 | 59.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | E399 L404 | E399-A402 HydrophobicContact CB-CB 3.95Å; E399-A402 WeakPolarHBondContact OE2-CB 3.41Å; A402-L404 PolarHBondContact O-N 3.03Å | ||
| 403 | T | 57.8 | Low | 65.9 | Low | 129 Ų | 129 | 87.8 Ų | 87.8 | 79% | 0.791 | 46% | 0.464 | S | S | * | . | trans | -63.7 | 121.2 | 160.4 | 46.5 | 0 | 0 | 0 | 0 | 108.5 | D401 N405 | D401-T403 PolarHBondContact O-N 2.97Å; T403-N405 PolarHBondContact O-N 3.21Å | ||
| 404 | L | 61 | Low | 66.3 | Low | 22 Ų | 22 | 92.9 Ų | 92.9 | 12% | 0.115 | 48% | 0.48 | C | S | . | . | trans | -45.2 | 127.8 | 174.5 | -78.8 | 161 | 0 | 0 | 0 | 110.9 | A402 D408 K409 H440 M441 F444 | A402-L404 PolarHBondContact O-N 3.03Å; L404-D408 HydrophobicContact CB-CB 4.46Å; L404-D408 HydrophobicContact CD2-CB 3.61Å; L404-K409 HydrophobicContact CB-CG 3.82Å; L404-K409 HydrophobicContact CD1-CG 4.44Å; L404-K409 WeakPolarHBondContact O-CE 3.48Å; L404-H440 HydrophobicContact CD1-CB 3.75Å; L404-H440 WeakPolarHBondContact CD1-O 3.41Å; L404-H440 HydrophobicContact CD2-CB 4.34Å; L404-H440 HydrophobicContact CG-CB 3.73Å; L404-M441 HydrophobicContact CD2-CG 3.71Å; L404-F444 HydrophobicContact CD1-CB 3.77Å; L404-F444 HydrophobicContact CD1-CG 4.16Å | ||
| 405 | N | 70.6 | Confident | 66.8 | Low | 94 Ų | 94 | 88 Ų | 88 | 50% | 0.503 | 46% | 0.46 | S | S | . | . | trans | -62.1 | 158.2 | 173.5 | -166.6 | 10 | 0 | 0 | 0 | 109.8 | T403 E407 D408 K409 | T403-N405 PolarHBondContact O-N 3.21Å; N405-E407 PolarHBondContact O-N 2.89Å; N405-D408 PolarHBondContact O-N 3.49Å; N405-K409 PolarHBondContact O-N 3.02Å | ||
| 406 | V | 74.6 | Confident | 67.3 | Low | 96 Ų | 96 | 84.8 Ų | 84.8 | 58% | 0.582 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -56.2 | -41.9 | 179.6 | -179.3 | 0 | 0 | 0 | 0 | 110.6 | D408 K409 E410 | V406-D408 VanDerWaalsContact C-N 3.35Å; V406-D408 PolarHBondContact O-N 3.25Å; V406-K409 PolarHBondContact O-N 3.37Å; V406-E410 WeakPolarHBondContact O-CG 3.38Å; V406-E410 PolarHBondContact O-N 2.87Å |
| 407 | E | 72.8 | Confident | 67.7 | Low | 119 Ų | 119 | 85.3 Ų | 85.3 | 56% | 0.556 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -61 | -38.7 | 175.7 | -75.9 | -177.4 | 167.7 | 0 | 0 | 113.4 | N405 E410 K411 | N405-E407 PolarHBondContact O-N 2.89Å; E407-E410 PolarHBondContact O-N 2.93Å; E407-K411 WeakPolarHBondContact O-CB 3.3Å; E407-K411 VanDerWaalsContact O-CG 3.25Å; E407-K411 WeakPolarHBondContact O-CG 3.36Å; E407-K411 PolarHBondContact O-N 3.5Å |
| 408 | D | 71.6 | Confident | 68.6 | Low | 59 Ų | 59 | 90.8 Ų | 90.8 | 32% | 0.316 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -73.2 | -34.8 | -179.2 | -61.1 | -36.2 | 0 | 0 | 0 | 111.3 | L404 N405 V406 C412 | L404-D408 HydrophobicContact CB-CB 4.46Å; L404-D408 HydrophobicContact CD2-CB 3.61Å; N405-D408 PolarHBondContact O-N 3.49Å; V406-D408 VanDerWaalsContact C-N 3.35Å; V406-D408 PolarHBondContact O-N 3.25Å; D408-C412 VanDerWaalsContact O-CB 3.24Å; D408-C412 WeakPolarHBondContact O-CB 3.34Å; D408-C412 PolarHBondContact O-N 2.83Å |
| 409 | K | 73.4 | Confident | 69.4 | Low | 86 Ų | 86 | 87.2 Ų | 87.2 | 37% | 0.374 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -63.4 | -46.9 | 170.9 | -69.7 | -179.6 | -177.7 | 171.1 | 0 | 111.1 | L404 N405 V406 K411 C412 E413 F444 | L404-K409 HydrophobicContact CB-CG 3.82Å; L404-K409 HydrophobicContact CD1-CG 4.44Å; L404-K409 WeakPolarHBondContact O-CE 3.48Å; N405-K409 PolarHBondContact O-N 3.02Å; V406-K409 PolarHBondContact O-N 3.37Å; K409-K411 PolarHBondContact O-N 3.24Å; K409-C412 PolarHBondContact O-N 3.48Å; K409-E413 PolarHBondContact O-N 3.27Å; K409-F444 HydrophobicContact CB-CE1 3.85Å; K409-F444 HydrophobicContact CB-CE2 4.37Å; K409-F444 HydrophobicContact CB-CZ 3.73Å; K409-F444 HydrophobicContact CD-CE2 4.14Å; K409-F444 HydrophobicContact CD-CZ 4.31Å; K409-F444 HydrophobicContact CG-CD1 4.49Å; K409-F444 HydrophobicContact CG-CD2 4.43Å; K409-F444 HydrophobicContact CG-CE1 4.14Å; K409-F444 HydrophobicContact CG-CE2 4.08Å; K409-F444 HydrophobicContact CG-CZ 3.92Å; K409-F444 WeakPolarHBondContact O-CE1 3.27Å |
| 410 | E | 79.2 | Confident | 70.2 | Confident | 101 Ų | 101 | 85.9 Ų | 85.9 | 47% | 0.472 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -63.3 | -41.6 | 177.7 | -74.1 | -178.1 | -177.2 | 0 | 0 | 112.2 | V406 E407 E413 K414 | V406-E410 WeakPolarHBondContact O-CG 3.38Å; V406-E410 PolarHBondContact O-N 2.87Å; E407-E410 PolarHBondContact O-N 2.93Å; E410-E413 PolarHBondContact O-N 3.31Å; E410-K414 WeakPolarHBondContact O-CB 3.36Å; E410-K414 WeakPolarHBondContact O-CG 3.49Å; E410-K414 PolarHBondContact O-N 3.31Å |
| 411 | K | 77.8 | Confident | 71.2 | Confident | 113 Ų | 113 | 83 Ų | 83 | 49% | 0.491 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -61.2 | -44.6 | 173.6 | -75.6 | 170.8 | -170.6 | 164.7 | 0 | 111.3 | E407 K409 K414 L415 | E407-K411 WeakPolarHBondContact O-CB 3.3Å; E407-K411 VanDerWaalsContact O-CG 3.25Å; E407-K411 WeakPolarHBondContact O-CG 3.36Å; E407-K411 PolarHBondContact O-N 3.5Å; K409-K411 PolarHBondContact O-N 3.24Å; K411-K414 PolarHBondContact O-N 3.42Å; K411-L415 WeakPolarHBondContact O-CG 3.37Å; K411-L415 PolarHBondContact O-N 2.98Å |
| 412 | C | 74.9 | Confident | 72 | Confident | 0 Ų | 0 | 79.7 Ų | 79.7 | 0% | 0 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -64.6 | -44 | 178.5 | -166.4 | 0 | 0 | 0 | 0 | 111.5 | D408 K409 K414 L415 I416 M441 F444 | D408-C412 VanDerWaalsContact O-CB 3.24Å; D408-C412 WeakPolarHBondContact O-CB 3.34Å; D408-C412 PolarHBondContact O-N 2.83Å; K409-C412 PolarHBondContact O-N 3.48Å; C412-K414 PolarHBondContact O-N 2.79Å; C412-L415 PolarHBondContact O-N 2.77Å; C412-I416 WeakPolarHBondContact O-CD1 3.33Å; C412-I416 VanDerWaalsContact O-CG1 3.23Å; C412-I416 WeakPolarHBondContact O-CG1 3.48Å; C412-I416 PolarHBondContact O-N 3Å; C412-M441 HydrophobicContact CB-CE 4.19Å; C412-F444 HydrophobicContact CB-CD1 3.82Å; C412-F444 HydrophobicContact CB-CE1 4.04Å |
| 413 | E | 78 | Confident | 72.2 | Confident | 78 Ų | 78 | 82.8 Ų | 82.8 | 36% | 0.364 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -60 | -44 | 173.8 | -80.3 | -176.5 | -176.6 | 0 | 0 | 112.2 | K409 E410 I416 Q417 F444 V448 | K409-E413 PolarHBondContact O-N 3.27Å; E410-E413 PolarHBondContact O-N 3.31Å; E413-I416 PolarHBondContact O-N 3.28Å; E413-Q417 WeakPolarHBondContact O-CB 3.43Å; E413-Q417 VanDerWaalsContact O-CG 3.29Å; E413-Q417 WeakPolarHBondContact O-CG 3.3Å; E413-Q417 PolarHBondContact O-N 3.03Å; E413-F444 HydrophobicContact CG-CE1 3.82Å; E413-F444 HydrophobicContact CG-CZ 3.92Å; E413-V448 HydrophobicContact CG-CG1 4.17Å; E413-V448 HydrophobicContact CG-CG2 3.76Å |
| 414 | K | 79.8 | Confident | 72 | Confident | 139 Ų | 139 | 81.4 Ų | 81.4 | 60% | 0.604 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -61.1 | -48.2 | 176.8 | -78.4 | 177.4 | -177.6 | 173.4 | 0 | 111.8 | E410 K411 C412 I416 Q417 E418 | E410-K414 WeakPolarHBondContact O-CB 3.36Å; E410-K414 WeakPolarHBondContact O-CG 3.49Å; E410-K414 PolarHBondContact O-N 3.31Å; K411-K414 PolarHBondContact O-N 3.42Å; C412-K414 PolarHBondContact O-N 2.79Å; K414-I416 VanDerWaalsContact C-N 3.28Å; K414-I416 PolarHBondContact O-N 2.98Å; K414-Q417 PolarHBondContact O-N 3.1Å; K414-E418 VanDerWaalsContact O-CB 3.29Å; K414-E418 WeakPolarHBondContact O-CB 3.49Å; K414-E418 PolarHBondContact O-N 3.24Å |
| 415 | L | 77.5 | Confident | 71.7 | Confident | 46 Ų | 46 | 85.8 Ų | 85.8 | 24% | 0.241 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -61.6 | -36.5 | 178.7 | -72.8 | 172.8 | 0 | 0 | 0 | 112.2 | K411 C412 F419 P432 P434 I435 | K411-L415 WeakPolarHBondContact O-CG 3.37Å; K411-L415 PolarHBondContact O-N 2.98Å; C412-L415 PolarHBondContact O-N 2.77Å; L415-F419 WeakPolarHBondContact O-CB 3.5Å; L415-F419 PolarHBondContact O-N 2.85Å; L415-P432 HydrophobicContact CB-CG 4.49Å; L415-P434 HydrophobicContact CD1-CB 4.19Å; L415-I435 HydrophobicContact CB-CD1 3.95Å; L415-I435 HydrophobicContact CB-CG1 4.42Å; L415-I435 HydrophobicContact CD1-CG1 4.12Å |
| 416 | I | 76.3 | Confident | 70.8 | Confident | 6 Ų | 6 | 89.5 Ų | 89.5 | 3% | 0.031 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -74.2 | -40.8 | 178 | -67.8 | 163.5 | 0 | 0 | 0 | 111.3 | C412 E413 K414 E418 F419 L420 I435 V448 M449 L452 | C412-I416 WeakPolarHBondContact O-CD1 3.33Å; C412-I416 VanDerWaalsContact O-CG1 3.23Å; C412-I416 WeakPolarHBondContact O-CG1 3.48Å; C412-I416 PolarHBondContact O-N 3Å; E413-I416 PolarHBondContact O-N 3.28Å; K414-I416 VanDerWaalsContact C-N 3.28Å; K414-I416 PolarHBondContact O-N 2.98Å; I416-E418 VanDerWaalsContact C-N 3.33Å; I416-F419 PolarHBondContact O-N 2.85Å; I416-L420 HydrophobicContact CG2-CD1 3.87Å; I416-L420 HydrophobicContact CG2-CG 4.31Å; I416-L420 WeakPolarHBondContact O-CB 3.5Å; I416-L420 VanDerWaalsContact O-CG 3.23Å; I416-L420 WeakPolarHBondContact O-CG 3.47Å; I416-L420 PolarHBondContact O-N 2.71Å; I416-I435 HydrophobicContact CD1-CD1 4.42Å; I416-I435 HydrophobicContact CG1-CD1 3.75Å; I416-V448 HydrophobicContact CB-CG1 4.36Å; I416-V448 HydrophobicContact CD1-CB 4.01Å; I416-V448 HydrophobicContact CD1-CG1 4.2Å; I416-V448 HydrophobicContact CG2-CG1 3.96Å; I416-M449 HydrophobicContact CG2-CG 3.64Å; I416-L452 HydrophobicContact CG2-CD1 4.43Å |
| 417 | Q | 74.8 | Confident | 69.7 | Low | 87 Ų | 87 | 92.9 Ų | 92.9 | 41% | 0.407 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -64 | -42.1 | 174.6 | -74.8 | 178.7 | 19.8 | 0 | 0 | 111.2 | E413 K414 L420 N421 L452 | E413-Q417 WeakPolarHBondContact O-CB 3.43Å; E413-Q417 VanDerWaalsContact O-CG 3.29Å; E413-Q417 WeakPolarHBondContact O-CG 3.3Å; E413-Q417 PolarHBondContact O-N 3.03Å; K414-Q417 PolarHBondContact O-N 3.1Å; Q417-L420 PolarHBondContact O-N 3.33Å; Q417-N421 VanDerWaalsContact O-CB 3.25Å; Q417-N421 WeakPolarHBondContact O-CB 3.49Å; Q417-N421 PolarHBondContact O-N 3.39Å; Q417-N421 PolarHBondContact O-ND2 2.87Å; Q417-N421 VanDerWaalsContact O-ND2 3.13Å; Q417-L452 HydrophobicContact CG-CD1 4.32Å |
| 418 | E | 76.7 | Confident | 68.6 | Low | 129 Ų | 129 | 96.5 Ų | 96.5 | 60% | 0.603 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -58.8 | -51.9 | 173.2 | -171.9 | 172.7 | -173.3 | 0 | 0 | 110.1 | K414 I416 L420 N421 T422 | K414-E418 VanDerWaalsContact O-CB 3.29Å; K414-E418 WeakPolarHBondContact O-CB 3.49Å; K414-E418 PolarHBondContact O-N 3.24Å; I416-E418 VanDerWaalsContact C-N 3.33Å; E418-L420 VanDerWaalsContact C-N 3.34Å; E418-L420 PolarHBondContact O-N 2.78Å; E418-N421 PolarHBondContact O-N 2.75Å; E418-N421 VanDerWaalsContact O-N 3.08Å; E418-T422 PolarHBondContact O-N 2.82Å; E418-T422 PolarHBondContact O-OG1 2.81Å |
| 419 | F | 73.7 | Confident | 67.9 | Low | 46 Ų | 46 | 97.9 Ų | 97.9 | 20% | 0.202 | 50% | 0.504 | C | S | . | . | H | α-helix | trans | -55.1 | -42.3 | 175.9 | 176.1 | -98.3 | 0 | 0 | 0 | 113.9 | L415 I416 V429 C430 V431 | L415-F419 WeakPolarHBondContact O-CB 3.5Å; L415-F419 PolarHBondContact O-N 2.85Å; I416-F419 PolarHBondContact O-N 2.85Å; F419-V429 HydrophobicContact CD2-CG1 4.15Å; F419-V429 HydrophobicContact CE1-CG1 4.3Å; F419-V429 HydrophobicContact CE2-CG1 3.22Å; F419-V429 HydrophobicContact CZ-CG1 3.32Å; F419-C430 WeakPolarHBondContact CE2-O 3.17Å; F419-V431 HydrophobicContact CZ-CG2 4.4Å |
| 420 | L | 71.4 | Confident | 67.3 | Low | 71 Ų | 71 | 98.8 Ų | 98.8 | 37% | 0.372 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -75.2 | -26.2 | 178.5 | -70.3 | 172 | 0 | 0 | 0 | 113.3 | I416 Q417 E418 L452 | I416-L420 HydrophobicContact CG2-CD1 3.87Å; I416-L420 HydrophobicContact CG2-CG 4.31Å; I416-L420 WeakPolarHBondContact O-CB 3.5Å; I416-L420 VanDerWaalsContact O-CG 3.23Å; I416-L420 WeakPolarHBondContact O-CG 3.47Å; I416-L420 PolarHBondContact O-N 2.71Å; Q417-L420 PolarHBondContact O-N 3.33Å; E418-L420 VanDerWaalsContact C-N 3.34Å; E418-L420 PolarHBondContact O-N 2.78Å; L420-L452 HydrophobicContact CD1-CB 4.18Å; L420-L452 HydrophobicContact CD1-CD1 3.45Å; L420-L452 VanDerWaalsContact CD1-CD1 3.45Å; L420-L452 HydrophobicContact CD1-CG 4.46Å |
| 421 | N | 70 | Confident | 66.4 | Low | 128 Ų | 128 | 96.9 Ų | 96.9 | 68% | 0.684 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -84 | -21 | 178.1 | -71.5 | -22.7 | 0 | 0 | 0 | 112.3 | Q417 E418 P423 | Q417-N421 VanDerWaalsContact O-CB 3.25Å; Q417-N421 WeakPolarHBondContact O-CB 3.49Å; Q417-N421 PolarHBondContact O-N 3.39Å; Q417-N421 PolarHBondContact O-ND2 2.87Å; Q417-N421 VanDerWaalsContact O-ND2 3.13Å; E418-N421 PolarHBondContact O-N 2.75Å; E418-N421 VanDerWaalsContact O-N 3.08Å; N421-P423 VanDerWaalsContact O-CD 3.28Å; N421-P423 WeakPolarHBondContact O-CD 3.37Å |
| 422 | T | 66.9 | Low | 65.9 | Low | 87 Ų | 87 | 93 Ų | 93 | 53% | 0.534 | 50% | 0.502 | S | S | . | . | S | Bend | trans | -65.4 | 116 | 177.7 | -43.5 | 0 | 0 | 0 | 0 | 109.8 | E418 S424 | E418-T422 PolarHBondContact O-N 2.82Å; E418-T422 PolarHBondContact O-OG1 2.81Å; T422-S424 PolarHBondContact O-N 2.81Å |
| 423 | P | 57.8 | Low | 65.4 | Low | 103 Ų | 103 | 96.6 Ų | 96.6 | 67% | 0.669 | 53% | 0.531 | S | S | * | . | trans | -66 | 125.9 | -178.7 | 25.4 | -31.6 | 0 | 0 | 0 | 110.2 | N421 T425 | N421-P423 VanDerWaalsContact O-CD 3.28Å; N421-P423 WeakPolarHBondContact O-CD 3.37Å; P423-T425 PolarHBondContact O-N 3.49Å; P423-T425 PolarHBondContact O-OG1 3.27Å | ||
| 424 | S | 53.8 | Low | 64.9 | Low | 100 Ų | 100 | 96.2 Ų | 96.2 | 70% | 0.699 | 54% | 0.536 | S | S | * | . | trans | -61.9 | 90.2 | -176.6 | -38 | 0 | 0 | 0 | 0 | 111 | T422 N426 | T422-S424 PolarHBondContact O-N 2.81Å; S424-N426 PolarHBondContact O-N 2.91Å | ||
| 425 | T | 54.6 | Low | 64.1 | Low | 113 Ų | 113 | 90 Ų | 90 | 69% | 0.693 | 51% | 0.509 | S | S | * | . | trans | -94 | 69.5 | 176.4 | -43.7 | 0 | 0 | 0 | 0 | 108.5 | P423 E427 | P423-T425 PolarHBondContact O-N 3.49Å; P423-T425 PolarHBondContact O-OG1 3.27Å; T425-E427 PolarHBondContact O-N 2.82Å | ||
| 426 | N | 51.5 | Low | 63.5 | Low | 172 Ų | 172 | 92.6 Ų | 92.6 | 92% | 0.92 | 52% | 0.523 | S | S | * | . | S | Bend | trans | 45.5 | 2.3 | 168.6 | -65.6 | -20.6 | 0 | 0 | 0 | 120.3 | S424 | S424-N426 PolarHBondContact O-N 2.91Š|
| 427 | E | 52 | Low | 63.1 | Low | 168 Ų | 168 | 96.9 Ų | 96.9 | 79% | 0.785 | 55% | 0.553 | S | S | * | * | S | Bend | trans | -94.7 | 144.6 | 174.4 | -70.7 | -179.7 | 176.3 | 0 | 0 | 109 | T425 V429 | T425-E427 PolarHBondContact O-N 2.82Å; E427-V429 WeakPolarHBondContact O-CG2 3.09Å; E427-V429 PolarHBondContact O-N 3.03Å |
| 428 | E | 49.6 | Very low | 62.7 | Low | 194 Ų | 194 | 95.1 Ų | 95.1 | 91% | 0.907 | 55% | 0.546 | S | S | * | . | trans | -48.7 | 106.5 | 179.8 | -67.2 | -180 | 162.1 | 0 | 0 | 110.2 | C430 | E428-C430 PolarHBondContact O-N 3.24Š| ||
| 429 | V | 56.6 | Low | 62.2 | Low | 89 Ų | 89 | 90.6 Ų | 90.6 | 54% | 0.539 | 53% | 0.526 | S | S | . | . | trans | -69.6 | 98.7 | -175.9 | 175 | 0 | 0 | 0 | 0 | 108.2 | F419 E427 | F419-V429 HydrophobicContact CD2-CG1 4.15Å; F419-V429 HydrophobicContact CE1-CG1 4.3Å; F419-V429 HydrophobicContact CE2-CG1 3.22Å; F419-V429 HydrophobicContact CZ-CG1 3.32Å; E427-V429 WeakPolarHBondContact O-CG2 3.09Å; E427-V429 PolarHBondContact O-N 3.03Å | ||
| 430 | C | 60.5 | Low | 61.9 | Low | 105 Ų | 105 | 90 Ų | 90 | 71% | 0.709 | 52% | 0.523 | S | S | * | . | P | Polyproline II helix | trans | -87.9 | 129.7 | -176.2 | -167.7 | 0 | 0 | 0 | 0 | 111.2 | F419 E428 | F419-C430 WeakPolarHBondContact CE2-O 3.17Å; E428-C430 PolarHBondContact O-N 3.24Å |
| 431 | V | 61 | Low | 61.8 | Low | 61 Ų | 61 | 87.6 Ų | 87.6 | 37% | 0.37 | 51% | 0.511 | S | S | . | . | P | Polyproline II helix | trans | -64.3 | 133.5 | 175 | -173.9 | 0 | 0 | 0 | 0 | 108.8 | F419 A433 I435 | F419-V431 HydrophobicContact CZ-CG2 4.4Å; V431-A433 PolarHBondContact O-N 3.01Å; V431-A433 VanDerWaalsContact O-N 3.16Å; V431-I435 HydrophobicContact CG1-CB 4.37Å; V431-I435 HydrophobicContact CG1-CD1 4.43Å; V431-I435 HydrophobicContact CG1-CG2 4.48Å |
| 432 | P | 65.7 | Low | 61.8 | Low | 32 Ų | 32 | 83.5 Ų | 83.5 | 21% | 0.208 | 49% | 0.489 | C | S | . | . | P | Polyproline II helix | trans | -51.2 | 123.3 | 179.7 | -27.7 | 33 | 0 | 0 | 0 | 112.2 | L415 P434 I435 | L415-P432 HydrophobicContact CB-CG 4.49Å; P432-P434 VanDerWaalsContact C-N 3.25Å; P432-P434 WeakPolarHBondContact O-CD 3.31Å; P432-P434 VanDerWaalsContact O-N 3.1Å; P432-I435 HydrophobicContact CB-CD1 4.15Å; P432-I435 HydrophobicContact CB-CG1 4.32Å; P432-I435 HydrophobicContact CG-CD1 4.09Å; P432-I435 WeakPolarHBondContact O-CB 3.4Å; P432-I435 PolarHBondContact O-N 3.03Å |
| 433 | A | 66.1 | Low | 62.1 | Low | 75 Ų | 75 | 83.8 Ų | 83.8 | 62% | 0.62 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -49 | -35.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | V431 I435 L436 S437 | V431-A433 PolarHBondContact O-N 3.01Å; V431-A433 VanDerWaalsContact O-N 3.16Å; A433-I435 VanDerWaalsContact C-N 3.26Å; A433-I435 PolarHBondContact O-N 3.3Å; A433-L436 PolarHBondContact O-N 2.97Å; A433-S437 PolarHBondContact O-N 2.91Å |
| 434 | P | 67 | Low | 62.9 | Low | 70 Ų | 70 | 81 Ų | 81 | 46% | 0.455 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -60.5 | -32.3 | 175.7 | -24.3 | 34.4 | 0 | 0 | 0 | 113.7 | L415 P432 L436 S437 | L415-P434 HydrophobicContact CD1-CB 4.19Å; P432-P434 VanDerWaalsContact C-N 3.25Å; P432-P434 WeakPolarHBondContact O-CD 3.31Å; P432-P434 VanDerWaalsContact O-N 3.1Å; P434-L436 VanDerWaalsContact C-N 3.35Å; P434-S437 WeakPolarHBondContact O-CB 3.11Å; P434-S437 PolarHBondContact O-N 3.19Å; P434-S437 PolarHBondContact O-OG 3.36Å |
| 435 | I | 63.2 | Low | 63.9 | Low | 8 Ų | 8 | 76.4 Ų | 76.4 | 4% | 0.041 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -69.6 | -37.4 | 178.6 | -59.8 | 175.5 | 0 | 0 | 0 | 110.4 | L415 I416 V431 P432 A433 S437 M441 I442 | L415-I435 HydrophobicContact CB-CD1 3.95Å; L415-I435 HydrophobicContact CB-CG1 4.42Å; L415-I435 HydrophobicContact CD1-CG1 4.12Å; I416-I435 HydrophobicContact CD1-CD1 4.42Å; I416-I435 HydrophobicContact CG1-CD1 3.75Å; V431-I435 HydrophobicContact CG1-CB 4.37Å; V431-I435 HydrophobicContact CG1-CD1 4.43Å; V431-I435 HydrophobicContact CG1-CG2 4.48Å; P432-I435 HydrophobicContact CB-CD1 4.15Å; P432-I435 HydrophobicContact CB-CG1 4.32Å; P432-I435 HydrophobicContact CG-CD1 4.09Å; P432-I435 WeakPolarHBondContact O-CB 3.4Å; P432-I435 PolarHBondContact O-N 3.03Å; A433-I435 VanDerWaalsContact C-N 3.26Å; A433-I435 PolarHBondContact O-N 3.3Å; I435-S437 PolarHBondContact O-N 2.95Å; I435-M441 HydrophobicContact CG2-CB 4.43Å; I435-M441 WeakPolarHBondContact O-CB 3.46Å; I435-I442 VanDerWaalsContact O-CG1 3.22Å; I435-I442 WeakPolarHBondContact O-CG1 3.37Å |
| 436 | L | 64.1 | Low | 64.9 | Low | 101 Ų | 101 | 76.8 Ų | 76.8 | 53% | 0.529 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -73.3 | -12.2 | 178.7 | -66.7 | 171.5 | 0 | 0 | 0 | 113.4 | A433 P434 N438 I442 | A433-L436 PolarHBondContact O-N 2.97Å; P434-L436 VanDerWaalsContact C-N 3.35Å; L436-N438 VanDerWaalsContact C-N 3.29Å; L436-N438 PolarHBondContact O-N 3.1Å; L436-I442 HydrophobicContact CD2-CD1 4.26Å; L436-I442 HydrophobicContact CD2-CG1 4.42Å |
| 437 | S | 67.9 | Low | 66.1 | Low | 95 Ų | 95 | 72.2 Ų | 72.2 | 66% | 0.664 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.1 | -21.9 | -178.2 | 73.7 | 0 | 0 | 0 | 0 | 114 | A433 P434 I435 | A433-S437 PolarHBondContact O-N 2.91Å; P434-S437 WeakPolarHBondContact O-CB 3.11Å; P434-S437 PolarHBondContact O-N 3.19Å; P434-S437 PolarHBondContact O-OG 3.36Å; I435-S437 PolarHBondContact O-N 2.95Å |
| 438 | N | 65.8 | Low | 67.3 | Low | 50 Ų | 50 | 65 Ų | 65 | 27% | 0.267 | 37% | 0.374 | S | S | . | . | trans | -140.8 | 127.5 | -173.5 | -174.3 | -28.4 | 0 | 0 | 0 | 111 | L436 H440 M441 I442 | L436-N438 VanDerWaalsContact C-N 3.29Å; L436-N438 PolarHBondContact O-N 3.1Å; N438-H440 PolarHBondContact O-N 3.34Å; N438-H440 WeakPolarHBondContact OD1-CB 3.45Å; N438-H440 PolarHBondContact OD1-N 2.64Å; N438-H440 PolarHBondContact OD1-ND1 3.01Å; N438-H440 VanDerWaalsContact OD1-ND1 3.09Å; N438-M441 HydrophobicContact CB-CB 4.17Å; N438-M441 HydrophobicContact CB-CG 3.95Å; N438-M441 HydrophobicContact CB-SD 4.17Å; N438-M441 WeakPolarHBondContact O-CA 3.28Å; N438-M441 WeakPolarHBondContact O-CB 3.34Å; N438-M441 PolarHBondContact O-N 3.3Å; N438-I442 WeakPolarHBondContact O-CG1 3.38Å; N438-I442 PolarHBondContact O-N 3.21Å | ||
| 439 | I | 67 | Low | 68.5 | Low | 35 Ų | 35 | 58.3 Ų | 58.3 | 18% | 0.179 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -55 | -35.2 | 177.5 | -174.2 | 157.6 | 0 | 0 | 0 | 113.3 | F394 I442 N443 | F394-I439 WeakPolarHBondContact O-CD1 3.44Å; I439-I442 PolarHBondContact O-N 3Å; I439-N443 WeakPolarHBondContact O-CB 3.48Å; I439-N443 PolarHBondContact O-N 3.09Å; I439-N443 PolarHBondContact O-ND2 3.34Å |
| 440 | H | 67 | Low | 69.4 | Low | 32 Ų | 32 | 60.9 Ų | 60.9 | 15% | 0.148 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -67.2 | -38.7 | 175.9 | -58.4 | 96.5 | 0 | 0 | 0 | 111.4 | G397 E399 L404 N438 F444 | G397-H440 PolarHBondContact O-NE2 3.21Å; E399-H440 IonicContact OE2-CE1 3.49Å; E399-H440 PolarHBondContact OE2-CE1 2.79Å; E399-H440 IonicContact OE2-ND1 3.95Å; L404-H440 HydrophobicContact CD1-CB 3.75Å; L404-H440 WeakPolarHBondContact CD1-O 3.41Å; L404-H440 HydrophobicContact CD2-CB 4.34Å; L404-H440 HydrophobicContact CG-CB 3.73Å; N438-H440 PolarHBondContact O-N 3.34Å; N438-H440 WeakPolarHBondContact OD1-CB 3.45Å; N438-H440 PolarHBondContact OD1-N 2.64Å; N438-H440 PolarHBondContact OD1-ND1 3.01Å; N438-H440 VanDerWaalsContact OD1-ND1 3.09Å; H440-F444 WeakPolarHBondContact O-CB 3.35Å; H440-F444 PolarHBondContact O-N 2.95Å |
| 441 | M | 69.1 | Low | 70.1 | Confident | 22 Ų | 22 | 58.2 Ų | 58.2 | 11% | 0.108 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -68.3 | -38.1 | 175.3 | -67.7 | -176.4 | 73.7 | 0 | 0 | 111.2 | L404 C412 I435 N438 G445 | L404-M441 HydrophobicContact CD2-CG 3.71Å; C412-M441 HydrophobicContact CB-CE 4.19Å; I435-M441 HydrophobicContact CG2-CB 4.43Å; I435-M441 WeakPolarHBondContact O-CB 3.46Å; N438-M441 HydrophobicContact CB-CB 4.17Å; N438-M441 HydrophobicContact CB-CG 3.95Å; N438-M441 HydrophobicContact CB-SD 4.17Å; N438-M441 WeakPolarHBondContact O-CA 3.28Å; N438-M441 WeakPolarHBondContact O-CB 3.34Å; N438-M441 PolarHBondContact O-N 3.3Å; M441-G445 WeakPolarHBondContact O-CA 3.19Å; M441-G445 PolarHBondContact O-N 3.31Å |
| 442 | I | 70.8 | Confident | 70.6 | Confident | 42 Ų | 42 | 57.3 Ų | 57.3 | 22% | 0.215 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -60.9 | -54 | 173.4 | -62.8 | 175.2 | 0 | 0 | 0 | 110.2 | I435 L436 N438 I439 G445 F446 | I435-I442 VanDerWaalsContact O-CG1 3.22Å; I435-I442 WeakPolarHBondContact O-CG1 3.37Å; L436-I442 HydrophobicContact CD2-CD1 4.26Å; L436-I442 HydrophobicContact CD2-CG1 4.42Å; N438-I442 WeakPolarHBondContact O-CG1 3.38Å; N438-I442 PolarHBondContact O-N 3.21Å; I439-I442 PolarHBondContact O-N 3Å; I442-G445 PolarHBondContact O-N 3.08Å; I442-F446 HydrophobicContact CG2-CD2 3.64Å; I442-F446 HydrophobicContact CG2-CE2 3.48Å; I442-F446 VanDerWaalsContact CG2-CE2 3.48Å; I442-F446 WeakPolarHBondContact O-CD2 3.31Å; I442-F446 PolarHBondContact O-N 3.15Å |
| 443 | N | 72.6 | Confident | 70.8 | Confident | 93 Ų | 93 | 61.6 Ų | 61.6 | 50% | 0.497 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -63.3 | -45.3 | -178.4 | -77.8 | -24.7 | 0 | 0 | 0 | 112.4 | I439 G445 F446 S447 | I439-N443 WeakPolarHBondContact O-CB 3.48Å; I439-N443 PolarHBondContact O-N 3.09Å; I439-N443 PolarHBondContact O-ND2 3.34Å; N443-G445 VanDerWaalsContact C-N 3.28Å; N443-G445 PolarHBondContact O-N 3.38Å; N443-F446 PolarHBondContact O-N 2.83Å; N443-S447 PolarHBondContact O-N 3.5Å |
| 444 | F | 75 | Confident | 70.7 | Confident | 43 Ų | 43 | 65.1 Ų | 65.1 | 19% | 0.189 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -62.6 | -41.3 | 175.3 | -178.6 | -105.3 | 0 | 0 | 0 | 110.5 | L404 K409 C412 E413 H440 S447 V448 | L404-F444 HydrophobicContact CD1-CB 3.77Å; L404-F444 HydrophobicContact CD1-CG 4.16Å; K409-F444 HydrophobicContact CB-CE1 3.85Å; K409-F444 HydrophobicContact CB-CE2 4.37Å; K409-F444 HydrophobicContact CB-CZ 3.73Å; K409-F444 HydrophobicContact CD-CE2 4.14Å; K409-F444 HydrophobicContact CD-CZ 4.31Å; K409-F444 HydrophobicContact CG-CD1 4.49Å; K409-F444 HydrophobicContact CG-CD2 4.43Å; K409-F444 HydrophobicContact CG-CE1 4.14Å; K409-F444 HydrophobicContact CG-CE2 4.08Å; K409-F444 HydrophobicContact CG-CZ 3.92Å; K409-F444 WeakPolarHBondContact O-CE1 3.27Å; C412-F444 HydrophobicContact CB-CD1 3.82Å; C412-F444 HydrophobicContact CB-CE1 4.04Å; E413-F444 HydrophobicContact CG-CE1 3.82Å; E413-F444 HydrophobicContact CG-CZ 3.92Å; H440-F444 WeakPolarHBondContact O-CB 3.35Å; H440-F444 PolarHBondContact O-N 2.95Å; F444-S447 CarbonylContact O-C 3.53Å; F444-S447 WeakPolarHBondContact O-CA 3.29Å; F444-S447 WeakPolarHBondContact O-CB 2.95Å; F444-S447 PolarHBondContact O-N 2.99Å; F444-S447 VanDerWaalsContact O-N 3.09Å; F444-V448 HydrophobicContact CD1-CG2 4.06Å; F444-V448 HydrophobicContact CE1-CG2 3.64Å; F444-V448 HydrophobicContact CE2-CG2 4.19Å; F444-V448 HydrophobicContact CZ-CG2 3.7Å; F444-V448 WeakPolarHBondContact O-CG2 3.48Å; F444-V448 PolarHBondContact O-N 3.05Å |
| 445 | G | 74.9 | Confident | 70.6 | Confident | 4 Ų | 4 | 68.2 Ų | 68.2 | 4% | 0.041 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -65.6 | -41.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | M441 I442 N443 S447 V448 M449 | M441-G445 WeakPolarHBondContact O-CA 3.19Å; M441-G445 PolarHBondContact O-N 3.31Å; I442-G445 PolarHBondContact O-N 3.08Å; N443-G445 VanDerWaalsContact C-N 3.28Å; N443-G445 PolarHBondContact O-N 3.38Å; G445-S447 VanDerWaalsContact C-N 3.3Å; G445-S447 PolarHBondContact O-N 3.25Å; G445-V448 PolarHBondContact O-N 3.26Å; G445-M449 WeakPolarHBondContact O-CG 3.15Å; G445-M449 PolarHBondContact O-N 3.04Å |
| 446 | F | 74.7 | Confident | 70.7 | Confident | 121 Ų | 121 | 72.1 Ų | 72.1 | 53% | 0.531 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -59.4 | -41.6 | 169.1 | -82.9 | -65.4 | 0 | 0 | 0 | 111.7 | I442 N443 V448 M449 H450 | I442-F446 HydrophobicContact CG2-CD2 3.64Å; I442-F446 HydrophobicContact CG2-CE2 3.48Å; I442-F446 VanDerWaalsContact CG2-CE2 3.48Å; I442-F446 WeakPolarHBondContact O-CD2 3.31Å; I442-F446 PolarHBondContact O-N 3.15Å; N443-F446 PolarHBondContact O-N 2.83Å; F446-V448 PolarHBondContact O-N 3.18Å; F446-M449 HydrophobicContact CD1-CE 3.62Å; F446-M449 HydrophobicContact CE1-CE 3.82Å; F446-M449 HydrophobicContact CG-CE 4.44Å; F446-M449 PolarHBondContact O-N 3.13Å; F446-H450 WeakPolarHBondContact O-CB 3.46Å; F446-H450 PolarHBondContact O-N 3.29Å |
| 447 | S | 76.7 | Confident | 70.5 | Confident | 77 Ų | 77 | 71.3 Ų | 71.3 | 54% | 0.538 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -63.7 | -40.7 | 177.6 | -165.5 | 0 | 0 | 0 | 0 | 112.5 | N443 F444 G445 H450 A451 | N443-S447 PolarHBondContact O-N 3.5Å; F444-S447 CarbonylContact O-C 3.53Å; F444-S447 WeakPolarHBondContact O-CA 3.29Å; F444-S447 WeakPolarHBondContact O-CB 2.95Å; F444-S447 PolarHBondContact O-N 2.99Å; F444-S447 VanDerWaalsContact O-N 3.09Å; G445-S447 VanDerWaalsContact C-N 3.3Å; G445-S447 PolarHBondContact O-N 3.25Å; S447-H450 PolarHBondContact O-N 2.78Å; S447-A451 WeakPolarHBondContact O-CB 3.34Å; S447-A451 PolarHBondContact O-N 3.02Å |
| 448 | V | 78 | Confident | 70 | Confident | 15 Ų | 15 | 72.1 Ų | 72.1 | 9% | 0.091 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -66 | -47.6 | 175.8 | 172.9 | 0 | 0 | 0 | 0 | 110.4 | E413 I416 F444 G445 F446 H450 A451 L452 | E413-V448 HydrophobicContact CG-CG1 4.17Å; E413-V448 HydrophobicContact CG-CG2 3.76Å; I416-V448 HydrophobicContact CB-CG1 4.36Å; I416-V448 HydrophobicContact CD1-CB 4.01Å; I416-V448 HydrophobicContact CD1-CG1 4.2Å; I416-V448 HydrophobicContact CG2-CG1 3.96Å; F444-V448 HydrophobicContact CD1-CG2 4.06Å; F444-V448 HydrophobicContact CE1-CG2 3.64Å; F444-V448 HydrophobicContact CE2-CG2 4.19Å; F444-V448 HydrophobicContact CZ-CG2 3.7Å; F444-V448 WeakPolarHBondContact O-CG2 3.48Å; F444-V448 PolarHBondContact O-N 3.05Å; G445-V448 PolarHBondContact O-N 3.26Å; F446-V448 PolarHBondContact O-N 3.18Å; V448-H450 VanDerWaalsContact C-N 3.32Å; V448-H450 PolarHBondContact O-N 3.46Å; V448-A451 PolarHBondContact O-N 3.25Å; V448-L452 HydrophobicContact CG1-CD1 3.88Å; V448-L452 HydrophobicContact CG1-CG 4.35Å; V448-L452 WeakPolarHBondContact O-CB 3.3Å; V448-L452 WeakPolarHBondContact O-CG 3.45Å; V448-L452 PolarHBondContact O-N 3.05Å |
| 449 | M | 75.2 | Confident | 69.7 | Low | 55 Ų | 55 | 78.2 Ų | 78.2 | 27% | 0.271 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -58 | -45.2 | 175 | -75.6 | -159.1 | -60.1 | 0 | 0 | 111.4 | I416 G445 F446 A451 L452 H453 | I416-M449 HydrophobicContact CG2-CG 3.64Å; G445-M449 WeakPolarHBondContact O-CG 3.15Å; G445-M449 PolarHBondContact O-N 3.04Å; F446-M449 HydrophobicContact CD1-CE 3.62Å; F446-M449 HydrophobicContact CE1-CE 3.82Å; F446-M449 HydrophobicContact CG-CE 4.44Å; F446-M449 PolarHBondContact O-N 3.13Å; M449-A451 VanDerWaalsContact C-N 3.33Å; M449-A451 PolarHBondContact O-N 3.19Å; M449-L452 PolarHBondContact O-N 3.47Å; M449-H453 WeakPolarHBondContact O-CB 3.22Å; M449-H453 PolarHBondContact O-N 3.25Å |
| 450 | H | 74.4 | Confident | 69 | Low | 143 Ų | 143 | 83.3 Ų | 83.3 | 66% | 0.662 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -60.8 | -42.5 | 177.6 | -127.4 | -80 | 0 | 0 | 0 | 111.7 | F446 S447 V448 W454 | F446-H450 WeakPolarHBondContact O-CB 3.46Å; F446-H450 PolarHBondContact O-N 3.29Å; S447-H450 PolarHBondContact O-N 2.78Å; V448-H450 VanDerWaalsContact C-N 3.32Å; V448-H450 PolarHBondContact O-N 3.46Å; H450-W454 WeakPolarHBondContact O-CB 3.29Å; H450-W454 PolarHBondContact O-N 3.08Å |
| 451 | A | 75.6 | Confident | 68.4 | Low | 48 Ų | 48 | 87.7 Ų | 87.7 | 40% | 0.397 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -66.4 | -39.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | S447 V448 M449 K455 | S447-A451 WeakPolarHBondContact O-CB 3.34Å; S447-A451 PolarHBondContact O-N 3.02Å; V448-A451 PolarHBondContact O-N 3.25Å; M449-A451 VanDerWaalsContact C-N 3.33Å; M449-A451 PolarHBondContact O-N 3.19Å; A451-K455 WeakPolarHBondContact O-CB 3.35Å; A451-K455 WeakPolarHBondContact O-CG 3.35Å; A451-K455 PolarHBondContact O-N 3.06Å |
| 452 | L | 71.7 | Confident | 67.6 | Low | 43 Ų | 43 | 90.4 Ų | 90.4 | 23% | 0.225 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -71.4 | -45.3 | 177.9 | -69.6 | 175.6 | 0 | 0 | 0 | 111.8 | I416 Q417 L420 V448 M449 W454 K455 N456 | I416-L452 HydrophobicContact CG2-CD1 4.43Å; Q417-L452 HydrophobicContact CG-CD1 4.32Å; L420-L452 HydrophobicContact CD1-CB 4.18Å; L420-L452 HydrophobicContact CD1-CD1 3.45Å; L420-L452 VanDerWaalsContact CD1-CD1 3.45Å; L420-L452 HydrophobicContact CD1-CG 4.46Å; V448-L452 HydrophobicContact CG1-CD1 3.88Å; V448-L452 HydrophobicContact CG1-CG 4.35Å; V448-L452 WeakPolarHBondContact O-CB 3.3Å; V448-L452 WeakPolarHBondContact O-CG 3.45Å; V448-L452 PolarHBondContact O-N 3.05Å; M449-L452 PolarHBondContact O-N 3.47Å; L452-W454 VanDerWaalsContact C-N 3.33Å; L452-W454 PolarHBondContact O-N 3.35Å; L452-K455 PolarHBondContact O-N 2.85Å; L452-N456 PolarHBondContact O-N 3.49Å |
| 453 | H | 68.9 | Low | 66.7 | Low | 121 Ų | 121 | 95.3 Ų | 95.3 | 56% | 0.56 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -59.1 | -44.1 | 172.4 | -102.9 | -168.4 | 0 | 0 | 0 | 111.5 | M449 K455 N456 I457 | M449-H453 WeakPolarHBondContact O-CB 3.22Å; M449-H453 PolarHBondContact O-N 3.25Å; H453-K455 PolarHBondContact O-N 3.38Å; H453-N456 PolarHBondContact O-N 3.03Å; H453-I457 VanDerWaalsContact O-CG1 3.32Å; H453-I457 WeakPolarHBondContact O-CG1 3.45Å; H453-I457 PolarHBondContact O-N 2.96Å |
| 454 | W | 64.6 | Low | 65.6 | Low | 150 Ų | 150 | 98.1 Ų | 98.1 | 57% | 0.568 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -63.4 | -39.8 | 177 | -172.8 | -109.5 | 0 | 0 | 0 | 112.7 | H450 L452 I457 K458 | H450-W454 WeakPolarHBondContact O-CB 3.29Å; H450-W454 PolarHBondContact O-N 3.08Å; L452-W454 VanDerWaalsContact C-N 3.33Å; L452-W454 PolarHBondContact O-N 3.35Å; W454-I457 PolarHBondContact O-N 3.44Å; W454-K458 VanDerWaalsContact NE1-CE 3.27Å; W454-K458 WeakPolarHBondContact O-CB 3.37Å; W454-K458 PolarHBondContact O-N 3.41Å |
| 455 | K | 65.7 | Low | 64.3 | Low | 135 Ų | 135 | 100.1 Ų | 100.1 | 59% | 0.587 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -63.2 | -40.2 | 172.8 | -80.1 | 176.5 | -179.4 | 176.7 | 0 | 112 | A451 L452 H453 K458 R459 | A451-K455 WeakPolarHBondContact O-CB 3.35Å; A451-K455 WeakPolarHBondContact O-CG 3.35Å; A451-K455 PolarHBondContact O-N 3.06Å; L452-K455 PolarHBondContact O-N 2.85Å; H453-K455 PolarHBondContact O-N 3.38Å; K455-K458 PolarHBondContact O-N 2.92Å; K455-R459 WeakPolarHBondContact O-CB 3.36Å; K455-R459 PolarHBondContact O-N 3.07Å |
| 456 | N | 64.2 | Low | 62.9 | Low | 90 Ų | 90 | 105.1 Ų | 105.1 | 48% | 0.481 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -67.6 | -41.9 | 176.9 | -81.2 | -16.5 | 0 | 0 | 0 | 111.9 | L452 H453 R459 F460 | L452-N456 PolarHBondContact O-N 3.49Å; H453-N456 PolarHBondContact O-N 3.03Å; N456-R459 PolarHBondContact O-N 3.16Å; N456-F460 WeakPolarHBondContact O-CB 3.26Å; N456-F460 PolarHBondContact O-N 3.37Å |
| 457 | I | 61.3 | Low | 61.2 | Low | 83 Ų | 83 | 102.6 Ų | 102.6 | 43% | 0.426 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -60.3 | -48.8 | 173.5 | -66.8 | 165.2 | 0 | 0 | 0 | 110.2 | H453 W454 R459 F460 E461 | H453-I457 VanDerWaalsContact O-CG1 3.32Å; H453-I457 WeakPolarHBondContact O-CG1 3.45Å; H453-I457 PolarHBondContact O-N 2.96Å; W454-I457 PolarHBondContact O-N 3.44Å; I457-R459 VanDerWaalsContact C-N 3.35Å; I457-R459 PolarHBondContact O-N 2.97Å; I457-F460 CarbonylContact O-C 3.57Å; I457-F460 WeakPolarHBondContact O-CA 3.36Å; I457-F460 WeakPolarHBondContact O-CB 3.38Å; I457-F460 PolarHBondContact O-N 2.89Å; I457-F460 VanDerWaalsContact O-N 3.08Å; I457-E461 PolarHBondContact O-N 3.04Å |
| 458 | K | 56.8 | Low | 59.5 | Low | 112 Ų | 112 | 107.7 Ų | 107.7 | 49% | 0.487 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -62.9 | -36.6 | 177.2 | -79.5 | -169.1 | 169.5 | -174.4 | 0 | 113.4 | W454 K455 F460 E461 S462 | W454-K458 VanDerWaalsContact NE1-CE 3.27Å; W454-K458 WeakPolarHBondContact O-CB 3.37Å; W454-K458 PolarHBondContact O-N 3.41Å; K455-K458 PolarHBondContact O-N 2.92Å; K458-F460 VanDerWaalsContact C-N 3.35Å; K458-E461 PolarHBondContact O-N 3.05Å; K458-S462 VanDerWaalsContact O-CB 3.29Å; K458-S462 WeakPolarHBondContact O-CB 3.22Å; K458-S462 PolarHBondContact O-N 3.08Å |
| 459 | R | 58.5 | Low | 57.4 | Low | 179 Ų | 179 | 116.5 Ų | 116.5 | 68% | 0.675 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -63.8 | -42.1 | 171.4 | -89.3 | -176.6 | 177.4 | 173.6 | -1.3 | 111.1 | K455 N456 I457 S462 M463 | K455-R459 WeakPolarHBondContact O-CB 3.36Å; K455-R459 PolarHBondContact O-N 3.07Å; N456-R459 PolarHBondContact O-N 3.16Å; I457-R459 VanDerWaalsContact C-N 3.35Å; I457-R459 PolarHBondContact O-N 2.97Å; R459-S462 PolarHBondContact O-N 3.12Å; R459-M463 WeakPolarHBondContact O-CB 3.45Å; R459-M463 WeakPolarHBondContact O-CG 3.47Å; R459-M463 PolarHBondContact O-N 3.27Å |
| 460 | F | 53.2 | Low | 55.7 | Low | 141 Ų | 141 | 119.3 Ų | 119.3 | 62% | 0.618 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -64.6 | -39.9 | 176.9 | -127.4 | -89.3 | 0 | 0 | 0 | 111.9 | N456 I457 K458 K464 | N456-F460 WeakPolarHBondContact O-CB 3.26Å; N456-F460 PolarHBondContact O-N 3.37Å; I457-F460 CarbonylContact O-C 3.57Å; I457-F460 WeakPolarHBondContact O-CA 3.36Å; I457-F460 WeakPolarHBondContact O-CB 3.38Å; I457-F460 PolarHBondContact O-N 2.89Å; I457-F460 VanDerWaalsContact O-N 3.08Å; K458-F460 VanDerWaalsContact C-N 3.35Å; F460-K464 WeakPolarHBondContact O-CG 3.3Å; F460-K464 PolarHBondContact O-N 2.83Å |
| 461 | E | 53.8 | Low | 53.9 | Low | 124 Ų | 124 | 119 Ų | 119 | 58% | 0.579 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -66.5 | -43.8 | 173.1 | -73.3 | -177.2 | 164.9 | 0 | 0 | 112 | I457 K458 M463 K464 A465 | I457-E461 PolarHBondContact O-N 3.04Å; K458-E461 PolarHBondContact O-N 3.05Å; E461-M463 PolarHBondContact O-N 3.23Å; E461-K464 CarbonylContact O-C 3.43Å; E461-K464 PolarHBondContact O-N 3.44Å; E461-A465 PolarHBondContact O-N 2.73Å |
| 462 | S | 53.1 | Low | 52 | Low | 79 Ų | 79 | 122 Ų | 122 | 55% | 0.552 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -65.2 | -37.2 | 176.6 | -179.6 | 0 | 0 | 0 | 0 | 112.5 | K458 R459 A465 S466 | K458-S462 VanDerWaalsContact O-CB 3.29Å; K458-S462 WeakPolarHBondContact O-CB 3.22Å; K458-S462 PolarHBondContact O-N 3.08Å; R459-S462 PolarHBondContact O-N 3.12Å; S462-A465 PolarHBondContact O-N 3.5Å; S462-S466 PolarHBondContact O-N 2.82Å; S462-S466 VanDerWaalsContact O-N 3.17Å |
| 463 | M | 52.4 | Low | 50.4 | Low | 146 Ų | 146 | 124.9 Ų | 124.9 | 72% | 0.719 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -67.7 | -37.5 | 174.2 | -81.1 | -176.1 | 150 | 0 | 0 | 111.2 | R459 E461 A465 S466 A467 | R459-M463 WeakPolarHBondContact O-CB 3.45Å; R459-M463 WeakPolarHBondContact O-CG 3.47Å; R459-M463 PolarHBondContact O-N 3.27Å; E461-M463 PolarHBondContact O-N 3.23Å; M463-A465 VanDerWaalsContact C-N 3.34Å; M463-S466 PolarHBondContact O-N 2.96Å; M463-A467 PolarHBondContact O-N 2.77Å |
| 464 | K | 48.6 | Very low | 48.9 | Very low | 151 Ų | 151 | 124 Ų | 124 | 66% | 0.657 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -66.1 | -35.1 | 170.2 | -78.4 | -175.5 | 176.9 | -178.9 | 0 | 112.5 | F460 E461 S466 A467 | F460-K464 WeakPolarHBondContact O-CG 3.3Å; F460-K464 PolarHBondContact O-N 2.83Å; E461-K464 CarbonylContact O-C 3.43Å; E461-K464 PolarHBondContact O-N 3.44Å; K464-S466 VanDerWaalsContact C-N 3.31Å; K464-S466 PolarHBondContact O-N 2.76Å; K464-A467 PolarHBondContact O-N 2.9Å |
| 465 | A | 48.4 | Very low | 47.7 | Very low | 86 Ų | 86 | 124.3 Ų | 124.3 | 71% | 0.711 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -68.6 | -26.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | E461 S462 M463 | E461-A465 PolarHBondContact O-N 2.73Å; S462-A465 PolarHBondContact O-N 3.5Å; M463-A465 VanDerWaalsContact C-N 3.34Å |
| 466 | S | 45.2 | Very low | 46.7 | Very low | 108 Ų | 108 | 123.1 Ų | 123.1 | 76% | 0.755 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -83.1 | -17.3 | 172.5 | -174.2 | 0 | 0 | 0 | 0 | 113.3 | S462 M463 K464 K468 | S462-S466 PolarHBondContact O-N 2.82Å; S462-S466 VanDerWaalsContact O-N 3.17Å; M463-S466 PolarHBondContact O-N 2.96Å; K464-S466 VanDerWaalsContact C-N 3.31Å; K464-S466 PolarHBondContact O-N 2.76Å; S466-K468 PolarHBondContact O-N 2.92Å |
| 467 | A | 38.6 | Very low | 45.8 | Very low | 68 Ų | 68 | 125.1 Ų | 125.1 | 56% | 0.562 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -80.3 | 101.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | M463 K464 | M463-A467 PolarHBondContact O-N 2.77Å; K464-A467 PolarHBondContact O-N 2.9Å |
| 468 | K | 40.5 | Very low | 45.3 | Very low | 185 Ų | 185 | 125.1 Ų | 125.1 | 80% | 0.804 | 69% | 0.685 | S | S | * | * | trans | 23.4 | 116.9 | 158.8 | -70.6 | 178.9 | 176.5 | 178.1 | 0 | 115.3 | S466 V470 | S466-K468 PolarHBondContact O-N 2.92Å; K468-V470 VanDerWaalsContact C-N 3.26Å; K468-V470 PolarHBondContact O-N 3.03Å | ||
| 469 | Q | 34.9 | Very low | 45.8 | Very low | 200 Ų | 200 | 124.1 Ų | 124.1 | 94% | 0.935 | 69% | 0.688 | S | S | * | * | trans | -23.9 | 83.8 | 161.4 | -77 | 174.4 | -27.3 | 0 | 0 | 113 | ||||
| 470 | V | 38.6 | Very low | 46.5 | Very low | 113 Ų | 113 | 124.3 Ų | 124.3 | 69% | 0.685 | 69% | 0.694 | S | S | * | * | trans | -95.9 | 111.7 | 157.7 | 178.6 | 0 | 0 | 0 | 0 | 102.2 | K468 V472 | K468-V470 VanDerWaalsContact C-N 3.26Å; K468-V470 PolarHBondContact O-N 3.03Å; V470-V472 HydrophobicContact CB-CG2 4.17Å; V470-V472 HydrophobicContact CG1-CG2 3.72Å; V470-V472 PolarHBondContact O-N 3.37Å | ||
| 471 | V | 36.7 | Very low | 47.5 | Very low | 137 Ų | 137 | 124.3 Ų | 124.3 | 83% | 0.83 | 70% | 0.696 | S | S | * | * | trans | -58.7 | 80.5 | 162.2 | 178.4 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 472 | V | 35.6 | Very low | 48.3 | Very low | 110 Ų | 110 | 119.9 Ų | 119.9 | 67% | 0.667 | 68% | 0.68 | S | S | * | * | trans | -76.5 | 120.1 | 167.2 | -178.3 | 0 | 0 | 0 | 0 | 104.2 | V470 S474 | V470-V472 HydrophobicContact CB-CG2 4.17Å; V470-V472 HydrophobicContact CG1-CG2 3.72Å; V470-V472 PolarHBondContact O-N 3.37Å; V472-S474 PolarHBondContact O-N 3.38Å | ||
| 473 | P | 39 | Very low | 49.5 | Very low | 104 Ų | 104 | 119.2 Ų | 119.2 | 68% | 0.675 | 67% | 0.671 | S | S | * | * | trans | -51.6 | 135.6 | 178.4 | -19.7 | 29.5 | 0 | 0 | 0 | 108.4 | L475 | P473-L475 VanDerWaalsContact C-N 3.35Å; P473-L475 PolarHBondContact O-N 3.37Å | ||
| 474 | S | 36.2 | Very low | 50.8 | Low | 104 Ų | 104 | 117.9 Ų | 117.9 | 73% | 0.727 | 66% | 0.663 | S | S | * | * | trans | -44 | 101.5 | 168.6 | 49.2 | 0 | 0 | 0 | 0 | 109 | V472 | V472-S474 PolarHBondContact O-N 3.38Š| ||
| 475 | L | 40.2 | Very low | 52 | Low | 156 Ų | 156 | 115.6 Ų | 115.6 | 82% | 0.817 | 66% | 0.657 | S | S | * | * | trans | -59.5 | 128.6 | 173.6 | -172.1 | 72 | 0 | 0 | 0 | 105.7 | P473 N477 | P473-L475 VanDerWaalsContact C-N 3.35Å; P473-L475 PolarHBondContact O-N 3.37Å; L475-N477 PolarHBondContact O-N 3.11Å | ||
| 476 | P | 44.5 | Very low | 53.6 | Low | 110 Ų | 110 | 119.5 Ų | 119.5 | 71% | 0.714 | 65% | 0.654 | S | S | * | * | trans | -52.1 | 117.8 | -161.1 | 11.3 | -25 | 0 | 0 | 0 | 110.6 | T478 | P476-T478 PolarHBondContact O-N 3.36Š| ||
| 477 | N | 46.6 | Very low | 55.4 | Low | 131 Ų | 131 | 121 Ų | 121 | 70% | 0.701 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -34.8 | 130.9 | 157.7 | -67.4 | -34.7 | 0 | 0 | 0 | 108.7 | L475 | L475-N477 PolarHBondContact O-N 3.11Š|
| 478 | T | 50.8 | Low | 57.7 | Low | 83 Ų | 83 | 121.7 Ų | 121.7 | 51% | 0.509 | 64% | 0.642 | S | S | . | * | trans | 58.6 | 74.6 | 150.2 | 62 | 0 | 0 | 0 | 0 | 114.2 | P476 K480 N483 | P476-T478 PolarHBondContact O-N 3.36Å; T478-K480 PolarHBondContact O-N 3.31Å; T478-N483 VanDerWaalsContact CB-ND2 3.25Å; T478-N483 WeakPolarHBondContact CB-ND2 3.28Å; T478-N483 VanDerWaalsContact CG2-ND2 3.29Å; T478-N483 WeakPolarHBondContact CG2-ND2 3.09Å; T478-N483 WeakPolarHBondContact CG2-OD1 3.38Å | ||
| 479 | T | 66.6 | Low | 59.4 | Low | 91 Ų | 91 | 118.1 Ų | 118.1 | 56% | 0.558 | 63% | 0.631 | S | S | * | * | trans | -55.1 | 132.6 | 150.2 | 26.7 | 0 | 0 | 0 | 0 | 107.5 | E481 A482 N483 | T479-E481 PolarHBondContact O-N 3.45Å; T479-E481 VanDerWaalsContact O-N 3.09Å; T479-A482 PolarHBondContact O-N 2.9Å; T479-A482 WeakPolarHBondContact OG1-CB 3.32Å; T479-N483 PolarHBondContact O-N 2.83Å; T479-N483 VanDerWaalsContact O-N 3.14Å | ||
| 480 | K | 73 | Confident | 61.7 | Low | 184 Ų | 184 | 111.4 Ų | 111.4 | 80% | 0.8 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -48.6 | -37.6 | 175.2 | -84 | -176.7 | 172.9 | -179.4 | 0 | 111.2 | T478 N483 Q484 | T478-K480 PolarHBondContact O-N 3.31Å; K480-N483 PolarHBondContact O-N 2.81Å; K480-Q484 WeakPolarHBondContact O-CB 3.39Å; K480-Q484 WeakPolarHBondContact O-CG 3.49Å; K480-Q484 PolarHBondContact O-N 3.29Å |
| 481 | E | 74.2 | Confident | 63.9 | Low | 140 Ų | 140 | 111.7 Ų | 111.7 | 65% | 0.654 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -62.6 | -45.4 | 174.9 | -69.1 | -178.9 | 160.5 | 0 | 0 | 113.4 | T479 N483 Q484 L485 | T479-E481 PolarHBondContact O-N 3.45Å; T479-E481 VanDerWaalsContact O-N 3.09Å; E481-N483 VanDerWaalsContact C-N 3.3Å; E481-N483 PolarHBondContact O-N 2.89Å; E481-Q484 PolarHBondContact O-N 2.92Å; E481-L485 WeakPolarHBondContact O-CB 3.11Å; E481-L485 WeakPolarHBondContact O-CG 3.25Å; E481-L485 PolarHBondContact O-N 2.99Å |
| 482 | A | 69.9 | Low | 66.2 | Low | 31 Ų | 31 | 112.3 Ų | 112.3 | 26% | 0.256 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -65.3 | -36 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | T479 R486 | T479-A482 PolarHBondContact O-N 2.9Å; T479-A482 WeakPolarHBondContact OG1-CB 3.32Å; A482-R486 WeakPolarHBondContact O-CG 3.12Å; A482-R486 PolarHBondContact O-N 3.26Å; A482-R486 VanDerWaalsContact O-N 3.11Å |
| 483 | N | 78.2 | Confident | 68.4 | Low | 66 Ų | 66 | 112 Ų | 112 | 35% | 0.353 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -70.6 | -42.9 | 173.7 | -76.2 | -2.3 | 0 | 0 | 0 | 112 | T478 T479 K480 E481 L485 R486 E487 | T478-N483 VanDerWaalsContact CB-ND2 3.25Å; T478-N483 WeakPolarHBondContact CB-ND2 3.28Å; T478-N483 VanDerWaalsContact CG2-ND2 3.29Å; T478-N483 WeakPolarHBondContact CG2-ND2 3.09Å; T478-N483 WeakPolarHBondContact CG2-OD1 3.38Å; T479-N483 PolarHBondContact O-N 2.83Å; T479-N483 VanDerWaalsContact O-N 3.14Å; K480-N483 PolarHBondContact O-N 2.81Å; E481-N483 VanDerWaalsContact C-N 3.3Å; E481-N483 PolarHBondContact O-N 2.89Å; N483-L485 VanDerWaalsContact C-N 3.34Å; N483-L485 PolarHBondContact O-N 2.86Å; N483-R486 PolarHBondContact O-N 2.91Å; N483-E487 WeakPolarHBondContact O-CB 3.33Å; N483-E487 PolarHBondContact O-N 3.42Å |
| 484 | Q | 80.4 | Confident | 70.5 | Confident | 117 Ų | 117 | 112.7 Ų | 112.7 | 55% | 0.547 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -59.9 | -43.2 | 173.9 | -84.9 | 179.5 | -25.8 | 0 | 0 | 111.9 | K480 E481 R486 E487 I488 | K480-Q484 WeakPolarHBondContact O-CB 3.39Å; K480-Q484 WeakPolarHBondContact O-CG 3.49Å; K480-Q484 PolarHBondContact O-N 3.29Å; E481-Q484 PolarHBondContact O-N 2.92Å; Q484-R486 PolarHBondContact O-N 2.96Å; Q484-E487 PolarHBondContact O-N 3.43Å; Q484-I488 WeakPolarHBondContact O-CB 3.49Å; Q484-I488 VanDerWaalsContact O-CG1 3.23Å; Q484-I488 WeakPolarHBondContact O-CG1 3.46Å; Q484-I488 PolarHBondContact O-N 2.92Å |
| 485 | L | 73.5 | Confident | 72.7 | Confident | 104 Ų | 104 | 111.8 Ų | 111.8 | 55% | 0.545 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -63.5 | -40.2 | 177.5 | -79.9 | 161.1 | 0 | 0 | 0 | 111.9 | E481 N483 I488 L489 | E481-L485 WeakPolarHBondContact O-CB 3.11Å; E481-L485 WeakPolarHBondContact O-CG 3.25Å; E481-L485 PolarHBondContact O-N 2.99Å; N483-L485 VanDerWaalsContact C-N 3.34Å; N483-L485 PolarHBondContact O-N 2.86Å; L485-I488 PolarHBondContact O-N 3.4Å; L485-L489 WeakPolarHBondContact O-CB 3.42Å; L485-L489 VanDerWaalsContact O-CG 3.32Å; L485-L489 WeakPolarHBondContact O-CG 3.43Å; L485-L489 PolarHBondContact O-N 3.45Å |
| 486 | R | 82.1 | Confident | 74.4 | Confident | 168 Ų | 168 | 109.1 Ų | 109.1 | 63% | 0.634 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -65.4 | -38.5 | 173.8 | -73.9 | 178.5 | -165.1 | 159.2 | 2.6 | 112.3 | A482 N483 Q484 L489 A490 | A482-R486 WeakPolarHBondContact O-CG 3.12Å; A482-R486 PolarHBondContact O-N 3.26Å; A482-R486 VanDerWaalsContact O-N 3.11Å; N483-R486 PolarHBondContact O-N 2.91Å; Q484-R486 PolarHBondContact O-N 2.96Å; R486-L489 PolarHBondContact O-N 3.48Å; R486-A490 WeakPolarHBondContact O-CB 3.46Å; R486-A490 PolarHBondContact O-N 2.87Å |
| 487 | E | 83.1 | Confident | 76 | Confident | 139 Ų | 139 | 110.4 Ų | 110.4 | 65% | 0.65 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -66.1 | -43.3 | 176.5 | -169.8 | 170.6 | -164.7 | 0 | 0 | 111.3 | N483 Q484 A490 Q491 | N483-E487 WeakPolarHBondContact O-CB 3.33Å; N483-E487 PolarHBondContact O-N 3.42Å; Q484-E487 PolarHBondContact O-N 3.43Å; E487-A490 PolarHBondContact O-N 2.87Å; E487-Q491 WeakPolarHBondContact O-CB 3.46Å; E487-Q491 PolarHBondContact O-N 2.9Å |
| 488 | I | 86.2 | Confident | 77.5 | Confident | 83 Ų | 83 | 108.8 Ų | 108.8 | 43% | 0.426 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -62.6 | -44.3 | 174.6 | -67.5 | 164.1 | 0 | 0 | 0 | 111 | Q484 L485 Q491 R492 | Q484-I488 WeakPolarHBondContact O-CB 3.49Å; Q484-I488 VanDerWaalsContact O-CG1 3.23Å; Q484-I488 WeakPolarHBondContact O-CG1 3.46Å; Q484-I488 PolarHBondContact O-N 2.92Å; L485-I488 PolarHBondContact O-N 3.4Å; I488-Q491 PolarHBondContact O-N 2.9Å; I488-R492 HydrophobicContact CG2-CG 4.47Å; I488-R492 VanDerWaalsContact O-CG 3.28Å; I488-R492 WeakPolarHBondContact O-CG 3.47Å; I488-R492 PolarHBondContact O-N 3.42Å |
| 489 | L | 77.8 | Confident | 78.6 | Confident | 109 Ų | 109 | 111.5 Ų | 111.5 | 57% | 0.571 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -62.3 | -46.5 | 176.8 | -77.2 | 168.5 | 0 | 0 | 0 | 111.3 | L485 R486 Q491 R492 D493 | L485-L489 WeakPolarHBondContact O-CB 3.42Å; L485-L489 VanDerWaalsContact O-CG 3.32Å; L485-L489 WeakPolarHBondContact O-CG 3.43Å; L485-L489 PolarHBondContact O-N 3.45Å; R486-L489 PolarHBondContact O-N 3.48Å; L489-Q491 VanDerWaalsContact C-N 3.3Å; L489-Q491 PolarHBondContact O-N 3.15Å; L489-R492 PolarHBondContact O-N 3.3Å; L489-D493 PolarHBondContact O-N 3.35Å |
| 490 | A | 82.9 | Confident | 79 | Confident | 60 Ų | 60 | 114.9 Ų | 114.9 | 50% | 0.496 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -61.5 | -38.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | R486 E487 H494 | R486-A490 WeakPolarHBondContact O-CB 3.46Å; R486-A490 PolarHBondContact O-N 2.87Å; E487-A490 PolarHBondContact O-N 2.87Å; A490-H494 PolarHBondContact O-N 3.31Å; A490-H494 VanDerWaalsContact O-N 3.09Å |
| 491 | Q | 85.4 | Confident | 78.9 | Confident | 118 Ų | 118 | 110.2 Ų | 110.2 | 55% | 0.551 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -65.8 | -42.4 | 175.9 | -168.1 | 174.7 | 10.6 | 0 | 0 | 111.7 | E487 I488 L489 H494 E495 | E487-Q491 WeakPolarHBondContact O-CB 3.46Å; E487-Q491 PolarHBondContact O-N 2.9Å; I488-Q491 PolarHBondContact O-N 2.9Å; L489-Q491 VanDerWaalsContact C-N 3.3Å; L489-Q491 PolarHBondContact O-N 3.15Å; Q491-H494 PolarHBondContact O-N 3.35Å; Q491-E495 PolarHBondContact O-N 2.77Å |
| 492 | R | 84.9 | Confident | 78.9 | Confident | 151 Ų | 151 | 112.7 Ų | 112.7 | 57% | 0.57 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -67.1 | -39.7 | 177.2 | -69.6 | -69.4 | 172.1 | 85.4 | 1.7 | 112.3 | I488 L489 H494 E495 I496 | I488-R492 HydrophobicContact CG2-CG 4.47Å; I488-R492 VanDerWaalsContact O-CG 3.28Å; I488-R492 WeakPolarHBondContact O-CG 3.47Å; I488-R492 PolarHBondContact O-N 3.42Å; L489-R492 PolarHBondContact O-N 3.3Å; R492-H494 VanDerWaalsContact C-N 3.31Å; R492-H494 PolarHBondContact O-N 3.25Å; R492-E495 PolarHBondContact O-N 3.13Å; R492-I496 VanDerWaalsContact O-CG1 3.26Å; R492-I496 WeakPolarHBondContact O-CG1 3.45Å; R492-I496 PolarHBondContact O-N 2.8Å |
| 493 | D | 81.3 | Confident | 78.7 | Confident | 102 Ų | 102 | 114.8 Ų | 114.8 | 55% | 0.545 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -62.3 | -40.1 | 174.6 | -77.5 | -21.5 | 0 | 0 | 0 | 111.5 | L489 I496 Q497 | L489-D493 PolarHBondContact O-N 3.35Å; D493-I496 PolarHBondContact O-N 3.31Å; D493-Q497 WeakPolarHBondContact O-CB 3.42Å; D493-Q497 PolarHBondContact O-N 2.99Å |
| 494 | H | 82.6 | Confident | 78.4 | Confident | 120 Ų | 120 | 113.2 Ų | 113.2 | 56% | 0.556 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -63.5 | -42 | 174.7 | -144.7 | 128.4 | 0 | 0 | 0 | 111.9 | A490 Q491 R492 Q497 L498 | A490-H494 PolarHBondContact O-N 3.31Å; A490-H494 VanDerWaalsContact O-N 3.09Å; Q491-H494 PolarHBondContact O-N 3.35Å; R492-H494 VanDerWaalsContact C-N 3.31Å; R492-H494 PolarHBondContact O-N 3.25Å; H494-Q497 PolarHBondContact O-N 3.38Å; H494-L498 WeakPolarHBondContact O-CB 3.22Å; H494-L498 PolarHBondContact O-N 3.03Å |
| 495 | E | 81.8 | Confident | 78.2 | Confident | 84 Ų | 84 | 111.6 Ų | 111.6 | 39% | 0.393 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -65 | -41.2 | 175 | -76.1 | -176.6 | -176.4 | 0 | 0 | 112.8 | Q491 R492 Q497 L498 K499 | Q491-E495 PolarHBondContact O-N 2.77Å; R492-E495 PolarHBondContact O-N 3.13Å; E495-Q497 VanDerWaalsContact C-N 3.32Å; E495-L498 PolarHBondContact O-N 3.48Å; E495-K499 WeakPolarHBondContact O-CB 3.36Å; E495-K499 WeakPolarHBondContact O-CG 3.49Å; E495-K499 PolarHBondContact O-N 3.26Å |
| 496 | I | 76.9 | Confident | 77.7 | Confident | 101 Ų | 101 | 111.4 Ų | 111.4 | 52% | 0.518 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -62 | -44.1 | 175.8 | -69.8 | 165.4 | 0 | 0 | 0 | 109.5 | R492 D493 K499 K500 | R492-I496 VanDerWaalsContact O-CG1 3.26Å; R492-I496 WeakPolarHBondContact O-CG1 3.45Å; R492-I496 PolarHBondContact O-N 2.8Å; D493-I496 PolarHBondContact O-N 3.31Å; I496-K499 PolarHBondContact O-N 2.86Å; I496-K500 VanDerWaalsContact O-CB 3.32Å; I496-K500 WeakPolarHBondContact O-CB 2.82Å; I496-K500 PolarHBondContact O-N 2.87Å |
| 497 | Q | 78.9 | Confident | 77.4 | Confident | 136 Ų | 136 | 108.2 Ų | 108.2 | 64% | 0.636 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -63 | -43.7 | 177.5 | -168 | 173.1 | 13.8 | 0 | 0 | 111.9 | D493 H494 E495 K500 C501 | D493-Q497 WeakPolarHBondContact O-CB 3.42Å; D493-Q497 PolarHBondContact O-N 2.99Å; H494-Q497 PolarHBondContact O-N 3.38Å; E495-Q497 VanDerWaalsContact C-N 3.32Å; Q497-K500 PolarHBondContact O-N 3.45Å; Q497-C501 WeakPolarHBondContact O-CB 3.45Å; Q497-C501 PolarHBondContact O-N 3.14Å |
| 498 | L | 76.5 | Confident | 77 | Confident | 98 Ų | 98 | 109 Ų | 109 | 51% | 0.513 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -63 | -44.3 | 175.1 | -82.1 | 164.4 | 0 | 0 | 0 | 112.4 | H494 E495 C501 R502 | H494-L498 WeakPolarHBondContact O-CB 3.22Å; H494-L498 PolarHBondContact O-N 3.03Å; E495-L498 PolarHBondContact O-N 3.48Å; L498-C501 PolarHBondContact O-N 3.38Å; L498-R502 PolarHBondContact O-N 3.12Å |
| 499 | K | 74.7 | Confident | 76.4 | Confident | 139 Ų | 139 | 109.9 Ų | 109.9 | 60% | 0.604 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -61.8 | -44.8 | 176.4 | -79.4 | 179.2 | 179.5 | 173.1 | 0 | 111.2 | E495 I496 C501 R502 T503 | E495-K499 WeakPolarHBondContact O-CB 3.36Å; E495-K499 WeakPolarHBondContact O-CG 3.49Å; E495-K499 PolarHBondContact O-N 3.26Å; I496-K499 PolarHBondContact O-N 2.86Å; K499-C501 VanDerWaalsContact C-N 3.29Å; K499-C501 PolarHBondContact O-N 3.09Å; K499-R502 PolarHBondContact O-N 3.03Å; K499-T503 PolarHBondContact O-N 2.99Å; K499-T503 PolarHBondContact O-OG1 3.15Å |
| 500 | K | 74.9 | Confident | 75.9 | Confident | 163 Ų | 163 | 109.6 Ų | 109.6 | 71% | 0.709 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -62.3 | -36 | 177.5 | -153.9 | 173.8 | -171.9 | 177.3 | 0 | 111.9 | I496 Q497 T503 G504 | I496-K500 VanDerWaalsContact O-CB 3.32Å; I496-K500 WeakPolarHBondContact O-CB 2.82Å; I496-K500 PolarHBondContact O-N 2.87Å; Q497-K500 PolarHBondContact O-N 3.45Å; K500-T503 WeakPolarHBondContact CA-OG1 3.41Å; K500-T503 PolarHBondContact O-OG1 2.9Å; K500-G504 PolarHBondContact O-N 3.49Å |
| 501 | C | 71.7 | Confident | 75.3 | Confident | 85 Ų | 85 | 114 Ų | 114 | 57% | 0.574 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -67.4 | -43.6 | 173.9 | -142 | 0 | 0 | 0 | 0 | 111.8 | Q497 L498 K499 G504 V505 | Q497-C501 WeakPolarHBondContact O-CB 3.45Å; Q497-C501 PolarHBondContact O-N 3.14Å; L498-C501 PolarHBondContact O-N 3.38Å; K499-C501 VanDerWaalsContact C-N 3.29Å; K499-C501 PolarHBondContact O-N 3.09Å; C501-G504 PolarHBondContact O-N 2.95Å; C501-V505 WeakPolarHBondContact O-CG2 3.11Å; C501-V505 PolarHBondContact O-N 2.86Å |
| 502 | R | 73.5 | Confident | 74.6 | Confident | 193 Ų | 193 | 114.7 Ų | 114.7 | 73% | 0.728 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -62.9 | -44.7 | 176.3 | -75.8 | -179.7 | 174.4 | 173.8 | -0.4 | 112.9 | L498 K499 G504 V505 L506 | L498-R502 PolarHBondContact O-N 3.12Å; K499-R502 PolarHBondContact O-N 3.03Å; R502-G504 VanDerWaalsContact C-N 3.34Å; R502-V505 PolarHBondContact O-N 3.36Å; R502-L506 PolarHBondContact O-N 2.8Å |
| 503 | T | 66.2 | Low | 73.5 | Confident | 75 Ų | 75 | 114.7 Ų | 114.7 | 46% | 0.46 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -65.5 | -37.8 | 174.6 | 25.8 | 0 | 0 | 0 | 0 | 111.8 | K499 K500 V505 L506 I507 | K499-T503 PolarHBondContact O-N 2.99Å; K499-T503 PolarHBondContact O-OG1 3.15Å; K500-T503 WeakPolarHBondContact CA-OG1 3.41Å; K500-T503 PolarHBondContact O-OG1 2.9Å; T503-V505 PolarHBondContact O-N 2.95Å; T503-L506 PolarHBondContact O-N 2.99Å; T503-I507 WeakPolarHBondContact O-CB 3.2Å; T503-I507 WeakPolarHBondContact O-CD1 3.32Å; T503-I507 WeakPolarHBondContact O-CG1 3.36Å; T503-I507 PolarHBondContact O-N 2.96Å |
| 504 | G | 71.3 | Confident | 72.4 | Confident | 33 Ų | 33 | 117.4 Ų | 117.4 | 34% | 0.34 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -59.5 | -42.9 | 174 | 0 | 0 | 0 | 0 | 0 | 113.4 | K500 C501 R502 K508 | K500-G504 PolarHBondContact O-N 3.49Å; C501-G504 PolarHBondContact O-N 2.95Å; R502-G504 VanDerWaalsContact C-N 3.34Å; G504-K508 PolarHBondContact O-N 3.37Å; G504-K508 VanDerWaalsContact O-N 3.11Å |
| 505 | V | 75.3 | Confident | 71 | Confident | 83 Ų | 83 | 119.8 Ų | 119.8 | 50% | 0.503 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -65.9 | -43.8 | 175.2 | 173.8 | 0 | 0 | 0 | 0 | 111.2 | C501 R502 T503 I507 K508 L509 | C501-V505 WeakPolarHBondContact O-CG2 3.11Å; C501-V505 PolarHBondContact O-N 2.86Å; R502-V505 PolarHBondContact O-N 3.36Å; T503-V505 PolarHBondContact O-N 2.95Å; V505-I507 PolarHBondContact O-N 3.26Å; V505-K508 PolarHBondContact O-N 2.84Å; V505-L509 HydrophobicContact CG1-CD1 4.1Å; V505-L509 PolarHBondContact O-N 3.04Å |
| 506 | L | 64.7 | Low | 69.7 | Low | 100 Ų | 100 | 124.5 Ų | 124.5 | 52% | 0.524 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -63.4 | -40.7 | 178.6 | -167.7 | 69 | 0 | 0 | 0 | 111.9 | R502 T503 L509 L510 | R502-L506 PolarHBondContact O-N 2.8Å; T503-L506 PolarHBondContact O-N 2.99Å; L506-L509 PolarHBondContact O-N 3.43Å; L506-L510 HydrophobicContact CG-CD1 4.22Å; L506-L510 WeakPolarHBondContact O-CB 3.42Å; L506-L510 VanDerWaalsContact O-CG 3.32Å; L506-L510 WeakPolarHBondContact O-CG 3.33Å; L506-L510 PolarHBondContact O-N 3.28Å |
| 507 | I | 75.1 | Confident | 68 | Low | 100 Ų | 100 | 125.5 Ų | 125.5 | 51% | 0.513 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -64.1 | -40.3 | 175.8 | -69.3 | 165.4 | 0 | 0 | 0 | 110.9 | T503 V505 L510 K511 | T503-I507 WeakPolarHBondContact O-CB 3.2Å; T503-I507 WeakPolarHBondContact O-CD1 3.32Å; T503-I507 WeakPolarHBondContact O-CG1 3.36Å; T503-I507 PolarHBondContact O-N 2.96Å; V505-I507 PolarHBondContact O-N 3.26Å; I507-L510 PolarHBondContact O-N 3.44Å; I507-K511 WeakPolarHBondContact O-CB 3.24Å; I507-K511 PolarHBondContact O-N 2.99Å |
| 508 | K | 74.3 | Confident | 66 | Low | 157 Ų | 157 | 125.1 Ų | 125.1 | 68% | 0.683 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -63.7 | -43.3 | 175 | -78.6 | -177.7 | 179.6 | -179.9 | 0 | 111.9 | G504 V505 K511 Q512 | G504-K508 PolarHBondContact O-N 3.37Å; G504-K508 VanDerWaalsContact O-N 3.11Å; V505-K508 PolarHBondContact O-N 2.84Å; K508-K511 PolarHBondContact O-N 3.09Å; K508-Q512 WeakPolarHBondContact O-CB 3.45Å; K508-Q512 PolarHBondContact O-N 3.07Å |
| 509 | L | 73.1 | Confident | 64.1 | Low | 100 Ų | 100 | 126.2 Ų | 126.2 | 52% | 0.524 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -61.5 | -44.4 | 174.7 | -85.4 | 160.2 | 0 | 0 | 0 | 111.8 | V505 L506 Q512 K513 | V505-L509 HydrophobicContact CG1-CD1 4.1Å; V505-L509 PolarHBondContact O-N 3.04Å; L506-L509 PolarHBondContact O-N 3.43Å; L509-Q512 PolarHBondContact O-N 3.27Å; L509-K513 WeakPolarHBondContact O-CB 3.47Å; L509-K513 PolarHBondContact O-N 2.88Å |
| 510 | L | 68.4 | Low | 62.2 | Low | 103 Ų | 103 | 128.9 Ų | 128.9 | 54% | 0.539 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -66 | -39.7 | 177.4 | -74 | 169 | 0 | 0 | 0 | 112.1 | L506 I507 K513 K514 | L506-L510 HydrophobicContact CG-CD1 4.22Å; L506-L510 WeakPolarHBondContact O-CB 3.42Å; L506-L510 VanDerWaalsContact O-CG 3.32Å; L506-L510 WeakPolarHBondContact O-CG 3.33Å; L506-L510 PolarHBondContact O-N 3.28Å; I507-L510 PolarHBondContact O-N 3.44Å; L510-K513 PolarHBondContact O-N 3.03Å; L510-K514 WeakPolarHBondContact O-CB 3.46Å; L510-K514 PolarHBondContact O-N 3.41Å |
| 511 | K | 69.4 | Low | 60.2 | Low | 154 Ų | 154 | 128.3 Ų | 128.3 | 67% | 0.67 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -63.7 | -44.7 | 173.3 | -101.3 | -172.7 | 173.7 | -176.8 | 0 | 111.7 | I507 K508 K513 K514 Q515 | I507-K511 WeakPolarHBondContact O-CB 3.24Å; I507-K511 PolarHBondContact O-N 2.99Å; K508-K511 PolarHBondContact O-N 3.09Å; K511-K513 VanDerWaalsContact C-N 3.29Å; K511-K513 PolarHBondContact O-N 3.1Å; K511-K514 PolarHBondContact O-N 3.47Å; K511-Q515 PolarHBondContact O-N 3.18Å |
| 512 | Q | 70.1 | Confident | 58.2 | Low | 132 Ų | 132 | 135.6 Ų | 135.6 | 62% | 0.617 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -62.4 | -37 | 176.1 | -84 | -177.1 | -6.2 | 0 | 0 | 112.2 | K508 L509 Q515 | K508-Q512 WeakPolarHBondContact O-CB 3.45Å; K508-Q512 PolarHBondContact O-N 3.07Å; L509-Q512 PolarHBondContact O-N 3.27Å; Q512-Q515 PolarHBondContact O-N 3.14Å |
| 513 | K | 63.8 | Low | 56.2 | Low | 150 Ų | 150 | 131.5 Ų | 131.5 | 65% | 0.652 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -68.5 | -45.3 | 175.7 | -135.6 | 170.3 | -176.1 | 168.6 | 0 | 111.5 | L509 L510 K511 Q515 K516 | L509-K513 WeakPolarHBondContact O-CB 3.47Å; L509-K513 PolarHBondContact O-N 2.88Å; L510-K513 PolarHBondContact O-N 3.03Å; K511-K513 VanDerWaalsContact C-N 3.29Å; K511-K513 PolarHBondContact O-N 3.1Å; K513-Q515 PolarHBondContact O-N 3.43Å; K513-K516 PolarHBondContact O-N 3.03Å; K513-K516 VanDerWaalsContact O-N 3.12Å |
| 514 | K | 58.1 | Low | 54.6 | Low | 159 Ų | 159 | 133.1 Ų | 133.1 | 69% | 0.691 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -62.7 | -27.9 | 176.5 | -113 | -171.9 | 175.6 | -177.1 | 0 | 113.8 | L510 K511 K516 | L510-K514 WeakPolarHBondContact O-CB 3.46Å; L510-K514 PolarHBondContact O-N 3.41Å; K511-K514 PolarHBondContact O-N 3.47Å; K514-K516 VanDerWaalsContact C-N 3.32Å |
| 515 | Q | 52.6 | Low | 52.8 | Low | 171 Ų | 171 | 139.9 Ų | 139.9 | 80% | 0.799 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -78.1 | -15 | 178 | -120.5 | 161.1 | 11.2 | 0 | 0 | 113.8 | K511 Q512 K513 | K511-Q515 PolarHBondContact O-N 3.18Å; Q512-Q515 PolarHBondContact O-N 3.14Å; K513-Q515 PolarHBondContact O-N 3.43Å |
| 516 | K | 53.3 | Low | 50.7 | Low | 183 Ų | 183 | 141.6 Ų | 141.6 | 80% | 0.796 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -88.2 | -21.2 | 175.6 | -77.5 | -170.6 | 173.4 | -174 | 0 | 114.2 | K513 K514 | K513-K516 PolarHBondContact O-N 3.03Å; K513-K516 VanDerWaalsContact O-N 3.12Å; K514-K516 VanDerWaalsContact C-N 3.32Å |
| 517 | D | 42.9 | Very low | 49 | Very low | 122 Ų | 122 | 147.1 Ų | 147.1 | 65% | 0.652 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -110.2 | 25.7 | -166.3 | -66 | -27.2 | 0 | 0 | 0 | 115.4 | ||
| 518 | I | 35.9 | Very low | 47 | Very low | 127 Ų | 127 | 148.2 Ų | 148.2 | 65% | 0.651 | 73% | 0.726 | S | S | * | * | trans | -122.9 | 102.2 | 177.4 | -53 | 174.3 | 0 | 0 | 0 | 110.8 | K520 | I518-K520 PolarHBondContact O-N 2.75Š| ||
| 519 | P | 36 | Very low | 45 | Very low | 122 Ų | 122 | 148.1 Ų | 148.1 | 79% | 0.792 | 73% | 0.733 | S | S | * | * | trans | -64.9 | 121.8 | 167 | -13.6 | 27.7 | 0 | 0 | 0 | 109.8 | N521 | P519-N521 PolarHBondContact O-N 3.16Š| ||
| 520 | K | 35.9 | Very low | 43.1 | Very low | 194 Ų | 194 | 147.9 Ų | 147.9 | 84% | 0.843 | 75% | 0.745 | S | S | * | * | trans | -71.2 | 107.3 | 170.4 | -65.3 | 175 | 179.9 | 176.1 | 0 | 108.4 | I518 | I518-K520 PolarHBondContact O-N 2.75Š| ||
| 521 | N | 32.9 | Very low | 41.5 | Very low | 151 Ų | 151 | 150.4 Ų | 150.4 | 81% | 0.807 | 76% | 0.759 | S | S | * | * | trans | 169.9 | 87.1 | 148.3 | -89.2 | -17.4 | 0 | 0 | 0 | 110.2 | P519 | P519-N521 PolarHBondContact O-N 3.16Š| ||
| 522 | Y | 29.7 | Very low | 39.6 | Very low | 238 Ų | 238 | 150.3 Ų | 150.3 | 93% | 0.933 | 76% | 0.764 | S | S | * | * | trans | -149 | 100 | 152.9 | -108 | -84.1 | 0 | 0 | 0 | 107.4 | ||||
| 523 | S | 30.4 | Very low | 37.8 | Very low | 108 Ų | 108 | 149.5 Ų | 149.5 | 76% | 0.755 | 77% | 0.771 | S | S | * | * | trans | -85 | 121.2 | 171.5 | -174.7 | 0 | 0 | 0 | 0 | 108.2 | H525 | S523-H525 PolarHBondContact O-N 2.87Š| ||
| 524 | P | 33.5 | Very low | 36.1 | Very low | 108 Ų | 108 | 149.4 Ų | 149.4 | 70% | 0.701 | 78% | 0.777 | S | S | * | * | trans | -84.1 | 111.6 | -177.5 | 30.7 | -28.4 | 0 | 0 | 0 | 110.1 | V526 | P524-V526 PolarHBondContact O-N 2.94Å; P524-V526 VanDerWaalsContact O-N 3.17Å | ||
| 525 | H | 34.3 | Very low | 34.9 | Very low | 175 Ų | 175 | 150.6 Ų | 150.6 | 81% | 0.81 | 79% | 0.785 | S | S | * | * | trans | -66.1 | 110.9 | 166.1 | -91.6 | -76.5 | 0 | 0 | 0 | 109.3 | S523 Y527 | S523-H525 PolarHBondContact O-N 2.87Å; H525-Y527 PolarHBondContact O-N 3.02Å | ||
| 526 | V | 31 | Very low | 33.8 | Very low | 119 Ų | 119 | 148.8 Ų | 148.8 | 72% | 0.721 | 78% | 0.781 | S | S | * | * | trans | -75.2 | 110.4 | 173.8 | 177.7 | 0 | 0 | 0 | 0 | 108.2 | P524 T528 | P524-V526 PolarHBondContact O-N 2.94Å; P524-V526 VanDerWaalsContact O-N 3.17Å; V526-T528 HydrophobicContact CG1-CG2 4.07Å; V526-T528 PolarHBondContact O-N 2.89Å | ||
| 527 | Y | 28.9 | Very low | 32.6 | Very low | 216 Ų | 216 | 147 Ų | 147 | 85% | 0.847 | 78% | 0.78 | S | S | * | * | trans | -76.2 | 103.4 | 164.5 | -74.1 | -85.4 | 0 | 0 | 0 | 108 | H525 | H525-Y527 PolarHBondContact O-N 3.02Š| ||
| 528 | T | 33.3 | Very low | 32.1 | Very low | 123 Ų | 123 | 148.7 Ų | 148.7 | 76% | 0.755 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -78.3 | 119.1 | 170.3 | 49.1 | 0 | 0 | 0 | 0 | 109.2 | V526 A530 | V526-T528 HydrophobicContact CG1-CG2 4.07Å; V526-T528 PolarHBondContact O-N 2.89Å; T528-A530 PolarHBondContact O-N 3.28Å |
| 529 | N | 30.8 | Very low | 31.7 | Very low | 156 Ų | 156 | 148.2 Ų | 148.2 | 83% | 0.834 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 121.9 | 174.4 | -73.9 | -19.7 | 0 | 0 | 0 | 110.8 | ||
| 530 | A | 34.8 | Very low | 31.3 | Very low | 94 Ų | 94 | 147 Ų | 147 | 78% | 0.777 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 127.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | T528 I532 | T528-A530 PolarHBondContact O-N 3.28Å; A530-I532 PolarHBondContact O-N 2.7Å |
| 531 | N | 33.4 | Very low | 30.9 | Very low | 156 Ų | 156 | 143.7 Ų | 143.7 | 83% | 0.834 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 126.9 | 177.2 | -71.7 | -41.1 | 0 | 0 | 0 | 111.1 | P533 | N531-P533 WeakPolarHBondContact O-CD 3.38Š|
| 532 | I | 29.4 | Very low | 30.5 | Very low | 152 Ų | 152 | 144 Ų | 144 | 78% | 0.779 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 117.6 | 169.1 | -62.8 | 166.1 | 0 | 0 | 0 | 107.3 | A530 | A530-I532 PolarHBondContact O-N 2.7Š|
| 533 | P | 32.6 | Very low | 30.4 | Very low | 116 Ų | 116 | 136.8 Ų | 136.8 | 75% | 0.753 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -85.3 | 117.2 | 173.5 | -1.9 | 21.3 | 0 | 0 | 0 | 109.7 | N531 H535 | N531-P533 WeakPolarHBondContact O-CD 3.38Å; P533-H535 PolarHBondContact O-N 3.03Å |
| 534 | N | 28 | Very low | 30.2 | Very low | 148 Ų | 148 | 140.1 Ų | 140.1 | 79% | 0.791 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -63 | 124 | 162.5 | -72.9 | -26.3 | 0 | 0 | 0 | 108.7 | ||
| 535 | H | 33.8 | Very low | 29.6 | Very low | 183 Ų | 183 | 141 Ų | 141 | 85% | 0.847 | 78% | 0.779 | S | S | * | * | trans | -131.1 | 110.2 | 164.2 | -142 | -61.5 | 0 | 0 | 0 | 108.3 | P533 | P533-H535 PolarHBondContact O-N 3.03Š| ||
| 536 | D | 30.1 | Very low | 29.5 | Very low | 133 Ų | 133 | 138.5 Ų | 138.5 | 71% | 0.711 | 78% | 0.776 | S | S | * | * | trans | -69.7 | 144.7 | 177.8 | -66.9 | -45.6 | 0 | 0 | 0 | 111.8 | ||||
| 537 | D | 27.1 | Very low | 29.2 | Very low | 146 Ų | 146 | 141.5 Ų | 141.5 | 78% | 0.781 | 78% | 0.782 | S | S | * | * | trans | 29.5 | 114.1 | 142.9 | -64.2 | -25.1 | 0 | 0 | 0 | 119.7 | ||||
| 538 | N | 32.2 | Very low | 29.2 | Very low | 158 Ų | 158 | 138.5 Ų | 138.5 | 85% | 0.845 | 78% | 0.781 | S | S | * | * | trans | -151.6 | 100.9 | 137 | -98 | -37.1 | 0 | 0 | 0 | 111.4 | ||||
| 539 | T | 27.1 | Very low | 28.8 | Very low | 117 Ų | 117 | 138.9 Ų | 138.9 | 72% | 0.718 | 78% | 0.783 | S | S | * | * | trans | 5.7 | 132.6 | 136.3 | 28.3 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 540 | S | 27.3 | Very low | 28.5 | Very low | 96 Ų | 96 | 136.6 Ų | 136.6 | 67% | 0.671 | 78% | 0.78 | S | S | * | * | 100.6 | 122.4 | 129.3 | -65.5 | 0 | 0 | 0 | 0 | 120 | |||||
| 541 | T | 27.9 | Very low | 28.2 | Very low | 125 Ų | 125 | 138.3 Ų | 138.3 | 77% | 0.767 | 78% | 0.781 | S | S | * | * | trans | 87.1 | 110.5 | 132 | 51.5 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 542 | N | 25.4 | Very low | 28 | Very low | 156 Ų | 156 | 137.8 Ų | 137.8 | 83% | 0.834 | 78% | 0.783 | S | S | * | * | 76.1 | 118.5 | 124.6 | -97.6 | -2.9 | 0 | 0 | 0 | 121.1 | |||||
| 543 | S | 27.4 | Very low | 28.1 | Very low | 87 Ų | 87 | 139.3 Ų | 139.3 | 61% | 0.608 | 79% | 0.787 | S | S | * | * | 97.3 | 124.9 | 119.9 | -151.3 | 0 | 0 | 0 | 0 | 118.6 | |||||
| 544 | Q | 27 | Very low | 27.8 | Very low | 179 Ų | 179 | 139.4 Ų | 139.4 | 84% | 0.836 | 79% | 0.791 | S | S | * | * | trans | 80.8 | 111.1 | 142 | -84 | 162.6 | -33.4 | 0 | 0 | 120.2 | ||||
| 545 | C | 20.9 | Very low | 27.6 | Very low | 125 Ų | 125 | 138.4 Ų | 138.4 | 85% | 0.845 | 79% | 0.794 | S | S | * | * | trans | -45.2 | 138.6 | 155.9 | -51.5 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 546 | V | 31 | Very low | 27.3 | Very low | 123 Ų | 123 | 139.2 Ų | 139.2 | 75% | 0.745 | 80% | 0.795 | S | S | * | * | trans | -140.5 | 118.8 | 144.8 | 178.8 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 547 | E | 25.1 | Very low | 27.1 | Very low | 182 Ų | 182 | 139.3 Ų | 139.3 | 85% | 0.85 | 80% | 0.8 | S | S | * | * | trans | -66.2 | 127.4 | 166.2 | -67.3 | 173.9 | 143 | 0 | 0 | 109.5 | ||||
| 548 | N | 29.8 | Very low | 27.2 | Very low | 153 Ų | 153 | 140.8 Ų | 140.8 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | trans | -124.5 | 105.2 | 161.8 | -81.4 | -18.5 | 0 | 0 | 0 | 108.4 | ||||
| 549 | T | 23.5 | Very low | 26.8 | Very low | 131 Ų | 131 | 140.9 Ų | 140.9 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | trans | -81 | 157.9 | 165.4 | 23.3 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 550 | S | 24 | Very low | 26.9 | Very low | 109 Ų | 109 | 144.8 Ų | 144.8 | 76% | 0.762 | 81% | 0.81 | S | S | * | * | trans | 94.7 | 112.2 | 168.9 | 79 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 551 | T | 29.5 | Very low | 26.8 | Very low | 130 Ų | 130 | 145.5 Ų | 145.5 | 80% | 0.798 | 82% | 0.815 | S | S | * | * | 178.2 | 113.6 | 107.4 | 32.1 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 552 | T | 28.1 | Very low | 26.7 | Very low | 144 Ų | 144 | 146.7 Ų | 146.7 | 88% | 0.883 | 82% | 0.816 | S | S | * | * | trans | -79.1 | 115.9 | 170.5 | 37.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 553 | E | 31.4 | Very low | 26.9 | Very low | 184 Ų | 184 | 146.1 Ų | 146.1 | 86% | 0.86 | 81% | 0.812 | S | S | * | * | trans | -90 | 109.9 | 174.8 | -71.9 | -173.9 | 154.1 | 0 | 0 | 111.2 | ||||
| 554 | S | 26.9 | Very low | 26.8 | Very low | 118 Ų | 118 | 151 Ų | 151 | 83% | 0.825 | 83% | 0.825 | S | S | * | * | trans | -74.7 | 115.5 | 171.2 | -90.8 | 0 | 0 | 0 | 0 | 111.1 | K556 | S554-K556 PolarHBondContact O-N 3.33Š| ||
| 555 | C | 24.8 | Very low | 26.8 | Very low | 127 Ų | 127 | 146 Ų | 146 | 86% | 0.858 | 82% | 0.821 | S | S | * | * | trans | -75.7 | 115.8 | 171.2 | -75 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 556 | K | 26.1 | Very low | 27 | Very low | 200 Ų | 200 | 149.4 Ų | 149.4 | 87% | 0.87 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -81.9 | 117 | 176.6 | -72.6 | 176 | 176.4 | 174.2 | 0 | 110.9 | S554 | S554-K556 PolarHBondContact O-N 3.33Š|
| 557 | V | 27.6 | Very low | 27 | Very low | 136 Ų | 136 | 153 Ų | 153 | 82% | 0.824 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -86.2 | 118.6 | 167.8 | 176.9 | 0 | 0 | 0 | 0 | 108.8 | ||
| 558 | Q | 28.4 | Very low | 27.1 | Very low | 177 Ų | 177 | 150.6 Ų | 150.6 | 83% | 0.827 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -79.2 | 116.5 | -180 | -79.2 | 175.6 | -29.5 | 0 | 0 | 111.4 | ||
| 559 | N | 23.6 | Very low | 26.9 | Very low | 159 Ų | 159 | 153.6 Ų | 153.6 | 85% | 0.85 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 121.7 | 165.9 | -78.7 | -26.5 | 0 | 0 | 0 | 110.5 | ||
| 560 | K | 28.9 | Very low | 27.2 | Very low | 200 Ų | 200 | 155.4 Ų | 155.4 | 87% | 0.87 | 83% | 0.833 | S | S | * | * | trans | -111.6 | 101.7 | 161.5 | -83.9 | -175.6 | 175.8 | 177.9 | 0 | 109 | ||||
| 561 | S | 25.1 | Very low | 27.6 | Very low | 110 Ų | 110 | 155.2 Ų | 155.2 | 77% | 0.769 | 83% | 0.828 | S | S | * | * | trans | -76.4 | 123.2 | 166.2 | 48.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 562 | N | 27.3 | Very low | 27.9 | Very low | 151 Ų | 151 | 153.8 Ų | 153.8 | 81% | 0.807 | 82% | 0.821 | S | S | * | * | trans | -134.7 | 97.9 | 166.8 | -100.8 | -3.1 | 0 | 0 | 0 | 110.1 | ||||
| 563 | I | 29.1 | Very low | 28.6 | Very low | 144 Ų | 144 | 153.9 Ų | 153.9 | 74% | 0.738 | 81% | 0.811 | S | S | * | * | 42 | 106.2 | 128.1 | -53.5 | 173.5 | 0 | 0 | 0 | 118.2 | |||||
| 564 | E | 24.5 | Very low | 29.3 | Very low | 189 Ų | 189 | 149.2 Ų | 149.2 | 88% | 0.883 | 80% | 0.795 | S | S | * | * | 27.6 | 114.3 | 129.3 | -63.3 | 176.6 | 166.4 | 0 | 0 | 119.5 | |||||
| 565 | G | 27.2 | Very low | 30.7 | Very low | 73 Ų | 73 | 149.2 Ų | 149.2 | 75% | 0.753 | 79% | 0.786 | S | S | * | * | trans | -154.2 | 100.4 | 161.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | K567 | G565-K567 PolarHBondContact O-N 3.22Š| ||
| 566 | H | 26.4 | Very low | 32.6 | Very low | 198 Ų | 198 | 146.9 Ų | 146.9 | 92% | 0.917 | 77% | 0.768 | S | S | * | * | trans | -52.2 | 106.5 | 171.7 | -77.1 | -90.5 | 0 | 0 | 0 | 111.3 | ||||
| 567 | K | 30 | Very low | 34.2 | Very low | 198 Ų | 198 | 139.8 Ų | 139.8 | 86% | 0.861 | 74% | 0.739 | S | S | * | * | trans | -134.8 | 112.1 | 159.7 | -75.7 | -171.3 | 178.7 | 177.3 | 0 | 109.8 | G565 | G565-K567 PolarHBondContact O-N 3.22Š| ||
| 568 | T | 27.1 | Very low | 36 | Very low | 131 Ų | 131 | 139 Ų | 139 | 80% | 0.804 | 73% | 0.729 | S | S | * | * | trans | -13 | 124 | 163.5 | -10.2 | 0 | 0 | 0 | 0 | 115.4 | Q570 | T568-Q570 PolarHBondContact O-N 3.5Š| ||
| 569 | F | 26.2 | Very low | 38.2 | Very low | 216 Ų | 216 | 134.8 Ų | 134.8 | 95% | 0.947 | 71% | 0.713 | S | S | * | * | trans | -46.3 | 101.9 | 166.4 | -99 | -111.4 | 0 | 0 | 0 | 111.1 | ||||
| 570 | Q | 28.6 | Very low | 40.6 | Very low | 169 Ų | 169 | 131.1 Ų | 131.1 | 79% | 0.79 | 69% | 0.691 | S | S | * | * | trans | -129.4 | 120.8 | 158.3 | -73.9 | -172.9 | -7 | 0 | 0 | 108.5 | T568 P572 | T568-Q570 PolarHBondContact O-N 3.5Å; Q570-P572 WeakPolarHBondContact O-CD 3.18Å | ||
| 571 | T | 33.8 | Very low | 42.8 | Very low | 106 Ų | 106 | 121.8 Ų | 121.8 | 65% | 0.65 | 65% | 0.651 | S | S | * | * | trans | -15.1 | 107.1 | 168.8 | 42.9 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 572 | P | 35.9 | Very low | 45.4 | Very low | 100 Ų | 100 | 121.6 Ų | 121.6 | 65% | 0.649 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -79.6 | -20.3 | 170.6 | -13.6 | 29.1 | 0 | 0 | 0 | 113.8 | Q570 T574 T576 | Q570-P572 WeakPolarHBondContact O-CD 3.18Å; P572-T574 PolarHBondContact O-N 3.32Å; P572-T576 PolarHBondContact O-OG1 2.98Å |
| 573 | Q | 42.4 | Very low | 47.9 | Very low | 146 Ų | 146 | 123.1 Ų | 123.1 | 68% | 0.682 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -73.6 | -29.3 | -166.9 | -70.8 | -174.5 | -6.6 | 0 | 0 | 114.9 | ||
| 574 | T | 46.5 | Very low | 50.3 | Low | 85 Ų | 85 | 118 Ų | 118 | 52% | 0.521 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -72.4 | -35.3 | -178.1 | 29.8 | 0 | 0 | 0 | 0 | 112.7 | P572 L578 | P572-T574 PolarHBondContact O-N 3.32Å; T574-L578 PolarHBondContact O-N 2.72Å |
| 575 | N | 56.1 | Low | 53 | Low | 119 Ų | 119 | 109 Ų | 109 | 64% | 0.636 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -72.1 | -39 | -179.2 | -71.2 | -10.7 | 0 | 0 | 0 | 112 | L577 L578 D579 | N575-L577 PolarHBondContact O-N 2.93Å; N575-L578 PolarHBondContact O-N 3.28Å; N575-D579 PolarHBondContact O-N 3.07Å; N575-D579 VanDerWaalsContact O-N 3.11Å |
| 576 | T | 63.2 | Low | 55.6 | Low | 77 Ų | 77 | 108.5 Ų | 108.5 | 47% | 0.472 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -65 | -42 | -179 | -21.9 | 0 | 0 | 0 | 0 | 112.2 | P572 L578 D579 E580 | P572-T576 PolarHBondContact O-OG1 2.98Å; T576-L578 VanDerWaalsContact C-N 3.33Å; T576-L578 PolarHBondContact O-N 3.35Å; T576-D579 PolarHBondContact O-N 3.44Å; T576-E580 WeakPolarHBondContact O-CG 3.24Å; T576-E580 PolarHBondContact O-N 3.18Å; T576-E580 VanDerWaalsContact O-N 3.08Å |
| 577 | L | 59.7 | Low | 58.3 | Low | 52 Ų | 52 | 105.1 Ų | 105.1 | 27% | 0.272 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -64.3 | -38.1 | 178.6 | -75.2 | 173.8 | 0 | 0 | 0 | 112.2 | N575 S581 K640 | N575-L577 PolarHBondContact O-N 2.93Å; L577-S581 WeakPolarHBondContact O-CB 3.47Å; L577-S581 PolarHBondContact O-N 3.39Å; L577-S581 VanDerWaalsContact O-N 3.08Å; L577-S581 PolarHBondContact O-OG 2.92Å; L577-K640 HydrophobicContact CD2-CD 3.83Å; L577-K640 HydrophobicContact CD2-CG 4Å |
| 578 | L | 66.6 | Low | 60.6 | Low | 118 Ų | 118 | 96.8 Ų | 96.8 | 62% | 0.618 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -66.9 | -43.4 | 178.1 | -131.3 | 107.8 | 0 | 0 | 0 | 111.2 | T574 N575 T576 S581 K582 | T574-L578 PolarHBondContact O-N 2.72Å; N575-L578 PolarHBondContact O-N 3.28Å; T576-L578 VanDerWaalsContact C-N 3.33Å; T576-L578 PolarHBondContact O-N 3.35Å; L578-S581 PolarHBondContact O-N 3.17Å; L578-K582 WeakPolarHBondContact O-CB 3.25Å; L578-K582 PolarHBondContact O-N 2.87Å |
| 579 | D | 74 | Confident | 63.1 | Low | 90 Ų | 90 | 91 Ų | 91 | 48% | 0.481 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -63.8 | -41.2 | 178.9 | -92.9 | -4.1 | 0 | 0 | 0 | 112.7 | N575 T576 K582 R583 | N575-D579 PolarHBondContact O-N 3.07Å; N575-D579 VanDerWaalsContact O-N 3.11Å; T576-D579 PolarHBondContact O-N 3.44Å; D579-K582 WeakPolarHBondContact O-CB 3.47Å; D579-K582 PolarHBondContact O-N 2.93Å; D579-R583 WeakPolarHBondContact O-CG 3.5Å; D579-R583 PolarHBondContact O-N 3.21Å |
| 580 | E | 73.3 | Confident | 65.7 | Low | 82 Ų | 82 | 87.2 Ų | 87.2 | 38% | 0.383 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -69.7 | -38.4 | 177.4 | -67.4 | 173.8 | 117.3 | 0 | 0 | 112 | T576 K582 R583 A584 K640 | T576-E580 WeakPolarHBondContact O-CG 3.24Å; T576-E580 PolarHBondContact O-N 3.18Å; T576-E580 VanDerWaalsContact O-N 3.08Å; E580-K582 VanDerWaalsContact C-N 3.31Å; E580-K582 PolarHBondContact O-N 3.1Å; E580-R583 PolarHBondContact O-N 3.46Å; E580-A584 PolarHBondContact O-N 2.7Å; E580-K640 IonicContact OE1-NZ 2.69Å; E580-K640 PolarHBondContact OE1-NZ 3.35Å; E580-K640 VanDerWaalsContact OE1-NZ 3.16Å; E580-K640 WeakPolarHBondContact OE2-CE 3.49Å; E580-K640 IonicContact OE2-NZ 2.78Å; E580-K640 PolarHBondContact OE2-NZ 3.07Å |
| 581 | S | 75.8 | Confident | 68 | Low | 4 Ų | 4 | 85.4 Ų | 85.4 | 3% | 0.028 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -64 | -39.7 | 175.4 | -55.9 | 0 | 0 | 0 | 0 | 111 | L577 L578 A584 V585 A637 | L577-S581 WeakPolarHBondContact O-CB 3.47Å; L577-S581 PolarHBondContact O-N 3.39Å; L577-S581 VanDerWaalsContact O-N 3.08Å; L577-S581 PolarHBondContact O-OG 2.92Å; L578-S581 PolarHBondContact O-N 3.17Å; S581-A584 PolarHBondContact O-N 3.18Å; S581-V585 WeakPolarHBondContact O-CG2 3.33Å; S581-V585 PolarHBondContact O-N 3.18Å; S581-A637 VanDerWaalsContact OG-CA 3.27Å; S581-A637 WeakPolarHBondContact OG-CA 3.39Å |
| 582 | K | 80.1 | Confident | 70 | Confident | 105 Ų | 105 | 80.6 Ų | 80.6 | 46% | 0.457 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -59.7 | -47.2 | 172.7 | -175 | 178.8 | 177.2 | -177.7 | 0 | 111.4 | L578 D579 E580 A584 V585 D586 | L578-K582 WeakPolarHBondContact O-CB 3.25Å; L578-K582 PolarHBondContact O-N 2.87Å; D579-K582 WeakPolarHBondContact O-CB 3.47Å; D579-K582 PolarHBondContact O-N 2.93Å; E580-K582 VanDerWaalsContact C-N 3.31Å; E580-K582 PolarHBondContact O-N 3.1Å; K582-A584 PolarHBondContact O-N 2.78Å; K582-V585 PolarHBondContact O-N 3.09Å; K582-D586 WeakPolarHBondContact O-CB 3.41Å; K582-D586 PolarHBondContact O-N 3.49Å |
| 583 | R | 79.9 | Confident | 71.8 | Confident | 184 Ų | 184 | 77.6 Ų | 77.6 | 69% | 0.694 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -60.4 | -42.1 | 176.4 | -70.3 | 177.9 | -163.7 | -164.2 | 4.7 | 112.6 | D579 E580 D586 H587 | D579-R583 WeakPolarHBondContact O-CG 3.5Å; D579-R583 PolarHBondContact O-N 3.21Å; E580-R583 PolarHBondContact O-N 3.46Å; R583-D586 PolarHBondContact O-N 3.33Å; R583-H587 WeakPolarHBondContact O-CB 3.45Å; R583-H587 PolarHBondContact O-N 2.84Å |
| 584 | A | 78.5 | Confident | 73.4 | Confident | 37 Ų | 37 | 77 Ų | 77 | 31% | 0.306 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -62.2 | -45.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | E580 S581 K582 H587 V588 Y636 | E580-A584 PolarHBondContact O-N 2.7Å; S581-A584 PolarHBondContact O-N 3.18Å; K582-A584 PolarHBondContact O-N 2.78Å; A584-H587 WeakPolarHBondContact O-CB 3.47Å; A584-H587 PolarHBondContact O-N 2.87Å; A584-V588 WeakPolarHBondContact O-CG2 3.46Å; A584-V588 PolarHBondContact O-N 3.15Å; A584-Y636 HydrophobicContact CB-CD1 4.21Å; A584-Y636 HydrophobicContact CB-CE1 4.47Å |
| 585 | V | 82.4 | Confident | 74.5 | Confident | 0 Ų | 0 | 76.6 Ų | 76.6 | 0% | 0 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -69.6 | -40 | 177.3 | 174.7 | 0 | 0 | 0 | 0 | 112.1 | S581 K582 H587 V588 T589 L632 K633 Y636 | S581-V585 WeakPolarHBondContact O-CG2 3.33Å; S581-V585 PolarHBondContact O-N 3.18Å; K582-V585 PolarHBondContact O-N 3.09Å; V585-H587 PolarHBondContact O-N 3.15Å; V585-V588 PolarHBondContact O-N 3.27Å; V585-T589 HydrophobicContact CG1-CG2 3.9Å; V585-T589 WeakPolarHBondContact O-CB 3.47Å; V585-T589 WeakPolarHBondContact O-CG2 3.33Å; V585-T589 PolarHBondContact O-N 2.53Å; V585-T589 PolarHBondContact O-OG1 3.38Å; V585-L632 HydrophobicContact CG1-CB 4.36Å; V585-L632 HydrophobicContact CG1-CD2 4.13Å; V585-L632 HydrophobicContact CG1-CG 4.34Å; V585-L632 HydrophobicContact CG2-CB 4.42Å; V585-L632 HydrophobicContact CG2-CD2 4.48Å; V585-L632 HydrophobicContact CG2-CG 4.04Å; V585-K633 HydrophobicContact CB-CG 3.67Å; V585-K633 HydrophobicContact CG1-CG 3.78Å; V585-K633 HydrophobicContact CG2-CB 4.26Å; V585-K633 HydrophobicContact CG2-CG 3.72Å; V585-Y636 HydrophobicContact CG2-CD2 3.66Å; V585-Y636 HydrophobicContact CG2-CE2 4.27Å; V585-Y636 HydrophobicContact CG2-CG 4.08Å |
| 586 | D | 80.9 | Confident | 75.1 | Confident | 61 Ų | 61 | 71 Ų | 71 | 33% | 0.326 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -60.8 | -37.2 | 175.3 | -72.2 | -14.7 | 0 | 0 | 0 | 110.9 | K582 R583 T589 K590 | K582-D586 WeakPolarHBondContact O-CB 3.41Å; K582-D586 PolarHBondContact O-N 3.49Å; R583-D586 PolarHBondContact O-N 3.33Å; D586-T589 VanDerWaalsContact CA-OG1 3.28Å; D586-T589 WeakPolarHBondContact CA-OG1 3.48Å; D586-T589 PolarHBondContact O-OG1 2.96Å; D586-K590 WeakPolarHBondContact O-CB 3.5Å; D586-K590 VanDerWaalsContact O-CG 3.29Å; D586-K590 WeakPolarHBondContact O-CG 3.39Å; D586-K590 PolarHBondContact O-N 3.09Å |
| 587 | H | 82.9 | Confident | 75.4 | Confident | 127 Ų | 127 | 69 Ų | 69 | 59% | 0.588 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -64.8 | -52.2 | 173.4 | -176.2 | -87.1 | 0 | 0 | 0 | 112.1 | R583 A584 V585 T589 K590 W591 | R583-H587 WeakPolarHBondContact O-CB 3.45Å; R583-H587 PolarHBondContact O-N 2.84Å; A584-H587 WeakPolarHBondContact O-CB 3.47Å; A584-H587 PolarHBondContact O-N 2.87Å; V585-H587 PolarHBondContact O-N 3.15Å; H587-T589 VanDerWaalsContact C-N 3.3Å; H587-T589 PolarHBondContact O-N 2.8Å; H587-K590 PolarHBondContact O-N 3.42Å; H587-W591 WeakPolarHBondContact O-CB 3.3Å; H587-W591 PolarHBondContact O-N 3.43Å |
| 588 | V | 78.8 | Confident | 75.6 | Confident | 24 Ų | 24 | 69.1 Ų | 69.1 | 15% | 0.145 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -59.1 | -42.7 | 178.4 | 171.5 | 0 | 0 | 0 | 0 | 111.1 | A584 V585 W591 L592 Q709 | A584-V588 WeakPolarHBondContact O-CG2 3.46Å; A584-V588 PolarHBondContact O-N 3.15Å; V585-V588 PolarHBondContact O-N 3.27Å; V588-W591 PolarHBondContact O-N 2.98Å; V588-L592 HydrophobicContact CG1-CD1 4.12Å; V588-L592 WeakPolarHBondContact O-CG 3.45Å; V588-L592 PolarHBondContact O-N 2.95Å; V588-Q709 HydrophobicContact CG1-CG 4.35Å |
| 589 | T | 79.5 | Confident | 75.3 | Confident | 8 Ų | 8 | 70 Ų | 70 | 5% | 0.049 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -68.6 | -41.3 | -179.3 | 53.8 | 0 | 0 | 0 | 0 | 112.1 | V585 D586 H587 L592 E593 K629 L712 K716 | V585-T589 HydrophobicContact CG1-CG2 3.9Å; V585-T589 WeakPolarHBondContact O-CB 3.47Å; V585-T589 WeakPolarHBondContact O-CG2 3.33Å; V585-T589 PolarHBondContact O-N 2.53Å; V585-T589 PolarHBondContact O-OG1 3.38Å; D586-T589 VanDerWaalsContact CA-OG1 3.28Å; D586-T589 WeakPolarHBondContact CA-OG1 3.48Å; D586-T589 PolarHBondContact O-OG1 2.96Å; H587-T589 VanDerWaalsContact C-N 3.3Å; H587-T589 PolarHBondContact O-N 2.8Å; T589-L592 PolarHBondContact O-N 3.08Å; T589-E593 PolarHBondContact O-N 3.41Å; T589-K629 HydrophobicContact CG2-CD 4.14Å; T589-K629 HydrophobicContact CG2-CG 3.9Å; T589-L712 HydrophobicContact CG2-CD2 3.83Å; T589-K716 PolarHBondContact O-NZ 3.44Å |
| 590 | K | 81.1 | Confident | 74.6 | Confident | 138 Ų | 138 | 68.1 Ų | 68.1 | 60% | 0.6 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -63 | -42.2 | 173.1 | -79 | -179.7 | 179.4 | -178 | 0 | 111.9 | D586 H587 E593 Q594 | D586-K590 WeakPolarHBondContact O-CB 3.5Å; D586-K590 VanDerWaalsContact O-CG 3.29Å; D586-K590 WeakPolarHBondContact O-CG 3.39Å; D586-K590 PolarHBondContact O-N 3.09Å; H587-K590 PolarHBondContact O-N 3.42Å; K590-E593 WeakPolarHBondContact O-CB 3.37Å; K590-E593 PolarHBondContact O-N 3.49Å; K590-Q594 PolarHBondContact O-N 3.29Å |
| 591 | W | 77.4 | Confident | 73.9 | Confident | 131 Ų | 131 | 64.9 Ų | 64.9 | 50% | 0.496 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -61 | -48.4 | 177 | 179.3 | 84.8 | 0 | 0 | 0 | 111.7 | H587 V588 E593 Q594 Q595 | H587-W591 WeakPolarHBondContact O-CB 3.3Å; H587-W591 PolarHBondContact O-N 3.43Å; V588-W591 PolarHBondContact O-N 2.98Å; W591-E593 VanDerWaalsContact C-N 3.28Å; W591-E593 PolarHBondContact O-N 2.91Å; W591-Q594 PolarHBondContact O-N 3.03Å; W591-Q594 VanDerWaalsContact O-N 3.16Å; W591-Q595 HydrophobicContact CD2-CG 4.06Å; W591-Q595 HydrophobicContact CE3-CG 4.39Å; W591-Q595 HydrophobicContact CH2-CG 4.18Å; W591-Q595 HydrophobicContact CZ2-CG 3.83Å; W591-Q595 HydrophobicContact CZ3-CG 4.45Å; W591-Q595 WeakPolarHBondContact O-CG 3.23Å; W591-Q595 PolarHBondContact O-N 2.95Å |
| 592 | L | 74.8 | Confident | 73.3 | Confident | 5 Ų | 5 | 66.6 Ų | 66.6 | 3% | 0.026 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -57.5 | -41.4 | 174.2 | -73.7 | 172.1 | 0 | 0 | 0 | 111.7 | V588 T589 Q595 V596 L712 E713 K716 | V588-L592 HydrophobicContact CG1-CD1 4.12Å; V588-L592 WeakPolarHBondContact O-CG 3.45Å; V588-L592 PolarHBondContact O-N 2.95Å; T589-L592 PolarHBondContact O-N 3.08Å; L592-Q595 PolarHBondContact O-N 3.31Å; L592-V596 WeakPolarHBondContact O-CB 3.5Å; L592-V596 WeakPolarHBondContact O-CG2 3.4Å; L592-V596 PolarHBondContact O-N 3.27Å; L592-L712 HydrophobicContact CD1-CD2 3.86Å; L592-E713 HydrophobicContact CD2-CB 4.03Å; L592-E713 HydrophobicContact CD2-CG 4.08Å; L592-K716 HydrophobicContact CB-CD 4.22Å |
| 593 | E | 74.6 | Confident | 72.4 | Confident | 37 Ų | 37 | 71.1 Ų | 71.1 | 17% | 0.173 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -61.7 | -43.7 | 176.1 | -95.5 | 163.7 | -138.5 | 0 | 0 | 112.7 | T589 K590 W591 V596 K597 K616 K716 | T589-E593 PolarHBondContact O-N 3.41Å; K590-E593 WeakPolarHBondContact O-CB 3.37Å; K590-E593 PolarHBondContact O-N 3.49Å; W591-E593 VanDerWaalsContact C-N 3.28Å; W591-E593 PolarHBondContact O-N 2.91Å; E593-V596 PolarHBondContact O-N 2.86Å; E593-K597 WeakPolarHBondContact O-CB 3.25Å; E593-K597 WeakPolarHBondContact O-CG 3.44Å; E593-K597 PolarHBondContact O-N 3.25Å; E593-K616 IonicContact OE1-NZ 2.64Å; E593-K616 PolarHBondContact OE1-NZ 3.31Å; E593-K616 IonicContact OE2-NZ 3Å; E593-K616 PolarHBondContact OE2-NZ 2.89Å; E593-K716 VanDerWaalsContact CD-NZ 3.35Å; E593-K716 HydrophobicContact CG-CD 3.99Å; E593-K716 VanDerWaalsContact CG-NZ 3.32Å; E593-K716 VanDerWaalsContact OE1-CE 3.22Å; E593-K716 WeakPolarHBondContact OE1-CE 3.38Å; E593-K716 IonicContact OE1-NZ 3.07Å; E593-K716 PolarHBondContact OE1-NZ 3.49Å |
| 594 | Q | 76 | Confident | 71.5 | Confident | 133 Ų | 133 | 64.1 Ų | 64.1 | 62% | 0.621 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -66.4 | -40.8 | 178.1 | -73.9 | 175.5 | -1.5 | 0 | 0 | 112.2 | K590 W591 K597 G598 | K590-Q594 PolarHBondContact O-N 3.29Å; W591-Q594 PolarHBondContact O-N 3.03Å; W591-Q594 VanDerWaalsContact O-N 3.16Å; Q594-K597 PolarHBondContact O-N 2.78Å; Q594-G598 PolarHBondContact O-N 3.47Å |
| 595 | Q | 69.3 | Low | 71.1 | Confident | 77 Ų | 77 | 64 Ų | 64 | 36% | 0.36 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -62.9 | -44.8 | 177 | -70.6 | -59.7 | -45.6 | 0 | 0 | 111.7 | W591 L592 G598 K599 | W591-Q595 HydrophobicContact CD2-CG 4.06Å; W591-Q595 HydrophobicContact CE3-CG 4.39Å; W591-Q595 HydrophobicContact CH2-CG 4.18Å; W591-Q595 HydrophobicContact CZ2-CG 3.83Å; W591-Q595 HydrophobicContact CZ3-CG 4.45Å; W591-Q595 WeakPolarHBondContact O-CG 3.23Å; W591-Q595 PolarHBondContact O-N 2.95Å; L592-Q595 PolarHBondContact O-N 3.31Å; Q595-G598 PolarHBondContact O-N 2.76Å; Q595-K599 WeakPolarHBondContact O-CB 3.4Å; Q595-K599 VanDerWaalsContact O-CG 3.32Å; Q595-K599 WeakPolarHBondContact O-CG 3.44Å; Q595-K599 PolarHBondContact O-N 2.9Å |
| 596 | V | 69.3 | Low | 70.3 | Confident | 2 Ų | 2 | 70.2 Ų | 70.2 | 1% | 0.012 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -65.7 | -45 | 177.4 | 175.2 | 0 | 0 | 0 | 0 | 110.8 | L592 E593 G598 K599 L600 K716 M717 V720 | L592-V596 WeakPolarHBondContact O-CB 3.5Å; L592-V596 WeakPolarHBondContact O-CG2 3.4Å; L592-V596 PolarHBondContact O-N 3.27Å; E593-V596 PolarHBondContact O-N 2.86Å; V596-G598 PolarHBondContact O-N 3.04Å; V596-K599 PolarHBondContact O-N 2.83Å; V596-L600 PolarHBondContact O-N 2.69Å; V596-L600 VanDerWaalsContact O-N 3.11Å; V596-K716 HydrophobicContact CG2-CB 4.35Å; V596-M717 HydrophobicContact CB-SD 4.11Å; V596-M717 HydrophobicContact CG1-CG 4.27Å; V596-M717 HydrophobicContact CG1-SD 3.62Å; V596-M717 HydrophobicContact CG2-CG 3.94Å; V596-M717 HydrophobicContact CG2-SD 3.69Å; V596-V720 HydrophobicContact CG1-CB 3.83Å; V596-V720 HydrophobicContact CG1-CG1 4.28Å; V596-V720 HydrophobicContact CG1-CG2 3.56Å |
| 597 | K | 69.4 | Low | 69.6 | Low | 33 Ų | 33 | 68 Ų | 68 | 14% | 0.143 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -58 | -47.3 | 174.6 | -78.3 | -177.5 | 174.7 | -171.5 | 0 | 111.5 | E593 Q594 K599 L601 G602 L604 E609 | E593-K597 WeakPolarHBondContact O-CB 3.25Å; E593-K597 WeakPolarHBondContact O-CG 3.44Å; E593-K597 PolarHBondContact O-N 3.25Å; Q594-K597 PolarHBondContact O-N 2.78Å; K597-K599 VanDerWaalsContact C-N 3.34Å; K597-K599 PolarHBondContact O-N 3.04Å; K597-L601 HydrophobicContact CG-CD1 4.24Å; K597-L601 WeakPolarHBondContact O-CA 3.47Å; K597-L601 WeakPolarHBondContact O-CB 3.43Å; K597-L601 PolarHBondContact O-N 3.33Å; K597-G602 PolarHBondContact O-N 2.63Å; K597-L604 HydrophobicContact CB-CD1 4.45Å; K597-L604 HydrophobicContact CD-CD1 3.96Å; K597-L604 HydrophobicContact CG-CD1 4.2Å; K597-E609 IonicContact NZ-OE1 3.82Å; K597-E609 PolarHBondContact NZ-OE1 3.31Å |
| 598 | G | 62.6 | Low | 69.1 | Low | 55 Ų | 55 | 64.1 Ų | 64.1 | 57% | 0.567 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -63.2 | -37.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q594 Q595 V596 | Q594-G598 PolarHBondContact O-N 3.47Å; Q595-G598 PolarHBondContact O-N 2.76Å; V596-G598 PolarHBondContact O-N 3.04Å |
| 599 | K | 61.6 | Low | 68.7 | Low | 137 Ų | 137 | 66.7 Ų | 66.7 | 60% | 0.596 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -72.7 | -39 | 179.8 | -75.4 | 177.2 | -177 | 175.7 | 0 | 113.7 | Q595 V596 K597 | Q595-K599 WeakPolarHBondContact O-CB 3.4Å; Q595-K599 VanDerWaalsContact O-CG 3.32Å; Q595-K599 WeakPolarHBondContact O-CG 3.44Å; Q595-K599 PolarHBondContact O-N 2.9Å; V596-K599 PolarHBondContact O-N 2.83Å; K597-K599 VanDerWaalsContact C-N 3.34Å; K597-K599 PolarHBondContact O-N 3.04Å |
| 600 | L | 58.8 | Low | 68.3 | Low | 51 Ų | 51 | 70.7 Ų | 70.7 | 27% | 0.267 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -105.6 | -37 | -172.1 | -96.5 | 146.2 | 0 | 0 | 0 | 114.1 | V596 M717 V720 Q721 | V596-L600 PolarHBondContact O-N 2.69Å; V596-L600 VanDerWaalsContact O-N 3.11Å; L600-M717 HydrophobicContact CD1-CE 3.92Å; L600-M717 HydrophobicContact CD1-SD 3.85Å; L600-V720 HydrophobicContact CB-CG1 3.69Å; L600-V720 HydrophobicContact CD1-CG1 3.98Å; L600-V720 HydrophobicContact CG-CG1 4.32Å; L600-Q721 HydrophobicContact CD1-CG 4.32Å; L600-Q721 HydrophobicContact CD2-CG 4.32Å |
| 601 | L | 58.7 | Low | 67.9 | Low | 13 Ų | 13 | 64.2 Ų | 64.2 | 7% | 0.068 | 33% | 0.331 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.3 | -18.5 | -167.1 | -71 | 160 | 0 | 0 | 0 | 114.1 | K597 L604 R608 V720 F723 | K597-L601 HydrophobicContact CG-CD1 4.24Å; K597-L601 WeakPolarHBondContact O-CA 3.47Å; K597-L601 WeakPolarHBondContact O-CB 3.43Å; K597-L601 PolarHBondContact O-N 3.33Å; L601-L604 HydrophobicContact CB-CD1 4.05Å; L601-L604 HydrophobicContact CB-CD2 4.1Å; L601-L604 HydrophobicContact CB-CG 4.06Å; L601-L604 HydrophobicContact CD1-CD1 4.22Å; L601-L604 HydrophobicContact CD1-CD2 4.3Å; L601-L604 HydrophobicContact CD2-CD2 4.19Å; L601-L604 HydrophobicContact CG-CD2 4.44Å; L601-R608 VanDerWaalsContact CD2-NH2 3.33Å; L601-V720 HydrophobicContact CD1-CG1 3.56Å; L601-V720 HydrophobicContact CD1-CG2 4.28Å; L601-V720 HydrophobicContact CG-CG1 3.84Å; L601-F723 HydrophobicContact CD2-CD1 4.13Å; L601-F723 HydrophobicContact CD2-CE1 4.13Å |
| 602 | G | 63 | Low | 68.1 | Low | 41 Ų | 41 | 58.1 Ų | 58.1 | 42% | 0.423 | 31% | 0.307 | S | S | . | . | trans | 63.9 | -156.7 | -173.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | K597 L604 | K597-G602 PolarHBondContact O-N 2.63Å; G602-L604 PolarHBondContact O-N 3.42Å | ||
| 603 | Q | 60.6 | Low | 68.3 | Low | 200 Ų | 200 | 61.9 Ų | 61.9 | 94% | 0.935 | 33% | 0.328 | S | S | * | . | S | Bend | trans | -71.2 | 110.4 | 172.5 | -73.4 | -175.9 | -13.6 | 0 | 0 | 109.4 | ||
| 604 | L | 60.3 | Low | 68.4 | Low | 36 Ų | 36 | 62.4 Ų | 62.4 | 19% | 0.188 | 33% | 0.331 | C | S | . | . | trans | -76.5 | 136.7 | 177.9 | -72.4 | 137.4 | 0 | 0 | 0 | 110.3 | K597 L601 G602 R608 | K597-L604 HydrophobicContact CB-CD1 4.45Å; K597-L604 HydrophobicContact CD-CD1 3.96Å; K597-L604 HydrophobicContact CG-CD1 4.2Å; L601-L604 HydrophobicContact CB-CD1 4.05Å; L601-L604 HydrophobicContact CB-CD2 4.1Å; L601-L604 HydrophobicContact CB-CG 4.06Å; L601-L604 HydrophobicContact CD1-CD1 4.22Å; L601-L604 HydrophobicContact CD1-CD2 4.3Å; L601-L604 HydrophobicContact CD2-CD2 4.19Å; L601-L604 HydrophobicContact CG-CD2 4.44Å; G602-L604 PolarHBondContact O-N 3.42Å; L604-R608 HydrophobicContact CD2-CB 3.95Å; L604-R608 HydrophobicContact CD2-CG 3.54Å | ||
| 605 | S | 71.6 | Confident | 68.7 | Low | 34 Ų | 34 | 57.5 Ų | 57.5 | 24% | 0.238 | 31% | 0.308 | C | S | . | . | trans | -64.9 | 153.5 | 164.4 | 67.1 | 0 | 0 | 0 | 0 | 109.8 | G607 R608 E609 D826 | S605-G607 PolarHBondContact O-N 3.42Å; S605-R608 PolarHBondContact O-N 2.9Å; S605-R608 WeakPolarHBondContact OG-CB 3.34Å; S605-R608 PolarHBondContact OG-N 3.28Å; S605-E609 PolarHBondContact O-N 3.49Å; S605-D826 WeakPolarHBondContact CB-OD2 3.22Å; S605-D826 PolarHBondContact OG-OD2 2.88Å | ||
| 606 | L | 66.1 | Low | 69.4 | Low | 132 Ų | 132 | 55.7 Ų | 55.7 | 69% | 0.691 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -53.1 | -42.8 | -179.2 | -173.2 | 72.8 | 0 | 0 | 0 | 111.7 | R608 E609 E610 | L606-R608 PolarHBondContact O-N 3.3Å; L606-E609 PolarHBondContact O-N 3.12Å; L606-E610 PolarHBondContact O-N 3.27Å; L606-E610 VanDerWaalsContact O-N 3.09Å |
| 607 | G | 64.8 | Low | 69.8 | Low | 15 Ų | 15 | 63 Ų | 63 | 16% | 0.155 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -65.8 | -35.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | S605 A611 | S605-G607 PolarHBondContact O-N 3.42Å; G607-A611 PolarHBondContact O-N 2.83Å; G607-A611 VanDerWaalsContact O-N 3.07Å |
| 608 | R | 71.8 | Confident | 70.1 | Confident | 45 Ų | 45 | 66 Ų | 66 | 17% | 0.17 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -72.5 | -32.6 | 176.6 | -162.3 | 170.4 | 175.6 | -159.5 | 3.7 | 111.9 | L601 L604 S605 L606 F612 F723 W727 | L601-R608 VanDerWaalsContact CD2-NH2 3.33Å; L604-R608 HydrophobicContact CD2-CB 3.95Å; L604-R608 HydrophobicContact CD2-CG 3.54Å; S605-R608 PolarHBondContact O-N 2.9Å; S605-R608 WeakPolarHBondContact OG-CB 3.34Å; S605-R608 PolarHBondContact OG-N 3.28Å; L606-R608 PolarHBondContact O-N 3.3Å; R608-F612 PolarHBondContact O-N 3.16Å; R608-F723 HydrophobicContact CG-CE1 4.25Å; R608-F723 HydrophobicContact CG-CZ 4.14Å; R608-W727 HydrophobicContact CB-CH2 4.4Å; R608-W727 HydrophobicContact CB-CZ2 4.34Å; R608-W727 HydrophobicContact CG-CD2 4.36Å; R608-W727 HydrophobicContact CG-CH2 4.23Å; R608-W727 HydrophobicContact CG-CZ2 3.98Å |
| 609 | E | 71.3 | Confident | 71.2 | Confident | 77 Ų | 77 | 64.1 Ų | 64.1 | 36% | 0.36 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -67.5 | -41.5 | 173.3 | -179.1 | 156 | -135.4 | 0 | 0 | 112.5 | K597 S605 L606 F612 N613 | K597-E609 IonicContact NZ-OE1 3.82Å; K597-E609 PolarHBondContact NZ-OE1 3.31Å; S605-E609 PolarHBondContact O-N 3.49Å; L606-E609 PolarHBondContact O-N 3.12Å; E609-F612 PolarHBondContact O-N 2.86Å; E609-N613 PolarHBondContact O-N 3.37Å; E609-N613 VanDerWaalsContact O-N 3.08Å; E609-N613 PolarHBondContact O-ND2 3.34Å |
| 610 | E | 71.1 | Confident | 72.1 | Confident | 92 Ų | 92 | 63.1 Ų | 63.1 | 43% | 0.43 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -61.9 | -43.8 | 173.1 | -71 | -175 | 169.8 | 0 | 0 | 111.8 | L606 F612 N613 I614 F830 | L606-E610 PolarHBondContact O-N 3.27Å; L606-E610 VanDerWaalsContact O-N 3.09Å; E610-F612 VanDerWaalsContact C-N 3.31Å; E610-F612 PolarHBondContact O-N 3.25Å; E610-N613 PolarHBondContact O-N 2.9Å; E610-I614 WeakPolarHBondContact O-CG1 3.4Å; E610-I614 PolarHBondContact O-N 3.27Å; E610-I614 VanDerWaalsContact O-N 3.13Å; E610-F830 HydrophobicContact CB-CE2 3.81Å; E610-F830 HydrophobicContact CB-CZ 4.3Å; E610-F830 WeakPolarHBondContact OE2-CZ 3.31Å |
| 611 | A | 73.2 | Confident | 73.3 | Confident | 3 Ų | 3 | 63.4 Ų | 63.4 | 3% | 0.025 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -59.7 | -41.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | G607 I614 F615 F723 W726 W727 F830 | G607-A611 PolarHBondContact O-N 2.83Å; G607-A611 VanDerWaalsContact O-N 3.07Å; A611-I614 PolarHBondContact O-N 2.94Å; A611-F615 WeakPolarHBondContact O-CB 3.25Å; A611-F615 PolarHBondContact O-N 3.21Å; A611-F723 HydrophobicContact CB-CE2 4.2Å; A611-F723 HydrophobicContact CB-CZ 4.29Å; A611-W726 HydrophobicContact CB-CZ3 4.38Å; A611-W727 HydrophobicContact CB-CE3 4.09Å; A611-W727 HydrophobicContact CB-CH2 4.21Å; A611-W727 HydrophobicContact CB-CZ3 3.39Å; A611-F830 HydrophobicContact CB-CD2 4.18Å |
| 612 | F | 81.9 | Confident | 74.5 | Confident | 2 Ų | 2 | 63.9 Ų | 63.9 | 1% | 0.009 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -64 | -41.3 | 176.9 | -180 | -101.2 | 0 | 0 | 0 | 112.3 | R608 E609 E610 I614 F615 K616 L719 V720 F723 | R608-F612 PolarHBondContact O-N 3.16Å; E609-F612 PolarHBondContact O-N 2.86Å; E610-F612 VanDerWaalsContact C-N 3.31Å; E610-F612 PolarHBondContact O-N 3.25Å; F612-I614 VanDerWaalsContact C-N 3.33Å; F612-I614 PolarHBondContact O-N 3.42Å; F612-F615 PolarHBondContact O-N 2.77Å; F612-K616 HydrophobicContact CE1-CD 4.41Å; F612-K616 VanDerWaalsContact O-CB 3.29Å; F612-K616 WeakPolarHBondContact O-CB 3.46Å; F612-K616 PolarHBondContact O-N 3.27Å; F612-L719 HydrophobicContact CE1-CD2 4.45Å; F612-L719 HydrophobicContact CE2-CD2 3.96Å; F612-L719 HydrophobicContact CE2-CG 4.45Å; F612-L719 HydrophobicContact CZ-CD2 3.5Å; F612-L719 VanDerWaalsContact CZ-CD2 3.5Å; F612-L719 HydrophobicContact CZ-CG 4.44Å; F612-V720 HydrophobicContact CE2-CG2 3.8Å; F612-V720 HydrophobicContact CZ-CG2 3.9Å; F612-F723 VanDerWaalsContact CA-CE2 3.45Å; F612-F723 HydrophobicContact CB-CD2 4.39Å; F612-F723 HydrophobicContact CB-CE1 4.16Å; F612-F723 HydrophobicContact CB-CE2 3.93Å; F612-F723 HydrophobicContact CB-CZ 3.8Å; F612-F723 HydrophobicContact CD2-CB 4.02Å; F612-F723 AromaticContact CD2-CD1 3.68Å; F612-F723 HydrophobicContact CD2-CD1 3.68Å; F612-F723 AromaticContact CD2-CD2 3.9Å; F612-F723 HydrophobicContact CD2-CD2 3.9Å; F612-F723 HydrophobicContact CD2-CE1 4.05Å; F612-F723 HydrophobicContact CD2-CE2 4.26Å; F612-F723 AromaticContact CD2-CG 3.58Å; F612-F723 HydrophobicContact CD2-CG 3.58Å; F612-F723 HydrophobicContact CD2-CZ 4.33Å; F612-F723 HydrophobicContact CE2-CB 4.2Å; F612-F723 HydrophobicContact CE2-CD1 4.41Å; F612-F723 HydrophobicContact CE2-CG 4.24Å |
| 613 | N | 78.8 | Confident | 75.6 | Confident | 84 Ų | 84 | 67.8 Ų | 67.8 | 45% | 0.449 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -64.4 | -38.9 | 178.6 | -72.2 | -29.2 | 0 | 0 | 0 | 112.1 | E609 E610 Q617 | E609-N613 PolarHBondContact O-N 3.37Å; E609-N613 VanDerWaalsContact O-N 3.08Å; E609-N613 PolarHBondContact O-ND2 3.34Å; E610-N613 PolarHBondContact O-N 2.9Å; N613-Q617 PolarHBondContact O-N 3.39Å; N613-Q617 VanDerWaalsContact O-N 3.13Å |
| 614 | I | 77.4 | Confident | 76.8 | Confident | 49 Ų | 49 | 62.4 Ų | 62.4 | 25% | 0.251 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -66.4 | -48.9 | 174.3 | -63.7 | 168.2 | 0 | 0 | 0 | 110.1 | E610 A611 F612 K616 Q617 D618 F830 I837 | E610-I614 WeakPolarHBondContact O-CG1 3.4Å; E610-I614 PolarHBondContact O-N 3.27Å; E610-I614 VanDerWaalsContact O-N 3.13Å; A611-I614 PolarHBondContact O-N 2.94Å; F612-I614 VanDerWaalsContact C-N 3.33Å; F612-I614 PolarHBondContact O-N 3.42Å; I614-K616 VanDerWaalsContact C-N 3.27Å; I614-K616 PolarHBondContact O-N 2.9Å; I614-Q617 WeakPolarHBondContact O-CB 3.41Å; I614-Q617 PolarHBondContact O-N 3.31Å; I614-D618 PolarHBondContact O-N 2.94Å; I614-F830 HydrophobicContact CD1-CE2 4.09Å; I614-I837 HydrophobicContact CG2-CD1 3.78Å |
| 615 | F | 82.1 | Confident | 78.1 | Confident | 29 Ų | 29 | 60.9 Ų | 60.9 | 13% | 0.127 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -56.5 | -42.4 | 177.5 | -179.3 | -90.8 | 0 | 0 | 0 | 112.1 | A611 F612 Q617 D618 Y619 D722 F723 W726 | A611-F615 WeakPolarHBondContact O-CB 3.25Å; A611-F615 PolarHBondContact O-N 3.21Å; F612-F615 PolarHBondContact O-N 2.77Å; F615-Q617 VanDerWaalsContact C-N 3.33Å; F615-Q617 PolarHBondContact O-N 2.9Å; F615-D618 CarbonylContact O-C 3.59Å; F615-D618 PolarHBondContact O-N 2.82Å; F615-Y619 AromaticContact CE1-CD2 3.63Å; F615-Y619 HydrophobicContact CE1-CD2 3.63Å; F615-Y619 HydrophobicContact CE1-CE2 4.15Å; F615-Y619 HydrophobicContact CE1-CG 4.45Å; F615-Y619 AromaticContact CZ-CD2 3.92Å; F615-Y619 HydrophobicContact CZ-CD2 3.92Å; F615-Y619 HydrophobicContact CZ-CE2 4.33Å; F615-Y619 WeakPolarHBondContact O-CB 3.41Å; F615-Y619 PolarHBondContact O-N 2.93Å; F615-D722 HydrophobicContact CE1-CB 4.42Å; F615-D722 HydrophobicContact CZ-CB 4.06Å; F615-F723 HydrophobicContact CB-CD2 3.73Å; F615-F723 HydrophobicContact CB-CE2 4.21Å; F615-F723 HydrophobicContact CD1-CB 3.79Å; F615-F723 AromaticContact CD1-CD2 3.97Å; F615-F723 HydrophobicContact CD1-CD2 3.97Å; F615-F723 HydrophobicContact CD1-CG 4.36Å; F615-F723 HydrophobicContact CD2-CD2 4.23Å; F615-F723 HydrophobicContact CE1-CB 3.8Å; F615-F723 HydrophobicContact CG-CB 4.33Å; F615-F723 AromaticContact CG-CD2 3.72Å; F615-F723 HydrophobicContact CG-CD2 3.72Å; F615-F723 HydrophobicContact CZ-CB 4.34Å; F615-W726 HydrophobicContact CD2-CB 4.26Å; F615-W726 AromaticContact CD2-CD2 3.76Å; F615-W726 HydrophobicContact CD2-CD2 3.76Å; F615-W726 AromaticContact CD2-CE3 3.96Å; F615-W726 HydrophobicContact CD2-CE3 3.96Å; F615-W726 AromaticContact CD2-CG 3.9Å; F615-W726 HydrophobicContact CD2-CG 3.9Å; F615-W726 HydrophobicContact CE2-CB 3.72Å; F615-W726 HydrophobicContact CE2-CD2 4.11Å; F615-W726 AromaticContact CE2-CG 3.72Å; F615-W726 HydrophobicContact CE2-CG 3.72Å; F615-W726 HydrophobicContact CZ-CB 4.46Å |
| 616 | K | 82.4 | Confident | 78.8 | Confident | 39 Ų | 39 | 62.3 Ų | 62.3 | 17% | 0.17 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -62.8 | -37 | 176.6 | -179.6 | 179.9 | -178.9 | -177.6 | 0 | 112.5 | E593 F612 I614 D618 L719 | E593-K616 IonicContact OE1-NZ 2.64Å; E593-K616 PolarHBondContact OE1-NZ 3.31Å; E593-K616 IonicContact OE2-NZ 3Å; E593-K616 PolarHBondContact OE2-NZ 2.89Å; F612-K616 HydrophobicContact CE1-CD 4.41Å; F612-K616 VanDerWaalsContact O-CB 3.29Å; F612-K616 WeakPolarHBondContact O-CB 3.46Å; F612-K616 PolarHBondContact O-N 3.27Å; I614-K616 VanDerWaalsContact C-N 3.27Å; I614-K616 PolarHBondContact O-N 2.9Å; K616-D618 VanDerWaalsContact C-N 3.3Å; K616-L719 HydrophobicContact CB-CD1 4.5Å; K616-L719 HydrophobicContact CG-CD1 4.34Å; K616-L719 HydrophobicContact CG-CD2 4.44Å |
| 617 | Q | 78.5 | Confident | 80 | Confident | 156 Ų | 156 | 63 Ų | 63 | 73% | 0.729 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -65.9 | -35.4 | 177.3 | -173.3 | 174.4 | 13.4 | 0 | 0 | 111.9 | N613 I614 F615 | N613-Q617 PolarHBondContact O-N 3.39Å; N613-Q617 VanDerWaalsContact O-N 3.13Å; I614-Q617 WeakPolarHBondContact O-CB 3.41Å; I614-Q617 PolarHBondContact O-N 3.31Å; F615-Q617 VanDerWaalsContact C-N 3.33Å; F615-Q617 PolarHBondContact O-N 2.9Å |
| 618 | D | 76.3 | Confident | 81.1 | Confident | 97 Ų | 97 | 64 Ų | 64 | 52% | 0.519 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.2 | 7 | -176.9 | -64 | -29.3 | 0 | 0 | 0 | 113.4 | I614 F615 K616 | I614-D618 PolarHBondContact O-N 2.94Å; F615-D618 CarbonylContact O-C 3.59Å; F615-D618 PolarHBondContact O-N 2.82Å; K616-D618 VanDerWaalsContact C-N 3.3Å |
| 619 | Y | 84.6 | Confident | 81.9 | Confident | 14 Ų | 14 | 63.1 Ų | 63.1 | 6% | 0.055 | 32% | 0.315 | C | S | . | . | trans | -74.4 | 127.1 | -171.3 | -177.6 | -115.1 | 0 | 0 | 0 | 112.4 | F615 L621 Q622 I625 L719 D722 | F615-Y619 AromaticContact CE1-CD2 3.63Å; F615-Y619 HydrophobicContact CE1-CD2 3.63Å; F615-Y619 HydrophobicContact CE1-CE2 4.15Å; F615-Y619 HydrophobicContact CE1-CG 4.45Å; F615-Y619 AromaticContact CZ-CD2 3.92Å; F615-Y619 HydrophobicContact CZ-CD2 3.92Å; F615-Y619 HydrophobicContact CZ-CE2 4.33Å; F615-Y619 WeakPolarHBondContact O-CB 3.41Å; F615-Y619 PolarHBondContact O-N 2.93Å; Y619-L621 VanDerWaalsContact C-N 3.27Å; Y619-L621 HydrophobicContact CD1-CB 4.07Å; Y619-L621 HydrophobicContact CE1-CB 3.55Å; Y619-L621 HydrophobicContact CE1-CD1 4.39Å; Y619-L621 HydrophobicContact CE1-CG 4.48Å; Y619-L621 PolarHBondContact O-N 2.88Å; Y619-L621 VanDerWaalsContact O-N 3.09Å; Y619-Q622 HydrophobicContact CD1-CB 4.44Å; Y619-Q622 WeakPolarHBondContact O-CB 3.41Å; Y619-Q622 PolarHBondContact O-N 2.96Å; Y619-I625 HydrophobicContact CD1-CD1 4.44Å; Y619-I625 HydrophobicContact CE1-CD1 4.23Å; Y619-L719 HydrophobicContact CD1-CD1 3.31Å; Y619-L719 HydrophobicContact CD2-CD1 4.03Å; Y619-L719 HydrophobicContact CE1-CB 4.11Å; Y619-L719 HydrophobicContact CE1-CD1 3.7Å; Y619-L719 HydrophobicContact CE2-CD1 4.41Å; Y619-L719 HydrophobicContact CG-CD1 3.47Å; Y619-L719 VanDerWaalsContact CG-CD1 3.47Å; Y619-D722 HydrophobicContact CE2-CB 3.98Å; Y619-D722 WeakPolarHBondContact CE2-OD2 3.38Å; Y619-D722 PolarHBondContact OH-OD2 2.89Å | ||
| 620 | P | 80.6 | Confident | 82.7 | Confident | 117 Ų | 117 | 64.5 Ų | 64.5 | 76% | 0.76 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -29.5 | -172.6 | -27.9 | 34.7 | 0 | 0 | 0 | 116 | ||
| 621 | L | 84.4 | Confident | 83.7 | Confident | 57 Ų | 57 | 65 Ų | 65 | 30% | 0.298 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.6 | 11 | -179 | -66.5 | 157.6 | 0 | 0 | 0 | 112.6 | Y619 D623 E624 I625 | Y619-L621 VanDerWaalsContact C-N 3.27Å; Y619-L621 HydrophobicContact CD1-CB 4.07Å; Y619-L621 HydrophobicContact CE1-CB 3.55Å; Y619-L621 HydrophobicContact CE1-CD1 4.39Å; Y619-L621 HydrophobicContact CE1-CG 4.48Å; Y619-L621 PolarHBondContact O-N 2.88Å; Y619-L621 VanDerWaalsContact O-N 3.09Å; L621-D623 VanDerWaalsContact C-N 3.32Å; L621-D623 PolarHBondContact O-N 2.88Å; L621-E624 WeakPolarHBondContact CD2-OE2 3.49Å; L621-E624 WeakPolarHBondContact O-CB 3.37Å; L621-E624 PolarHBondContact O-N 3.4Å; L621-E624 VanDerWaalsContact O-N 3.14Å; L621-I625 PolarHBondContact O-N 3.23Å |
| 622 | Q | 84.5 | Confident | 84.5 | Confident | 22 Ų | 22 | 64.9 Ų | 64.9 | 10% | 0.103 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -63.2 | -38.1 | -177.8 | -173.7 | 51.7 | 40 | 0 | 0 | 112 | Y619 E624 I625 D626 | Y619-Q622 HydrophobicContact CD1-CB 4.44Å; Y619-Q622 WeakPolarHBondContact O-CB 3.41Å; Y619-Q622 PolarHBondContact O-N 2.96Å; Q622-E624 VanDerWaalsContact C-N 3.27Å; Q622-E624 PolarHBondContact O-N 2.81Å; Q622-I625 WeakPolarHBondContact O-CB 3.33Å; Q622-I625 PolarHBondContact O-N 3.41Å; Q622-I625 VanDerWaalsContact O-N 3.15Å; Q622-D626 PolarHBondContact NE2-OD1 2.84Å; Q622-D626 PolarHBondContact NE2-OD2 3.15Å; Q622-D626 PolarHBondContact O-N 2.77Å |
| 623 | D | 84.8 | Confident | 84.8 | Confident | 123 Ų | 123 | 66.8 Ų | 66.8 | 66% | 0.658 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -59.2 | -36.4 | 174.5 | -72 | -17.4 | 0 | 0 | 0 | 112.6 | L621 K627 | L621-D623 VanDerWaalsContact C-N 3.32Å; L621-D623 PolarHBondContact O-N 2.88Å; D623-K627 WeakPolarHBondContact O-CB 3.41Å; D623-K627 VanDerWaalsContact O-CG 3.25Å; D623-K627 WeakPolarHBondContact O-CG 3.2Å; D623-K627 PolarHBondContact O-N 2.88Å |
| 624 | E | 86.9 | Confident | 85.4 | Confident | 87 Ų | 87 | 66.4 Ų | 66.4 | 41% | 0.407 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -70.3 | -41.5 | 177.1 | -165.4 | -165.8 | 142.3 | 0 | 0 | 111.1 | L621 Q622 D626 K627 K628 | L621-E624 WeakPolarHBondContact CD2-OE2 3.49Å; L621-E624 WeakPolarHBondContact O-CB 3.37Å; L621-E624 PolarHBondContact O-N 3.4Å; L621-E624 VanDerWaalsContact O-N 3.14Å; Q622-E624 VanDerWaalsContact C-N 3.27Å; Q622-E624 PolarHBondContact O-N 2.81Å; E624-D626 VanDerWaalsContact C-N 3.32Å; E624-D626 PolarHBondContact O-N 2.8Å; E624-K627 PolarHBondContact O-N 2.99Å; E624-K628 WeakPolarHBondContact O-CG 3.32Å; E624-K628 PolarHBondContact O-N 3.43Å; E624-K628 WeakPolarHBondContact OE1-CE 3.28Å; E624-K628 IonicContact OE1-NZ 2.77Å; E624-K628 PolarHBondContact OE1-NZ 2.81Å |
| 625 | I | 86.2 | Confident | 86 | Confident | 4 Ų | 4 | 65.2 Ų | 65.2 | 2% | 0.021 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -60.1 | -45.5 | 174.9 | -68.1 | 172.5 | 0 | 0 | 0 | 109.8 | Y619 L621 Q622 K628 K629 A715 | Y619-I625 HydrophobicContact CD1-CD1 4.44Å; Y619-I625 HydrophobicContact CE1-CD1 4.23Å; L621-I625 PolarHBondContact O-N 3.23Å; Q622-I625 WeakPolarHBondContact O-CB 3.33Å; Q622-I625 PolarHBondContact O-N 3.41Å; Q622-I625 VanDerWaalsContact O-N 3.15Å; I625-K628 PolarHBondContact O-N 3.45Å; I625-K629 WeakPolarHBondContact O-CG 3.42Å; I625-K629 PolarHBondContact O-N 2.78Å; I625-A715 HydrophobicContact CD1-CB 4.29Å; I625-A715 HydrophobicContact CG1-CB 3.86Å |
| 626 | D | 87.1 | Confident | 86.4 | Confident | 65 Ų | 65 | 66.7 Ų | 66.7 | 35% | 0.348 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -72 | -36.1 | -177.6 | -69 | -28.8 | 0 | 0 | 0 | 112.6 | Q622 E624 K628 K629 E630 | Q622-D626 PolarHBondContact NE2-OD1 2.84Å; Q622-D626 PolarHBondContact NE2-OD2 3.15Å; Q622-D626 PolarHBondContact O-N 2.77Å; E624-D626 VanDerWaalsContact C-N 3.32Å; E624-D626 PolarHBondContact O-N 2.8Å; D626-K628 VanDerWaalsContact C-N 3.34Å; D626-K628 PolarHBondContact O-N 3.27Å; D626-K629 WeakPolarHBondContact O-CB 3.33Å; D626-K629 PolarHBondContact O-N 3.5Å; D626-K629 IonicContact OD1-NZ 3.31Å; D626-K629 PolarHBondContact OD1-NZ 3.4Å; D626-E630 PolarHBondContact O-N 3.38Å |
| 627 | K | 90.5 | Very high | 86.7 | Confident | 146 Ų | 146 | 66.2 Ų | 66.2 | 64% | 0.635 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -58.5 | -44.3 | 168.7 | -77.4 | 172.8 | -175.7 | 174.7 | 0 | 112 | D623 E624 E630 Q631 | D623-K627 WeakPolarHBondContact O-CB 3.41Å; D623-K627 VanDerWaalsContact O-CG 3.25Å; D623-K627 WeakPolarHBondContact O-CG 3.2Å; D623-K627 PolarHBondContact O-N 2.88Å; E624-K627 PolarHBondContact O-N 2.99Å; K627-E630 PolarHBondContact O-N 3.15Å; K627-Q631 WeakPolarHBondContact O-CG 3.5Å; K627-Q631 PolarHBondContact O-N 2.76Å |
| 628 | K | 89.3 | Confident | 87.2 | Confident | 35 Ų | 35 | 62.9 Ų | 62.9 | 15% | 0.152 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -66.3 | -38.1 | 176.6 | -73.7 | 172.3 | 171.8 | 164.4 | 0 | 112.1 | E624 I625 D626 E630 Q631 L632 L708 S711 L712 | E624-K628 WeakPolarHBondContact O-CG 3.32Å; E624-K628 PolarHBondContact O-N 3.43Å; E624-K628 WeakPolarHBondContact OE1-CE 3.28Å; E624-K628 IonicContact OE1-NZ 2.77Å; E624-K628 PolarHBondContact OE1-NZ 2.81Å; I625-K628 PolarHBondContact O-N 3.45Å; D626-K628 VanDerWaalsContact C-N 3.34Å; D626-K628 PolarHBondContact O-N 3.27Å; K628-E630 VanDerWaalsContact C-N 3.3Å; K628-E630 PolarHBondContact O-N 3.47Å; K628-Q631 PolarHBondContact O-N 3.22Å; K628-L632 WeakPolarHBondContact O-CB 3.36Å; K628-L632 PolarHBondContact O-N 2.91Å; K628-L708 HydrophobicContact CB-CD1 4.1Å; K628-L708 HydrophobicContact CG-CD1 4.08Å; K628-S711 WeakPolarHBondContact CE-OG 3.27Å; K628-S711 PolarHBondContact NZ-OG 3.45Å; K628-L712 HydrophobicContact CB-CD1 3.75Å |
| 629 | K | 87.9 | Confident | 87.9 | Confident | 27 Ų | 27 | 59.3 Ų | 59.3 | 12% | 0.117 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -59.9 | -42.1 | 171.9 | -70.5 | 179.8 | -167.7 | 150.6 | 0 | 111.1 | T589 I625 D626 L632 K633 L712 | T589-K629 HydrophobicContact CG2-CD 4.14Å; T589-K629 HydrophobicContact CG2-CG 3.9Å; I625-K629 WeakPolarHBondContact O-CG 3.42Å; I625-K629 PolarHBondContact O-N 2.78Å; D626-K629 WeakPolarHBondContact O-CB 3.33Å; D626-K629 PolarHBondContact O-N 3.5Å; D626-K629 IonicContact OD1-NZ 3.31Å; D626-K629 PolarHBondContact OD1-NZ 3.4Å; K629-L632 WeakPolarHBondContact O-CB 3.47Å; K629-L632 PolarHBondContact O-N 3.41Å; K629-K633 WeakPolarHBondContact O-CG 3.35Å; K629-K633 PolarHBondContact O-N 2.63Å; K629-L712 HydrophobicContact CG-CD1 3.79Å; K629-L712 HydrophobicContact CG-CD2 4.47Å |
| 630 | E | 89.1 | Confident | 88 | Confident | 107 Ų | 107 | 62 Ų | 62 | 50% | 0.5 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -67.9 | -41 | 179.7 | -160.4 | 57.8 | -146.3 | 0 | 0 | 112.1 | D626 K627 K628 L632 K633 S634 | D626-E630 PolarHBondContact O-N 3.38Å; K627-E630 PolarHBondContact O-N 3.15Å; K628-E630 VanDerWaalsContact C-N 3.3Å; K628-E630 PolarHBondContact O-N 3.47Å; E630-L632 VanDerWaalsContact C-N 3.27Å; E630-L632 PolarHBondContact O-N 3.01Å; E630-K633 WeakPolarHBondContact O-CB 3.41Å; E630-K633 PolarHBondContact O-N 3.47Å; E630-K633 VanDerWaalsContact O-N 3.17Å; E630-K633 WeakPolarHBondContact OE2-CD 2.94Å; E630-K633 IonicContact OE2-NZ 2.97Å; E630-K633 PolarHBondContact OE2-NZ 2.96Å; E630-S634 PolarHBondContact O-N 3.49Å |
| 631 | Q | 91.2 | Very high | 88.5 | Confident | 102 Ų | 102 | 60.1 Ų | 60.1 | 48% | 0.477 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -58.4 | -40.7 | 170.6 | -73.6 | 178.7 | -19.2 | 0 | 0 | 111.9 | K627 K628 K633 S634 L635 L708 | K627-Q631 WeakPolarHBondContact O-CG 3.5Å; K627-Q631 PolarHBondContact O-N 2.76Å; K628-Q631 PolarHBondContact O-N 3.22Å; Q631-K633 VanDerWaalsContact C-N 3.34Å; Q631-K633 PolarHBondContact O-N 3.31Å; Q631-S634 PolarHBondContact O-N 2.76Å; Q631-L635 WeakPolarHBondContact O-CG 3.24Å; Q631-L635 PolarHBondContact O-N 2.91Å; Q631-L708 HydrophobicContact CB-CD2 3.65Å |
| 632 | L | 90.5 | Very high | 88.8 | Confident | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -64.5 | -40.6 | 177.6 | -169.2 | 61 | 0 | 0 | 0 | 110.8 | V585 K628 K629 E630 S634 L635 Y636 V705 L708 Q709 | V585-L632 HydrophobicContact CG1-CB 4.36Å; V585-L632 HydrophobicContact CG1-CD2 4.13Å; V585-L632 HydrophobicContact CG1-CG 4.34Å; V585-L632 HydrophobicContact CG2-CB 4.42Å; V585-L632 HydrophobicContact CG2-CD2 4.48Å; V585-L632 HydrophobicContact CG2-CG 4.04Å; K628-L632 WeakPolarHBondContact O-CB 3.36Å; K628-L632 PolarHBondContact O-N 2.91Å; K629-L632 WeakPolarHBondContact O-CB 3.47Å; K629-L632 PolarHBondContact O-N 3.41Å; E630-L632 VanDerWaalsContact C-N 3.27Å; E630-L632 PolarHBondContact O-N 3.01Å; L632-S634 VanDerWaalsContact C-N 3.33Å; L632-S634 PolarHBondContact O-N 2.89Å; L632-L635 PolarHBondContact O-N 3.3Å; L632-Y636 HydrophobicContact CD1-CD2 3.94Å; L632-Y636 HydrophobicContact CD1-CE2 3.75Å; L632-Y636 HydrophobicContact CD2-CE2 4.44Å; L632-Y636 HydrophobicContact CG-CD2 3.91Å; L632-Y636 HydrophobicContact CG-CE2 3.91Å; L632-Y636 WeakPolarHBondContact O-CD2 3.35Å; L632-Y636 PolarHBondContact O-N 3.37Å; L632-V705 HydrophobicContact CD1-CG1 4.07Å; L632-L708 HydrophobicContact CB-CD2 3.74Å; L632-L708 HydrophobicContact CB-CG 4.39Å; L632-L708 HydrophobicContact CD1-CB 4.32Å; L632-L708 HydrophobicContact CD1-CD2 4.06Å; L632-L708 HydrophobicContact CD1-CG 4.37Å; L632-L708 VanDerWaalsContact N-CD2 3.31Å; L632-Q709 HydrophobicContact CD1-CG 4.08Å; L632-Q709 HydrophobicContact CD2-CG 4.1Å |
| 633 | K | 88.6 | Confident | 89.1 | Confident | 42 Ų | 42 | 58.6 Ų | 58.6 | 18% | 0.183 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -60.1 | -43.9 | 174.6 | -69.1 | 177.2 | -159.2 | 156.7 | 0 | 111.8 | V585 K629 E630 Q631 L635 Y636 A637 | V585-K633 HydrophobicContact CB-CG 3.67Å; V585-K633 HydrophobicContact CG1-CG 3.78Å; V585-K633 HydrophobicContact CG2-CB 4.26Å; V585-K633 HydrophobicContact CG2-CG 3.72Å; K629-K633 WeakPolarHBondContact O-CG 3.35Å; K629-K633 PolarHBondContact O-N 2.63Å; E630-K633 WeakPolarHBondContact O-CB 3.41Å; E630-K633 PolarHBondContact O-N 3.47Å; E630-K633 VanDerWaalsContact O-N 3.17Å; E630-K633 WeakPolarHBondContact OE2-CD 2.94Å; E630-K633 IonicContact OE2-NZ 2.97Å; E630-K633 PolarHBondContact OE2-NZ 2.96Å; Q631-K633 VanDerWaalsContact C-N 3.34Å; Q631-K633 PolarHBondContact O-N 3.31Å; K633-L635 PolarHBondContact O-N 2.98Å; K633-Y636 PolarHBondContact O-N 3.48Å; K633-A637 WeakPolarHBondContact O-CB 3.39Å; K633-A637 PolarHBondContact O-N 2.94Å |
| 634 | S | 90.2 | Very high | 89.4 | Confident | 77 Ų | 77 | 55 Ų | 55 | 54% | 0.538 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -61.3 | -43.1 | 177.7 | -172.3 | 0 | 0 | 0 | 0 | 112 | E630 Q631 L632 A637 E638 | E630-S634 PolarHBondContact O-N 3.49Å; Q631-S634 PolarHBondContact O-N 2.76Å; L632-S634 VanDerWaalsContact C-N 3.33Å; L632-S634 PolarHBondContact O-N 2.89Å; S634-A637 PolarHBondContact O-N 3.37Å; S634-E638 PolarHBondContact O-N 3.23Å |
| 635 | L | 90.6 | Very high | 89.6 | Confident | 23 Ų | 23 | 55.8 Ų | 55.8 | 12% | 0.12 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -66.8 | -39.6 | 177.7 | -68.9 | 172 | 0 | 0 | 0 | 112.6 | Q631 L632 K633 A637 E638 A639 L701 R704 V705 L708 | Q631-L635 WeakPolarHBondContact O-CG 3.24Å; Q631-L635 PolarHBondContact O-N 2.91Å; L632-L635 PolarHBondContact O-N 3.3Å; K633-L635 PolarHBondContact O-N 2.98Å; L635-A637 VanDerWaalsContact C-N 3.34Å; L635-E638 PolarHBondContact O-N 3.46Å; L635-A639 WeakPolarHBondContact O-CB 3.45Å; L635-A639 PolarHBondContact O-N 3.4Å; L635-L701 HydrophobicContact CD2-CD2 3.88Å; L635-R704 HydrophobicContact CD1-CB 4.5Å; L635-R704 HydrophobicContact CD1-CG 3.74Å; L635-R704 HydrophobicContact CD2-CG 3.96Å; L635-V705 HydrophobicContact CB-CG2 3.91Å; L635-V705 HydrophobicContact CD1-CG2 4.37Å; L635-L708 HydrophobicContact CD1-CD2 3.84Å |
| 636 | Y | 89.4 | Confident | 89.9 | Confident | 61 Ų | 61 | 57.7 Ų | 57.7 | 24% | 0.239 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -64.6 | -38.8 | 175.1 | -93.8 | -87.6 | 0 | 0 | 0 | 112 | A584 V585 L632 K633 A639 K640 V705 Q709 | A584-Y636 HydrophobicContact CB-CD1 4.21Å; A584-Y636 HydrophobicContact CB-CE1 4.47Å; V585-Y636 HydrophobicContact CG2-CD2 3.66Å; V585-Y636 HydrophobicContact CG2-CE2 4.27Å; V585-Y636 HydrophobicContact CG2-CG 4.08Å; L632-Y636 HydrophobicContact CD1-CD2 3.94Å; L632-Y636 HydrophobicContact CD1-CE2 3.75Å; L632-Y636 HydrophobicContact CD2-CE2 4.44Å; L632-Y636 HydrophobicContact CG-CD2 3.91Å; L632-Y636 HydrophobicContact CG-CE2 3.91Å; L632-Y636 WeakPolarHBondContact O-CD2 3.35Å; L632-Y636 PolarHBondContact O-N 3.37Å; K633-Y636 PolarHBondContact O-N 3.48Å; Y636-A639 PolarHBondContact O-N 2.96Å; Y636-K640 VanDerWaalsContact O-CB 3.32Å; Y636-K640 WeakPolarHBondContact O-CB 3.33Å; Y636-K640 PolarHBondContact O-N 3.12Å; Y636-V705 HydrophobicContact CD2-CG1 4.48Å; Y636-V705 HydrophobicContact CE2-CG1 3.75Å; Y636-Q709 PolarHBondContact OH-NE2 2.78Å |
| 637 | A | 88.6 | Confident | 90.1 | Very high | 28 Ų | 28 | 57.1 Ų | 57.1 | 23% | 0.231 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -63.7 | -42.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | S581 K633 S634 L635 K640 L641 | S581-A637 VanDerWaalsContact OG-CA 3.27Å; S581-A637 WeakPolarHBondContact OG-CA 3.39Å; K633-A637 WeakPolarHBondContact O-CB 3.39Å; K633-A637 PolarHBondContact O-N 2.94Å; S634-A637 PolarHBondContact O-N 3.37Å; L635-A637 VanDerWaalsContact C-N 3.34Å; A637-K640 PolarHBondContact O-N 2.83Å; A637-L641 WeakPolarHBondContact O-CB 3.31Å; A637-L641 PolarHBondContact O-N 3.01Å |
| 638 | E | 89.3 | Confident | 90.3 | Very high | 87 Ų | 87 | 56 Ų | 56 | 41% | 0.407 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -64.7 | -47.6 | 175.7 | -168.7 | -178.3 | 170 | 0 | 0 | 111.9 | S634 L635 K640 L641 Q642 L701 | S634-E638 PolarHBondContact O-N 3.23Å; L635-E638 PolarHBondContact O-N 3.46Å; E638-K640 VanDerWaalsContact C-N 3.26Å; E638-K640 PolarHBondContact O-N 3.44Å; E638-L641 WeakPolarHBondContact O-CB 3.35Å; E638-L641 PolarHBondContact O-N 2.81Å; E638-L641 VanDerWaalsContact O-N 3.16Å; E638-Q642 WeakPolarHBondContact O-CG 3.48Å; E638-Q642 PolarHBondContact O-N 3Å; E638-L701 HydrophobicContact CB-CD1 4.5Å; E638-L701 HydrophobicContact CB-CD2 4.27Å; E638-L701 HydrophobicContact CG-CD1 3.92Å; E638-L701 HydrophobicContact CG-CD2 4.15Å |
| 639 | A | 91.2 | Very high | 90.4 | Very high | 21 Ų | 21 | 54.5 Ų | 54.5 | 17% | 0.174 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -59 | -39.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | L635 Y636 Q642 G643 L698 | L635-A639 WeakPolarHBondContact O-CB 3.45Å; L635-A639 PolarHBondContact O-N 3.4Å; Y636-A639 PolarHBondContact O-N 2.96Å; A639-Q642 PolarHBondContact O-N 2.8Å; A639-G643 PolarHBondContact O-N 3.37Å; A639-L698 HydrophobicContact CB-CD1 3.87Å |
| 640 | K | 88.1 | Confident | 90.6 | Very high | 70 Ų | 70 | 59.9 Ų | 59.9 | 30% | 0.304 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -67.3 | -42 | 176.2 | -168.9 | 167.3 | -170.9 | 172.6 | 0 | 112.1 | L577 E580 Y636 A637 E638 Q642 G643 S644 | L577-K640 HydrophobicContact CD2-CD 3.83Å; L577-K640 HydrophobicContact CD2-CG 4Å; E580-K640 IonicContact OE1-NZ 2.69Å; E580-K640 PolarHBondContact OE1-NZ 3.35Å; E580-K640 VanDerWaalsContact OE1-NZ 3.16Å; E580-K640 WeakPolarHBondContact OE2-CE 3.49Å; E580-K640 IonicContact OE2-NZ 2.78Å; E580-K640 PolarHBondContact OE2-NZ 3.07Å; Y636-K640 VanDerWaalsContact O-CB 3.32Å; Y636-K640 WeakPolarHBondContact O-CB 3.33Å; Y636-K640 PolarHBondContact O-N 3.12Å; A637-K640 PolarHBondContact O-N 2.83Å; E638-K640 VanDerWaalsContact C-N 3.26Å; E638-K640 PolarHBondContact O-N 3.44Å; K640-Q642 VanDerWaalsContact C-N 3.35Å; K640-Q642 PolarHBondContact O-N 3.28Å; K640-G643 PolarHBondContact O-N 3.16Å; K640-S644 PolarHBondContact O-N 3.35Å; K640-S644 PolarHBondContact O-OG 3.41Å |
| 641 | L | 90.1 | Very high | 90.8 | Very high | 78 Ų | 78 | 60.7 Ų | 60.7 | 41% | 0.408 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -59.3 | -46 | 174.7 | 178.9 | 64.7 | 0 | 0 | 0 | 111.4 | A637 E638 S644 K645 | A637-L641 WeakPolarHBondContact O-CB 3.31Å; A637-L641 PolarHBondContact O-N 3.01Å; E638-L641 WeakPolarHBondContact O-CB 3.35Å; E638-L641 PolarHBondContact O-N 2.81Å; E638-L641 VanDerWaalsContact O-N 3.16Å; L641-S644 PolarHBondContact O-N 2.72Å; L641-K645 WeakPolarHBondContact O-CG 3.08Å; L641-K645 PolarHBondContact O-N 2.81Å |
| 642 | Q | 91.5 | Very high | 90.9 | Very high | 26 Ų | 26 | 59.5 Ų | 59.5 | 12% | 0.121 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -65.2 | -39.9 | 176.3 | -64 | -61.5 | -6.9 | 0 | 0 | 111.8 | E638 A639 K640 S644 K645 M646 L698 L701 | E638-Q642 WeakPolarHBondContact O-CG 3.48Å; E638-Q642 PolarHBondContact O-N 3Å; A639-Q642 PolarHBondContact O-N 2.8Å; K640-Q642 VanDerWaalsContact C-N 3.35Å; K640-Q642 PolarHBondContact O-N 3.28Å; Q642-S644 PolarHBondContact O-N 3.2Å; Q642-K645 PolarHBondContact O-N 3.36Å; Q642-M646 VanDerWaalsContact O-CB 3.27Å; Q642-M646 WeakPolarHBondContact O-CB 3.25Å; Q642-M646 PolarHBondContact O-N 2.91Å; Q642-L698 HydrophobicContact CB-CB 4.48Å; Q642-L701 HydrophobicContact CG-CD1 4.06Å |
| 643 | G | 90.5 | Very high | 90.9 | Very high | 21 Ų | 21 | 61.2 Ų | 61.2 | 22% | 0.216 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -60 | -43.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | A639 K640 M646 S647 | A639-G643 PolarHBondContact O-N 3.37Å; K640-G643 PolarHBondContact O-N 3.16Å; G643-M646 PolarHBondContact O-N 3.41Å; G643-S647 PolarHBondContact O-N 2.94Å |
| 644 | S | 90.2 | Very high | 91.1 | Very high | 49 Ų | 49 | 60.9 Ų | 60.9 | 34% | 0.343 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -66.3 | -41 | 175.5 | -64 | 0 | 0 | 0 | 0 | 112.5 | K640 L641 Q642 S647 K648 | K640-S644 PolarHBondContact O-N 3.35Å; K640-S644 PolarHBondContact O-OG 3.41Å; L641-S644 PolarHBondContact O-N 2.72Å; Q642-S644 PolarHBondContact O-N 3.2Å; S644-S647 PolarHBondContact O-N 2.74Å; S644-K648 WeakPolarHBondContact O-CG 3.5Å; S644-K648 PolarHBondContact O-N 3.11Å |
| 645 | K | 91.3 | Very high | 91.2 | Very high | 103 Ų | 103 | 59.7 Ų | 59.7 | 45% | 0.448 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -61.6 | -45 | 173.7 | -73.1 | 178.7 | 179.8 | -179 | 0 | 111.4 | L641 Q642 S647 K648 A649 | L641-K645 WeakPolarHBondContact O-CG 3.08Å; L641-K645 PolarHBondContact O-N 2.81Å; Q642-K645 PolarHBondContact O-N 3.36Å; K645-S647 PolarHBondContact O-N 3.05Å; K645-K648 PolarHBondContact O-N 3.03Å; K645-A649 WeakPolarHBondContact O-CB 3.23Å; K645-A649 PolarHBondContact O-N 2.78Å |
| 646 | M | 92.9 | Very high | 91.2 | Very high | 44 Ų | 44 | 59.2 Ų | 59.2 | 22% | 0.217 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -61.5 | -42.3 | 176.9 | -175.8 | -172.9 | 69.3 | 0 | 0 | 111.7 | Q642 G643 K650 Y691 Y695 L698 | Q642-M646 VanDerWaalsContact O-CB 3.27Å; Q642-M646 WeakPolarHBondContact O-CB 3.25Å; Q642-M646 PolarHBondContact O-N 2.91Å; G643-M646 PolarHBondContact O-N 3.41Å; M646-K650 VanDerWaalsContact O-CB 3.28Å; M646-K650 WeakPolarHBondContact O-CB 3.31Å; M646-K650 PolarHBondContact O-N 3.12Å; M646-Y691 HydrophobicContact CG-CD2 3.57Å; M646-Y691 HydrophobicContact CG-CE2 3.3Å; M646-Y691 HydrophobicContact SD-CE2 4.01Å; M646-Y695 HydrophobicContact SD-CD2 3.95Å; M646-L698 HydrophobicContact CE-CD2 4.28Å; M646-L698 HydrophobicContact SD-CD2 4.41Å |
| 647 | S | 91.9 | Very high | 91.3 | Very high | 53 Ų | 53 | 64.3 Ų | 64.3 | 37% | 0.371 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -63.2 | -48.1 | 176.4 | -161.9 | 0 | 0 | 0 | 0 | 111.5 | G643 S644 K645 A649 K650 E651 | G643-S647 PolarHBondContact O-N 2.94Å; S644-S647 PolarHBondContact O-N 2.74Å; K645-S647 PolarHBondContact O-N 3.05Å; S647-A649 PolarHBondContact O-N 3.5Å; S647-K650 WeakPolarHBondContact O-CB 3.46Å; S647-K650 PolarHBondContact O-N 2.79Å; S647-K650 VanDerWaalsContact O-N 3.16Å; S647-E651 WeakPolarHBondContact O-CG 3.23Å; S647-E651 PolarHBondContact O-N 2.69Å; S647-E651 PolarHBondContact OG-OE1 3.18Å; S647-E651 VanDerWaalsContact OG-OE1 3.05Å |
| 648 | K | 93.5 | Very high | 91.3 | Very high | 123 Ų | 123 | 67.9 Ų | 67.9 | 54% | 0.535 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -58.8 | -48.5 | 177.6 | -72.6 | 178.2 | 179.7 | -175.4 | 0 | 111.9 | S644 K645 K650 E651 E652 | S644-K648 WeakPolarHBondContact O-CG 3.5Å; S644-K648 PolarHBondContact O-N 3.11Å; K645-K648 PolarHBondContact O-N 3.03Å; K648-K650 VanDerWaalsContact C-N 3.29Å; K648-K650 PolarHBondContact O-N 3.32Å; K648-E651 PolarHBondContact O-N 3.1Å; K648-E652 WeakPolarHBondContact O-CG 3.31Å; K648-E652 PolarHBondContact O-N 3.47Å |
| 649 | A | 92.5 | Very high | 91.3 | Very high | 3 Ų | 3 | 68.4 Ų | 68.4 | 3% | 0.025 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -61.3 | -38.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | K645 S647 E652 V653 E690 | K645-A649 WeakPolarHBondContact O-CB 3.23Å; K645-A649 PolarHBondContact O-N 2.78Å; S647-A649 PolarHBondContact O-N 3.5Å; A649-E652 PolarHBondContact O-N 2.58Å; A649-V653 WeakPolarHBondContact O-CB 3.47Å; A649-V653 WeakPolarHBondContact O-CG2 3.48Å; A649-V653 PolarHBondContact O-N 2.86Å; A649-E690 HydrophobicContact CB-CB 4.36Å |
| 650 | K | 92.4 | Very high | 91 | Very high | 139 Ų | 139 | 68.1 Ų | 68.1 | 60% | 0.604 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -65.4 | -42.8 | 176.1 | -174.6 | -176.8 | 177.2 | -174.1 | 0 | 112.3 | M646 S647 K648 V653 G654 Y691 | M646-K650 VanDerWaalsContact O-CB 3.28Å; M646-K650 WeakPolarHBondContact O-CB 3.31Å; M646-K650 PolarHBondContact O-N 3.12Å; S647-K650 WeakPolarHBondContact O-CB 3.46Å; S647-K650 PolarHBondContact O-N 2.79Å; S647-K650 VanDerWaalsContact O-N 3.16Å; K648-K650 VanDerWaalsContact C-N 3.29Å; K648-K650 PolarHBondContact O-N 3.32Å; K650-V653 PolarHBondContact O-N 3.04Å; K650-G654 PolarHBondContact O-N 2.87Å; K650-Y691 HydrophobicContact CB-CD2 4.01Å; K650-Y691 HydrophobicContact CB-CE2 4.06Å; K650-Y691 HydrophobicContact CD-CE2 4.49Å; K650-Y691 HydrophobicContact CG-CE2 4.45Å |
| 651 | E | 92.9 | Very high | 90.8 | Very high | 125 Ų | 125 | 68.9 Ų | 68.9 | 58% | 0.584 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -63.5 | -43.9 | 176.3 | -74.6 | 164.3 | -143.6 | 0 | 0 | 111.3 | S647 K648 G654 A655 | S647-E651 WeakPolarHBondContact O-CG 3.23Å; S647-E651 PolarHBondContact O-N 2.69Å; S647-E651 PolarHBondContact OG-OE1 3.18Å; S647-E651 VanDerWaalsContact OG-OE1 3.05Å; K648-E651 PolarHBondContact O-N 3.1Å; E651-G654 CarbonylContact O-C 3.52Å; E651-G654 WeakPolarHBondContact O-CA 3.46Å; E651-G654 PolarHBondContact O-N 3.33Å; E651-G654 VanDerWaalsContact O-N 3.16Å; E651-A655 PolarHBondContact O-N 2.57Å |
| 652 | E | 93.1 | Very high | 90.6 | Very high | 76 Ų | 76 | 68.8 Ų | 68.8 | 36% | 0.355 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -64.4 | -43.1 | 176.2 | -71.4 | 174.3 | -168.6 | 0 | 0 | 112.1 | K648 A649 G654 A655 I656 K687 | K648-E652 WeakPolarHBondContact O-CG 3.31Å; K648-E652 PolarHBondContact O-N 3.47Å; A649-E652 PolarHBondContact O-N 2.58Å; E652-G654 VanDerWaalsContact C-N 3.26Å; E652-G654 PolarHBondContact O-N 2.87Å; E652-A655 PolarHBondContact O-N 3.23Å; E652-I656 VanDerWaalsContact O-CG1 3.31Å; E652-I656 WeakPolarHBondContact O-CG1 3.26Å; E652-I656 PolarHBondContact O-N 2.75Å; E652-K687 HydrophobicContact CB-CG 4.42Å; E652-K687 WeakPolarHBondContact OE2-CD 3.4Å; E652-K687 WeakPolarHBondContact OE2-CE 3.16Å; E652-K687 IonicContact OE2-NZ 3.12Å; E652-K687 PolarHBondContact OE2-NZ 2.95Å |
| 653 | V | 91.2 | Very high | 89.9 | Confident | 37 Ų | 37 | 69.5 Ų | 69.5 | 22% | 0.224 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -58 | -41.7 | 171.6 | 165.4 | 0 | 0 | 0 | 0 | 110.9 | A649 K650 R657 L684 K687 | A649-V653 WeakPolarHBondContact O-CB 3.47Å; A649-V653 WeakPolarHBondContact O-CG2 3.48Å; A649-V653 PolarHBondContact O-N 2.86Å; K650-V653 PolarHBondContact O-N 3.04Å; V653-R657 VanDerWaalsContact O-CB 3.27Å; V653-R657 WeakPolarHBondContact O-CB 3.4Å; V653-R657 PolarHBondContact O-N 3.39Å; V653-L684 HydrophobicContact CB-CD1 4.39Å; V653-L684 HydrophobicContact CG1-CD1 3.92Å; V653-L684 HydrophobicContact CG2-CD1 4.48Å; V653-K687 HydrophobicContact CG2-CB 3.7Å |
| 654 | G | 90.9 | Very high | 89.1 | Confident | 34 Ų | 34 | 73.4 Ų | 73.4 | 35% | 0.351 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -61 | -47.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | K650 E651 E652 R657 V658 | K650-G654 PolarHBondContact O-N 2.87Å; E651-G654 CarbonylContact O-C 3.52Å; E651-G654 WeakPolarHBondContact O-CA 3.46Å; E651-G654 PolarHBondContact O-N 3.33Å; E651-G654 VanDerWaalsContact O-N 3.16Å; E652-G654 VanDerWaalsContact C-N 3.26Å; E652-G654 PolarHBondContact O-N 2.87Å; G654-R657 WeakPolarHBondContact O-CB 2.97Å; G654-R657 PolarHBondContact O-N 2.81Å; G654-V658 WeakPolarHBondContact O-CG2 3.37Å; G654-V658 PolarHBondContact O-N 3.28Å |
| 655 | A | 93.4 | Very high | 88.4 | Confident | 52 Ų | 52 | 79.2 Ų | 79.2 | 43% | 0.43 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -63.1 | -46.6 | -180 | 0 | 0 | 0 | 0 | 0 | 112.4 | E651 E652 R657 V658 Q659 | E651-A655 PolarHBondContact O-N 2.57Å; E652-A655 PolarHBondContact O-N 3.23Å; A655-R657 VanDerWaalsContact C-N 3.28Å; A655-R657 PolarHBondContact O-N 3.35Å; A655-V658 PolarHBondContact O-N 3.04Å; A655-Q659 WeakPolarHBondContact O-CG 3.35Å; A655-Q659 PolarHBondContact O-N 2.6Å |
| 656 | I | 91.5 | Very high | 87.5 | Confident | 13 Ų | 13 | 78 Ų | 78 | 7% | 0.067 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -62.8 | -38 | 176.8 | -64.2 | 165.4 | 0 | 0 | 0 | 110.3 | E652 V658 Q659 L660 L680 Q683 L684 K687 | E652-I656 VanDerWaalsContact O-CG1 3.31Å; E652-I656 WeakPolarHBondContact O-CG1 3.26Å; E652-I656 PolarHBondContact O-N 2.75Å; I656-V658 VanDerWaalsContact C-N 3.35Å; I656-V658 PolarHBondContact O-N 2.83Å; I656-Q659 PolarHBondContact O-N 3.16Å; I656-L660 HydrophobicContact CG2-CD1 4.01Å; I656-L660 HydrophobicContact CG2-CG 4.34Å; I656-L660 WeakPolarHBondContact O-CB 3.17Å; I656-L660 WeakPolarHBondContact O-CG 3.14Å; I656-L660 PolarHBondContact O-N 2.78Å; I656-L680 HydrophobicContact CG2-CB 4.47Å; I656-L680 HydrophobicContact CG2-CD2 4.48Å; I656-L680 WeakPolarHBondContact CG2-O 3.44Å; I656-Q683 HydrophobicContact CD1-CB 4.05Å; I656-L684 HydrophobicContact CB-CD1 4.18Å; I656-L684 HydrophobicContact CG2-CB 3.85Å; I656-L684 HydrophobicContact CG2-CD1 4.05Å; I656-L684 HydrophobicContact CG2-CG 4.5Å; I656-K687 HydrophobicContact CD1-CG 4.05Å |
| 657 | R | 90.1 | Very high | 86.1 | Confident | 169 Ų | 169 | 81.6 Ų | 81.6 | 64% | 0.638 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -64.2 | -38.7 | 176.5 | -170.1 | 175.5 | -175.3 | -178 | 0.1 | 112.3 | V653 G654 A655 N661 | V653-R657 VanDerWaalsContact O-CB 3.27Å; V653-R657 WeakPolarHBondContact O-CB 3.4Å; V653-R657 PolarHBondContact O-N 3.39Å; G654-R657 WeakPolarHBondContact O-CB 2.97Å; G654-R657 PolarHBondContact O-N 2.81Å; A655-R657 VanDerWaalsContact C-N 3.28Å; A655-R657 PolarHBondContact O-N 3.35Å; R657-N661 WeakPolarHBondContact O-CB 3.42Å; R657-N661 VanDerWaalsContact O-CG 3.28Å; R657-N661 PolarHBondContact O-N 3.13Å; R657-N661 PolarHBondContact O-ND2 3.33Å |
| 658 | V | 89.8 | Confident | 84.8 | Confident | 102 Ų | 102 | 82.4 Ų | 82.4 | 62% | 0.618 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -65.6 | -44.2 | 173.9 | 173.5 | 0 | 0 | 0 | 0 | 110.8 | G654 A655 I656 N661 S662 | G654-V658 WeakPolarHBondContact O-CG2 3.37Å; G654-V658 PolarHBondContact O-N 3.28Å; A655-V658 PolarHBondContact O-N 3.04Å; I656-V658 VanDerWaalsContact C-N 3.35Å; I656-V658 PolarHBondContact O-N 2.83Å; V658-N661 PolarHBondContact O-N 2.64Å; V658-S662 PolarHBondContact O-N 3.37Å |
| 659 | Q | 87.6 | Confident | 83.5 | Confident | 98 Ų | 98 | 83.1 Ų | 83.1 | 46% | 0.458 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -61.1 | -46.1 | 176 | -71 | 177.7 | -12 | 0 | 0 | 112 | A655 I656 N661 S662 L663 L680 | A655-Q659 WeakPolarHBondContact O-CG 3.35Å; A655-Q659 PolarHBondContact O-N 2.6Å; I656-Q659 PolarHBondContact O-N 3.16Å; Q659-N661 PolarHBondContact O-N 2.7Å; Q659-S662 WeakPolarHBondContact O-CB 3.45Å; Q659-S662 PolarHBondContact O-N 2.66Å; Q659-S662 VanDerWaalsContact O-N 3.17Å; Q659-L663 WeakPolarHBondContact O-CD1 3.43Å; Q659-L663 PolarHBondContact O-N 2.73Å; Q659-L680 HydrophobicContact CB-CD1 4.37Å |
| 660 | L | 86 | Confident | 82.7 | Confident | 16 Ų | 16 | 86.9 Ų | 86.9 | 8% | 0.084 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -58.8 | -45.6 | 175.9 | -80.6 | 169.4 | 0 | 0 | 0 | 111.6 | I656 S662 L663 M664 L677 L680 R681 L684 | I656-L660 HydrophobicContact CG2-CD1 4.01Å; I656-L660 HydrophobicContact CG2-CG 4.34Å; I656-L660 WeakPolarHBondContact O-CB 3.17Å; I656-L660 WeakPolarHBondContact O-CG 3.14Å; I656-L660 PolarHBondContact O-N 2.78Å; L660-S662 VanDerWaalsContact C-N 3.3Å; L660-S662 PolarHBondContact O-N 2.81Å; L660-L663 PolarHBondContact O-N 2.94Å; L660-M664 WeakPolarHBondContact O-CB 3.46Å; L660-M664 VanDerWaalsContact O-CG 3.24Å; L660-M664 WeakPolarHBondContact O-CG 3.48Å; L660-M664 PolarHBondContact O-N 2.94Å; L660-L677 HydrophobicContact CD2-CD2 3.88Å; L660-L680 HydrophobicContact CD2-CB 3.65Å; L660-L680 HydrophobicContact CD2-CD1 4.22Å; L660-L680 HydrophobicContact CG-CB 4.04Å; L660-L680 HydrophobicContact CG-CD1 4.48Å; L660-R681 HydrophobicContact CD2-CG 4.22Å; L660-L684 HydrophobicContact CD1-CB 4.49Å; L660-L684 HydrophobicContact CD1-CD2 3.87Å |
| 661 | N | 84 | Confident | 82 | Confident | 86 Ų | 86 | 84.8 Ų | 84.8 | 46% | 0.46 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -62 | -38.5 | 176.8 | -75.5 | -15 | 0 | 0 | 0 | 112 | R657 V658 Q659 | R657-N661 WeakPolarHBondContact O-CB 3.42Å; R657-N661 VanDerWaalsContact O-CG 3.28Å; R657-N661 PolarHBondContact O-N 3.13Å; R657-N661 PolarHBondContact O-ND2 3.33Å; V658-N661 PolarHBondContact O-N 2.64Å; Q659-N661 PolarHBondContact O-N 2.7Å |
| 662 | S | 84.9 | Confident | 81.4 | Confident | 75 Ų | 75 | 86.1 Ų | 86.1 | 52% | 0.524 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -67.5 | -43.3 | 176.5 | -169 | 0 | 0 | 0 | 0 | 112.2 | V658 Q659 L660 M664 Q665 | V658-S662 PolarHBondContact O-N 3.37Å; Q659-S662 WeakPolarHBondContact O-CB 3.45Å; Q659-S662 PolarHBondContact O-N 2.66Å; Q659-S662 VanDerWaalsContact O-N 3.17Å; L660-S662 VanDerWaalsContact C-N 3.3Å; L660-S662 PolarHBondContact O-N 2.81Å; S662-M664 VanDerWaalsContact C-N 3.34Å; S662-Q665 PolarHBondContact O-N 2.97Å |
| 663 | L | 78.1 | Confident | 80.7 | Confident | 41 Ų | 41 | 83.5 Ų | 83.5 | 22% | 0.215 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -72.8 | -26.2 | 177.5 | -86 | 97.4 | 0 | 0 | 0 | 113 | Q659 L660 Q665 T666 I676 L677 L680 | Q659-L663 WeakPolarHBondContact O-CD1 3.43Å; Q659-L663 PolarHBondContact O-N 2.73Å; L660-L663 PolarHBondContact O-N 2.94Å; L663-Q665 PolarHBondContact O-N 2.7Å; L663-T666 WeakPolarHBondContact CA-OG1 3.19Å; L663-T666 PolarHBondContact O-N 2.91Å; L663-T666 PolarHBondContact O-OG1 2.86Å; L663-I676 HydrophobicContact CD2-CB 4.24Å; L663-I676 HydrophobicContact CD2-CG2 3.61Å; L663-L677 HydrophobicContact CB-CD2 3.69Å; L663-L677 HydrophobicContact CB-CG 4.5Å; L663-L677 HydrophobicContact CD2-CD2 4.44Å; L663-L680 HydrophobicContact CD1-CD1 4.01Å |
| 664 | M | 73.2 | Confident | 80.1 | Confident | 104 Ų | 104 | 86.7 Ų | 86.7 | 51% | 0.512 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -68.9 | -19.3 | 174.6 | -80.3 | -172.3 | 60.4 | 0 | 0 | 113.1 | L660 S662 L677 | L660-M664 WeakPolarHBondContact O-CB 3.46Å; L660-M664 VanDerWaalsContact O-CG 3.24Å; L660-M664 WeakPolarHBondContact O-CG 3.48Å; L660-M664 PolarHBondContact O-N 2.94Å; S662-M664 VanDerWaalsContact C-N 3.34Å; M664-L677 HydrophobicContact CG-CD2 4.44Å |
| 665 | Q | 75.4 | Confident | 79.9 | Confident | 171 Ų | 171 | 91.7 Ų | 91.7 | 80% | 0.799 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.6 | -14.2 | 174 | -67.1 | 176.6 | 11.7 | 0 | 0 | 113.1 | S662 L663 | S662-Q665 PolarHBondContact O-N 2.97Å; L663-Q665 PolarHBondContact O-N 2.7Å |
| 666 | T | 71.9 | Confident | 79.5 | Confident | 76 Ų | 76 | 93.2 Ų | 93.2 | 47% | 0.466 | 48% | 0.477 | S | S | . | . | S | Bend | trans | -86.6 | 154.9 | 174.1 | 26.7 | 0 | 0 | 0 | 0 | 112.7 | L663 Q668 | L663-T666 WeakPolarHBondContact CA-OG1 3.19Å; L663-T666 PolarHBondContact O-N 2.91Å; L663-T666 PolarHBondContact O-OG1 2.86Å; T666-Q668 PolarHBondContact O-N 3.36Å |
| 667 | D | 64.3 | Low | 79.1 | Confident | 120 Ų | 120 | 92.8 Ų | 92.8 | 64% | 0.642 | 48% | 0.475 | S | S | * | . | trans | -61.1 | 122.7 | -174.6 | -161.3 | -4.2 | 0 | 0 | 0 | 112.1 | N669 | D667-N669 PolarHBondContact O-N 2.87Š| ||
| 668 | Q | 64.2 | Low | 78.9 | Confident | 70 Ų | 70 | 88.2 Ų | 88.2 | 33% | 0.327 | 47% | 0.465 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -7.7 | -170.3 | -69.2 | -84.6 | -31.2 | 0 | 0 | 113.6 | T666 D670 Q674 | T666-Q668 PolarHBondContact O-N 3.36Å; Q668-D670 VanDerWaalsContact C-N 3.33Å; Q668-D670 PolarHBondContact O-N 2.96Å; Q668-Q674 PolarHBondContact O-NE2 2.95Å |
| 669 | N | 67 | Low | 78.9 | Confident | 138 Ų | 138 | 87.5 Ų | 87.5 | 74% | 0.738 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.2 | -13.2 | -172.7 | -72 | -30.3 | 0 | 0 | 0 | 114.1 | D667 S671 | D667-N669 PolarHBondContact O-N 2.87Å; N669-S671 PolarHBondContact O-N 2.97Å |
| 670 | D | 74.9 | Confident | 78.9 | Confident | 82 Ų | 82 | 83.5 Ų | 83.5 | 44% | 0.439 | 44% | 0.437 | S | S | . | . | trans | -80.2 | 120.3 | 174.4 | -171.8 | 7.3 | 0 | 0 | 0 | 110.6 | Q668 K672 T673 Q674 | Q668-D670 VanDerWaalsContact C-N 3.33Å; Q668-D670 PolarHBondContact O-N 2.96Å; D670-K672 PolarHBondContact O-N 3.01Å; D670-K672 VanDerWaalsContact O-N 3.15Å; D670-K672 PolarHBondContact OD1-N 2.87Å; D670-K672 VanDerWaalsContact OD1-N 3.15Å; D670-T673 WeakPolarHBondContact O-CB 3.46Å; D670-T673 PolarHBondContact O-N 3.35Å; D670-Q674 PolarHBondContact O-N 3.45Å | ||
| 671 | S | 78.4 | Confident | 79 | Confident | 95 Ų | 95 | 89.2 Ų | 89.2 | 66% | 0.664 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -53.5 | -32.8 | 175.2 | -177.1 | 0 | 0 | 0 | 0 | 111.8 | N669 Q674 H675 | N669-S671 PolarHBondContact O-N 2.97Å; S671-Q674 PolarHBondContact O-N 3.41Å; S671-H675 PolarHBondContact O-N 3.46Å |
| 672 | K | 79.7 | Confident | 79.4 | Confident | 153 Ų | 153 | 89.3 Ų | 89.3 | 67% | 0.665 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -65.3 | -42 | 175.1 | -63.4 | 178.9 | 178.8 | 176.3 | 0 | 112.3 | D670 H675 I676 | D670-K672 PolarHBondContact O-N 3.01Å; D670-K672 VanDerWaalsContact O-N 3.15Å; D670-K672 PolarHBondContact OD1-N 2.87Å; D670-K672 VanDerWaalsContact OD1-N 3.15Å; K672-H675 PolarHBondContact O-N 3.25Å; K672-I676 WeakPolarHBondContact O-CG1 3.44Å; K672-I676 PolarHBondContact O-N 3.24Å; K672-I676 VanDerWaalsContact O-N 3.15Å |
| 673 | T | 77.7 | Confident | 79.7 | Confident | 22 Ų | 22 | 89.4 Ų | 89.4 | 14% | 0.135 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -63.6 | -41.7 | 178.1 | -56.3 | 0 | 0 | 0 | 0 | 111.2 | D670 H675 I676 L677 | D670-T673 WeakPolarHBondContact O-CB 3.46Å; D670-T673 PolarHBondContact O-N 3.35Å; T673-H675 PolarHBondContact O-N 2.93Å; T673-I676 PolarHBondContact O-N 3.25Å; T673-L677 HydrophobicContact CG2-CD1 4.2Å; T673-L677 HydrophobicContact CG2-CG 4.49Å; T673-L677 WeakPolarHBondContact O-CG 3.45Å; T673-L677 PolarHBondContact O-N 2.77Å |
| 674 | Q | 78.6 | Confident | 80.4 | Confident | 103 Ų | 103 | 89.6 Ų | 89.6 | 48% | 0.481 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -63.8 | -39 | 177.4 | -66.5 | -169.2 | 1.1 | 0 | 0 | 112.7 | Q668 D670 S671 L677 T678 | Q668-Q674 PolarHBondContact O-NE2 2.95Å; D670-Q674 PolarHBondContact O-N 3.45Å; S671-Q674 PolarHBondContact O-N 3.41Å; Q674-L677 PolarHBondContact O-N 3.15Å; Q674-T678 PolarHBondContact O-N 3.41Å; Q674-T678 PolarHBondContact O-OG1 3.27Å |
| 675 | H | 86.3 | Confident | 81.1 | Confident | 140 Ų | 140 | 90.8 Ų | 90.8 | 65% | 0.648 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -63.3 | -44.1 | 175.4 | -170.4 | -77.4 | 0 | 0 | 0 | 111.6 | S671 K672 T673 T678 E679 | S671-H675 PolarHBondContact O-N 3.46Å; K672-H675 PolarHBondContact O-N 3.25Å; T673-H675 PolarHBondContact O-N 2.93Å; H675-T678 PolarHBondContact O-N 2.99Å; H675-E679 PolarHBondContact O-N 2.92Å |
| 676 | I | 85.3 | Confident | 82 | Confident | 84 Ų | 84 | 87.3 Ų | 87.3 | 43% | 0.431 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -64.7 | -42.2 | 177.9 | -63.3 | 165 | 0 | 0 | 0 | 111.2 | L663 K672 T673 T678 E679 L680 | L663-I676 HydrophobicContact CD2-CB 4.24Å; L663-I676 HydrophobicContact CD2-CG2 3.61Å; K672-I676 WeakPolarHBondContact O-CG1 3.44Å; K672-I676 PolarHBondContact O-N 3.24Å; K672-I676 VanDerWaalsContact O-N 3.15Å; T673-I676 PolarHBondContact O-N 3.25Å; I676-T678 VanDerWaalsContact C-N 3.31Å; I676-T678 PolarHBondContact O-N 2.96Å; I676-E679 PolarHBondContact O-N 3.33Å; I676-L680 HydrophobicContact CG2-CD1 4.17Å; I676-L680 HydrophobicContact CG2-CG 4.44Å; I676-L680 WeakPolarHBondContact O-CG 3.43Å; I676-L680 PolarHBondContact O-N 3.49Å |
| 677 | L | 83.9 | Confident | 83 | Confident | 4 Ų | 4 | 85.9 Ų | 85.9 | 2% | 0.021 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -61.8 | -39.4 | 176.6 | -75.7 | 172.7 | 0 | 0 | 0 | 112.2 | L660 L663 M664 T673 Q674 L680 R681 | L660-L677 HydrophobicContact CD2-CD2 3.88Å; L663-L677 HydrophobicContact CB-CD2 3.69Å; L663-L677 HydrophobicContact CB-CG 4.5Å; L663-L677 HydrophobicContact CD2-CD2 4.44Å; M664-L677 HydrophobicContact CG-CD2 4.44Å; T673-L677 HydrophobicContact CG2-CD1 4.2Å; T673-L677 HydrophobicContact CG2-CG 4.49Å; T673-L677 WeakPolarHBondContact O-CG 3.45Å; T673-L677 PolarHBondContact O-N 2.77Å; Q674-L677 PolarHBondContact O-N 3.15Å; L677-L680 PolarHBondContact O-N 3.33Å; L677-R681 WeakPolarHBondContact O-CB 3.47Å; L677-R681 VanDerWaalsContact O-CG 3.28Å; L677-R681 WeakPolarHBondContact O-CG 3.3Å; L677-R681 PolarHBondContact O-N 3.43Å |
| 678 | T | 84.9 | Confident | 84.4 | Confident | 73 Ų | 73 | 89 Ų | 89 | 45% | 0.448 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -66.4 | -43.1 | 178.2 | -53.5 | 0 | 0 | 0 | 0 | 110.9 | Q674 H675 I676 R681 N682 | Q674-T678 PolarHBondContact O-N 3.41Å; Q674-T678 PolarHBondContact O-OG1 3.27Å; H675-T678 PolarHBondContact O-N 2.99Å; I676-T678 VanDerWaalsContact C-N 3.31Å; I676-T678 PolarHBondContact O-N 2.96Å; T678-R681 PolarHBondContact O-N 2.92Å; T678-N682 PolarHBondContact O-N 3.44Å |
| 679 | E | 89.8 | Confident | 85.7 | Confident | 86 Ų | 86 | 87.3 Ų | 87.3 | 40% | 0.402 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -61.1 | -47 | 174.8 | 179.3 | 55.3 | -152.1 | 0 | 0 | 112.1 | H675 I676 R681 N682 Q683 | H675-E679 PolarHBondContact O-N 2.92Å; I676-E679 PolarHBondContact O-N 3.33Å; E679-R681 VanDerWaalsContact C-N 3.3Å; E679-R681 PolarHBondContact O-N 3.5Å; E679-N682 PolarHBondContact O-N 3.04Å; E679-Q683 WeakPolarHBondContact O-CG 3.5Å; E679-Q683 PolarHBondContact O-N 3.34Å; E679-Q683 PolarHBondContact OE1-NE2 3.26Å |
| 680 | L | 88.4 | Confident | 86.9 | Confident | 14 Ų | 14 | 84.4 Ų | 84.4 | 7% | 0.073 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -62.9 | -35.2 | 177.3 | -73.2 | 175.8 | 0 | 0 | 0 | 112.7 | I656 Q659 L660 L663 I676 L677 Q683 L684 | I656-L680 HydrophobicContact CG2-CB 4.47Å; I656-L680 HydrophobicContact CG2-CD2 4.48Å; I656-L680 WeakPolarHBondContact CG2-O 3.44Å; Q659-L680 HydrophobicContact CB-CD1 4.37Å; L660-L680 HydrophobicContact CD2-CB 3.65Å; L660-L680 HydrophobicContact CD2-CD1 4.22Å; L660-L680 HydrophobicContact CG-CB 4.04Å; L660-L680 HydrophobicContact CG-CD1 4.48Å; L663-L680 HydrophobicContact CD1-CD1 4.01Å; I676-L680 HydrophobicContact CG2-CD1 4.17Å; I676-L680 HydrophobicContact CG2-CG 4.44Å; I676-L680 WeakPolarHBondContact O-CG 3.43Å; I676-L680 PolarHBondContact O-N 3.49Å; L677-L680 PolarHBondContact O-N 3.33Å; L680-Q683 PolarHBondContact O-N 3.04Å; L680-L684 WeakPolarHBondContact O-CB 3.48Å; L680-L684 PolarHBondContact O-N 2.92Å |
| 681 | R | 87.9 | Confident | 87.8 | Confident | 136 Ų | 136 | 84.2 Ų | 84.2 | 51% | 0.513 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -65.6 | -42.3 | 174.4 | -76.4 | 172.1 | -178.8 | 174.1 | 2.2 | 111.7 | L660 L677 T678 E679 Q683 L684 E685 | L660-R681 HydrophobicContact CD2-CG 4.22Å; L677-R681 WeakPolarHBondContact O-CB 3.47Å; L677-R681 VanDerWaalsContact O-CG 3.28Å; L677-R681 WeakPolarHBondContact O-CG 3.3Å; L677-R681 PolarHBondContact O-N 3.43Å; T678-R681 PolarHBondContact O-N 2.92Å; E679-R681 VanDerWaalsContact C-N 3.3Å; E679-R681 PolarHBondContact O-N 3.5Å; R681-Q683 VanDerWaalsContact C-N 3.35Å; R681-L684 WeakPolarHBondContact O-CB 3.4Å; R681-L684 PolarHBondContact O-N 3.49Å; R681-E685 PolarHBondContact O-N 2.9Å |
| 682 | N | 91.9 | Very high | 88.5 | Confident | 88 Ų | 88 | 86.6 Ų | 86.6 | 47% | 0.471 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -62.9 | -42.1 | 175.8 | -68.2 | -18.1 | 0 | 0 | 0 | 111.3 | T678 E679 E685 L686 | T678-N682 PolarHBondContact O-N 3.44Å; E679-N682 PolarHBondContact O-N 3.04Å; N682-E685 PolarHBondContact O-N 3.04Å; N682-L686 PolarHBondContact O-N 2.67Å |
| 683 | Q | 92.5 | Very high | 89.1 | Confident | 77 Ų | 77 | 83.1 Ų | 83.1 | 36% | 0.36 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -64.5 | -40.9 | 174.9 | -68.8 | 179.7 | 15 | 0 | 0 | 112.2 | I656 E679 L680 R681 E685 L686 K687 | I656-Q683 HydrophobicContact CD1-CB 4.05Å; E679-Q683 WeakPolarHBondContact O-CG 3.5Å; E679-Q683 PolarHBondContact O-N 3.34Å; E679-Q683 PolarHBondContact OE1-NE2 3.26Å; L680-Q683 PolarHBondContact O-N 3.04Å; R681-Q683 VanDerWaalsContact C-N 3.35Å; Q683-E685 VanDerWaalsContact C-N 3.31Å; Q683-E685 PolarHBondContact O-N 2.97Å; Q683-L686 PolarHBondContact O-N 3.22Å; Q683-K687 WeakPolarHBondContact O-CG 3.48Å; Q683-K687 PolarHBondContact O-N 2.74Å |
| 684 | L | 91.7 | Very high | 89.8 | Confident | 46 Ų | 46 | 82.7 Ų | 82.7 | 24% | 0.241 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -59.6 | -43.4 | 175.7 | -176 | 69 | 0 | 0 | 0 | 111.3 | V653 I656 L660 L680 R681 K687 R688 | V653-L684 HydrophobicContact CB-CD1 4.39Å; V653-L684 HydrophobicContact CG1-CD1 3.92Å; V653-L684 HydrophobicContact CG2-CD1 4.48Å; I656-L684 HydrophobicContact CB-CD1 4.18Å; I656-L684 HydrophobicContact CG2-CB 3.85Å; I656-L684 HydrophobicContact CG2-CD1 4.05Å; I656-L684 HydrophobicContact CG2-CG 4.5Å; L660-L684 HydrophobicContact CD1-CB 4.49Å; L660-L684 HydrophobicContact CD1-CD2 3.87Å; L680-L684 WeakPolarHBondContact O-CB 3.48Å; L680-L684 PolarHBondContact O-N 2.92Å; R681-L684 WeakPolarHBondContact O-CB 3.4Å; R681-L684 PolarHBondContact O-N 3.49Å; L684-K687 PolarHBondContact O-N 3.37Å; L684-R688 VanDerWaalsContact O-CB 3.25Å; L684-R688 WeakPolarHBondContact O-CB 3.42Å; L684-R688 PolarHBondContact O-N 2.99Å |
| 685 | E | 89.3 | Confident | 90.5 | Very high | 129 Ų | 129 | 83.5 Ų | 83.5 | 60% | 0.603 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -63.8 | -46.9 | 177.6 | -172.9 | 171 | -174.5 | 0 | 0 | 111.3 | R681 N682 Q683 K687 R688 T689 | R681-E685 PolarHBondContact O-N 2.9Å; N682-E685 PolarHBondContact O-N 3.04Å; Q683-E685 VanDerWaalsContact C-N 3.31Å; Q683-E685 PolarHBondContact O-N 2.97Å; E685-K687 VanDerWaalsContact C-N 3.34Å; E685-K687 PolarHBondContact O-N 3.31Å; E685-R688 WeakPolarHBondContact O-CB 3.48Å; E685-R688 PolarHBondContact O-N 3.48Å; E685-R688 VanDerWaalsContact O-N 3.15Å; E685-T689 WeakPolarHBondContact O-CG2 3.3Å; E685-T689 PolarHBondContact O-N 2.97Å |
| 686 | L | 93.3 | Very high | 90.8 | Very high | 98 Ų | 98 | 79.3 Ų | 79.3 | 51% | 0.513 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -58.6 | -42.5 | 176.5 | -175.1 | 68.9 | 0 | 0 | 0 | 112.5 | N682 Q683 T689 E690 | N682-L686 PolarHBondContact O-N 2.67Å; Q683-L686 PolarHBondContact O-N 3.22Å; L686-T689 PolarHBondContact O-N 2.59Å; L686-T689 PolarHBondContact O-OG1 3Å; L686-E690 PolarHBondContact O-N 3.33Å; L686-E690 VanDerWaalsContact O-N 3.08Å |
| 687 | K | 92.9 | Very high | 91.1 | Very high | 46 Ų | 46 | 77.3 Ų | 77.3 | 20% | 0.2 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -73.2 | -29.4 | 177.6 | -64.1 | -55.8 | -177.5 | 163.7 | 0 | 113 | E652 V653 I656 Q683 L684 E685 E690 Y691 | E652-K687 HydrophobicContact CB-CG 4.42Å; E652-K687 WeakPolarHBondContact OE2-CD 3.4Å; E652-K687 WeakPolarHBondContact OE2-CE 3.16Å; E652-K687 IonicContact OE2-NZ 3.12Å; E652-K687 PolarHBondContact OE2-NZ 2.95Å; V653-K687 HydrophobicContact CG2-CB 3.7Å; I656-K687 HydrophobicContact CD1-CG 4.05Å; Q683-K687 WeakPolarHBondContact O-CG 3.48Å; Q683-K687 PolarHBondContact O-N 2.74Å; L684-K687 PolarHBondContact O-N 3.37Å; E685-K687 VanDerWaalsContact C-N 3.34Å; E685-K687 PolarHBondContact O-N 3.31Å; K687-E690 WeakPolarHBondContact CD-OE2 3.19Å; K687-E690 IonicContact NZ-OE1 2.71Å; K687-E690 PolarHBondContact NZ-OE1 2.89Å; K687-E690 IonicContact NZ-OE2 3.46Å; K687-E690 PolarHBondContact NZ-OE2 3.47Å; K687-E690 PolarHBondContact O-N 3.24Å; K687-Y691 WeakPolarHBondContact O-CB 3.32Å; K687-Y691 PolarHBondContact O-N 3.47Å |
| 688 | R | 92.9 | Very high | 91.5 | Very high | 184 Ų | 184 | 79.5 Ų | 79.5 | 69% | 0.694 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -68.3 | -35.8 | 172.3 | -170.2 | 177.8 | -179.8 | -176.8 | -0.7 | 111.8 | L684 E685 R692 | L684-R688 VanDerWaalsContact O-CB 3.25Å; L684-R688 WeakPolarHBondContact O-CB 3.42Å; L684-R688 PolarHBondContact O-N 2.99Å; E685-R688 WeakPolarHBondContact O-CB 3.48Å; E685-R688 PolarHBondContact O-N 3.48Å; E685-R688 VanDerWaalsContact O-N 3.15Å; R688-R692 WeakPolarHBondContact O-CB 3.24Å; R688-R692 PolarHBondContact O-N 2.88Å |
| 689 | T | 91.3 | Very high | 91.7 | Very high | 35 Ų | 35 | 82.7 Ų | 82.7 | 22% | 0.215 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -68.8 | -45.3 | 173 | 57.6 | 0 | 0 | 0 | 0 | 111.2 | E685 L686 Y691 R692 D693 | E685-T689 WeakPolarHBondContact O-CG2 3.3Å; E685-T689 PolarHBondContact O-N 2.97Å; L686-T689 PolarHBondContact O-N 2.59Å; L686-T689 PolarHBondContact O-OG1 3Å; T689-Y691 VanDerWaalsContact C-N 3.3Å; T689-Y691 PolarHBondContact O-N 3.31Å; T689-R692 WeakPolarHBondContact O-CB 3.22Å; T689-R692 PolarHBondContact O-N 2.86Å; T689-R692 VanDerWaalsContact O-N 3.08Å; T689-D693 WeakPolarHBondContact O-CB 3.49Å; T689-D693 PolarHBondContact O-N 3.47Å |
| 690 | E | 93.1 | Very high | 91.6 | Very high | 77 Ų | 77 | 85.1 Ų | 85.1 | 36% | 0.36 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -55.8 | -43 | 174.5 | -75.5 | 179.4 | -172.4 | 0 | 0 | 112.8 | A649 L686 K687 S694 | A649-E690 HydrophobicContact CB-CB 4.36Å; L686-E690 PolarHBondContact O-N 3.33Å; L686-E690 VanDerWaalsContact O-N 3.08Å; K687-E690 WeakPolarHBondContact CD-OE2 3.19Å; K687-E690 IonicContact NZ-OE1 2.71Å; K687-E690 PolarHBondContact NZ-OE1 2.89Å; K687-E690 IonicContact NZ-OE2 3.46Å; K687-E690 PolarHBondContact NZ-OE2 3.47Å; K687-E690 PolarHBondContact O-N 3.24Å; E690-S694 WeakPolarHBondContact O-CB 3.34Å; E690-S694 PolarHBondContact O-N 2.97Å; E690-S694 PolarHBondContact O-OG 2.96Å |
| 691 | Y | 93.7 | Very high | 91.8 | Very high | 78 Ų | 78 | 85.1 Ų | 85.1 | 31% | 0.306 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -61.7 | -48.8 | 174.5 | 173.3 | -94.6 | 0 | 0 | 0 | 111.6 | M646 K650 K687 T689 D693 S694 Y695 | M646-Y691 HydrophobicContact CG-CD2 3.57Å; M646-Y691 HydrophobicContact CG-CE2 3.3Å; M646-Y691 HydrophobicContact SD-CE2 4.01Å; K650-Y691 HydrophobicContact CB-CD2 4.01Å; K650-Y691 HydrophobicContact CB-CE2 4.06Å; K650-Y691 HydrophobicContact CD-CE2 4.49Å; K650-Y691 HydrophobicContact CG-CE2 4.45Å; K687-Y691 WeakPolarHBondContact O-CB 3.32Å; K687-Y691 PolarHBondContact O-N 3.47Å; T689-Y691 VanDerWaalsContact C-N 3.3Å; T689-Y691 PolarHBondContact O-N 3.31Å; Y691-D693 VanDerWaalsContact C-N 3.31Å; Y691-D693 PolarHBondContact O-N 3.48Å; Y691-S694 PolarHBondContact O-N 3.26Å; Y691-Y695 VanDerWaalsContact O-CB 3.28Å; Y691-Y695 WeakPolarHBondContact O-CB 3.49Å; Y691-Y695 PolarHBondContact O-N 3.02Å |
| 692 | R | 92.6 | Very high | 91.9 | Very high | 145 Ų | 145 | 84.7 Ų | 84.7 | 55% | 0.547 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -60 | -42.7 | -179.7 | -177.9 | -169.2 | 65.3 | -147.6 | -5.6 | 111.4 | R688 T689 Y695 S696 | R688-R692 WeakPolarHBondContact O-CB 3.24Å; R688-R692 PolarHBondContact O-N 2.88Å; T689-R692 WeakPolarHBondContact O-CB 3.22Å; T689-R692 PolarHBondContact O-N 2.86Å; T689-R692 VanDerWaalsContact O-N 3.08Å; R692-Y695 PolarHBondContact O-N 3.17Å; R692-S696 WeakPolarHBondContact O-CB 3.22Å; R692-S696 PolarHBondContact O-N 3.37Å |
| 693 | D | 93 | Very high | 91.8 | Very high | 80 Ų | 80 | 84 Ų | 84 | 43% | 0.428 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -73.1 | -39.4 | -175.9 | -59.4 | -11.3 | 0 | 0 | 0 | 110.9 | T689 Y691 Y695 S696 S697 | T689-D693 WeakPolarHBondContact O-CB 3.49Å; T689-D693 PolarHBondContact O-N 3.47Å; Y691-D693 VanDerWaalsContact C-N 3.31Å; Y691-D693 PolarHBondContact O-N 3.48Å; D693-Y695 VanDerWaalsContact C-N 3.35Å; D693-S696 PolarHBondContact O-N 2.77Å; D693-S697 PolarHBondContact O-N 2.96Å; D693-S697 PolarHBondContact O-OG 2.97Å |
| 694 | S | 92.5 | Very high | 91.7 | Very high | 14 Ų | 14 | 86.6 Ų | 86.6 | 10% | 0.098 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -63.7 | -40.5 | 172.2 | -56.1 | 0 | 0 | 0 | 0 | 111.6 | E690 Y691 S697 L698 | E690-S694 WeakPolarHBondContact O-CB 3.34Å; E690-S694 PolarHBondContact O-N 2.97Å; E690-S694 PolarHBondContact O-OG 2.96Å; Y691-S694 PolarHBondContact O-N 3.26Å; S694-S697 PolarHBondContact O-N 3.37Å; S694-L698 PolarHBondContact O-N 3.47Å |
| 695 | Y | 92.9 | Very high | 91.7 | Very high | 119 Ų | 119 | 85.2 Ų | 85.2 | 47% | 0.467 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -65.2 | -42.9 | 175.3 | 176.8 | -95.7 | 0 | 0 | 0 | 112 | M646 Y691 R692 D693 S697 L698 K699 | M646-Y695 HydrophobicContact SD-CD2 3.95Å; Y691-Y695 VanDerWaalsContact O-CB 3.28Å; Y691-Y695 WeakPolarHBondContact O-CB 3.49Å; Y691-Y695 PolarHBondContact O-N 3.02Å; R692-Y695 PolarHBondContact O-N 3.17Å; D693-Y695 VanDerWaalsContact C-N 3.35Å; Y695-S697 VanDerWaalsContact C-N 3.34Å; Y695-S697 PolarHBondContact O-N 3.35Å; Y695-L698 PolarHBondContact O-N 3.28Å; Y695-K699 HydrophobicContact CE1-CD 4.49Å; Y695-K699 WeakPolarHBondContact O-CB 3.34Å; Y695-K699 PolarHBondContact O-N 3.45Å |
| 696 | S | 92.2 | Very high | 91.6 | Very high | 52 Ų | 52 | 83 Ų | 83 | 36% | 0.364 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -60.6 | -44.7 | 176.1 | -162.2 | 0 | 0 | 0 | 0 | 111.2 | R692 D693 L698 K699 E700 | R692-S696 WeakPolarHBondContact O-CB 3.22Å; R692-S696 PolarHBondContact O-N 3.37Å; D693-S696 PolarHBondContact O-N 2.77Å; S696-L698 PolarHBondContact O-N 3.04Å; S696-K699 WeakPolarHBondContact O-CB 3.45Å; S696-K699 PolarHBondContact O-N 3.28Å; S696-E700 PolarHBondContact O-N 3.11Å |
| 697 | S | 92.7 | Very high | 91.5 | Very high | 42 Ų | 42 | 83.8 Ų | 83.8 | 29% | 0.294 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -60 | -44.3 | 176.1 | -55.1 | 0 | 0 | 0 | 0 | 111.7 | D693 S694 Y695 K699 E700 L701 | D693-S697 PolarHBondContact O-N 2.96Å; D693-S697 PolarHBondContact O-OG 2.97Å; S694-S697 PolarHBondContact O-N 3.37Å; Y695-S697 VanDerWaalsContact C-N 3.34Å; Y695-S697 PolarHBondContact O-N 3.35Å; S697-K699 VanDerWaalsContact C-N 3.31Å; S697-K699 PolarHBondContact O-N 3.36Å; S697-E700 PolarHBondContact O-N 3.36Å; S697-L701 WeakPolarHBondContact O-CD1 3.47Å; S697-L701 PolarHBondContact O-N 3.08Å |
| 698 | L | 91 | Very high | 91.4 | Very high | 50 Ų | 50 | 82 Ų | 82 | 26% | 0.262 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -65.3 | -35.9 | 177.5 | -172 | 64 | 0 | 0 | 0 | 112.3 | A639 Q642 M646 S694 Y695 S696 E700 L701 K702 | A639-L698 HydrophobicContact CB-CD1 3.87Å; Q642-L698 HydrophobicContact CB-CB 4.48Å; M646-L698 HydrophobicContact CE-CD2 4.28Å; M646-L698 HydrophobicContact SD-CD2 4.41Å; S694-L698 PolarHBondContact O-N 3.47Å; Y695-L698 PolarHBondContact O-N 3.28Å; S696-L698 PolarHBondContact O-N 3.04Å; L698-E700 VanDerWaalsContact C-N 3.33Å; L698-L701 PolarHBondContact O-N 2.7Å; L698-K702 PolarHBondContact O-N 3.24Å |
| 699 | K | 89.3 | Confident | 91.3 | Very high | 140 Ų | 140 | 75.6 Ų | 75.6 | 61% | 0.609 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -64.3 | -37.3 | 175.6 | -173.3 | -178.4 | 178 | -175.5 | 0 | 111.8 | Y695 S696 S697 P703 | Y695-K699 HydrophobicContact CE1-CD 4.49Å; Y695-K699 WeakPolarHBondContact O-CB 3.34Å; Y695-K699 PolarHBondContact O-N 3.45Å; S696-K699 WeakPolarHBondContact O-CB 3.45Å; S696-K699 PolarHBondContact O-N 3.28Å; S697-K699 VanDerWaalsContact C-N 3.31Å; S697-K699 PolarHBondContact O-N 3.36Å; K699-P703 VanDerWaalsContact O-CD 3.23Å; K699-P703 WeakPolarHBondContact O-CD 3.43Å |
| 700 | E | 89.4 | Confident | 91.1 | Very high | 138 Ų | 138 | 79.1 Ų | 79.1 | 65% | 0.645 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -74.4 | -32.6 | 176.5 | -70.8 | 174.5 | -163.7 | 0 | 0 | 113 | S696 S697 L698 P703 | S696-E700 PolarHBondContact O-N 3.11Å; S697-E700 PolarHBondContact O-N 3.36Å; L698-E700 VanDerWaalsContact C-N 3.33Å; E700-P703 VanDerWaalsContact O-CD 3.28Å; E700-P703 WeakPolarHBondContact O-CD 3.44Å; E700-P703 VanDerWaalsContact O-CG 3.32Å; E700-P703 WeakPolarHBondContact O-CG 3.38Å |
| 701 | L | 91.5 | Very high | 90.9 | Very high | 14 Ų | 14 | 76.8 Ų | 76.8 | 7% | 0.073 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -67.3 | -34.9 | 176.6 | -85.1 | 153.5 | 0 | 0 | 0 | 113.3 | L635 E638 Q642 S697 L698 R704 V705 | L635-L701 HydrophobicContact CD2-CD2 3.88Å; E638-L701 HydrophobicContact CB-CD1 4.5Å; E638-L701 HydrophobicContact CB-CD2 4.27Å; E638-L701 HydrophobicContact CG-CD1 3.92Å; E638-L701 HydrophobicContact CG-CD2 4.15Å; Q642-L701 HydrophobicContact CG-CD1 4.06Å; S697-L701 WeakPolarHBondContact O-CD1 3.47Å; S697-L701 PolarHBondContact O-N 3.08Å; L698-L701 PolarHBondContact O-N 2.7Å; L701-R704 WeakPolarHBondContact O-CB 3.32Å; L701-R704 PolarHBondContact O-N 3.17Å; L701-R704 VanDerWaalsContact O-N 3.14Å; L701-V705 PolarHBondContact O-N 2.91Å |
| 702 | K | 90 | Very high | 90.7 | Very high | 126 Ų | 126 | 73.1 Ų | 73.1 | 55% | 0.548 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -52.7 | -56.3 | -177.3 | -176.1 | -172.7 | 173.8 | 74.1 | 0 | 113.9 | L698 R704 V705 E706 | L698-K702 PolarHBondContact O-N 3.24Å; K702-R704 PolarHBondContact O-N 3.04Å; K702-V705 PolarHBondContact O-N 3.14Å; K702-E706 WeakPolarHBondContact CE-OE1 3.33Å; K702-E706 IonicContact NZ-OE1 2.96Å; K702-E706 PolarHBondContact NZ-OE1 2.86Å; K702-E706 WeakPolarHBondContact O-CG 3.34Å; K702-E706 PolarHBondContact O-N 3.48Å |
| 703 | P | 90.4 | Very high | 90.4 | Very high | 73 Ų | 73 | 69 Ų | 69 | 47% | 0.474 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -62.8 | -28.8 | 179.8 | 25 | -35.7 | 0 | 0 | 0 | 112.7 | K699 E700 H707 | K699-P703 VanDerWaalsContact O-CD 3.23Å; K699-P703 WeakPolarHBondContact O-CD 3.43Å; E700-P703 VanDerWaalsContact O-CD 3.28Å; E700-P703 WeakPolarHBondContact O-CD 3.44Å; E700-P703 VanDerWaalsContact O-CG 3.32Å; E700-P703 WeakPolarHBondContact O-CG 3.38Å; P703-H707 VanDerWaalsContact O-CB 3.3Å; P703-H707 WeakPolarHBondContact O-CB 3.32Å; P703-H707 PolarHBondContact O-N 3.36Å |
| 704 | R | 91 | Very high | 90.2 | Very high | 133 Ų | 133 | 70 Ų | 70 | 50% | 0.502 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -69.2 | -40.4 | 176.8 | -171.8 | 64.1 | -177 | 174.1 | 2.6 | 111.9 | L635 L701 K702 L708 | L635-R704 HydrophobicContact CD1-CB 4.5Å; L635-R704 HydrophobicContact CD1-CG 3.74Å; L635-R704 HydrophobicContact CD2-CG 3.96Å; L701-R704 WeakPolarHBondContact O-CB 3.32Å; L701-R704 PolarHBondContact O-N 3.17Å; L701-R704 VanDerWaalsContact O-N 3.14Å; K702-R704 PolarHBondContact O-N 3.04Å; R704-L708 WeakPolarHBondContact O-CB 3.47Å; R704-L708 PolarHBondContact O-N 3.08Å; R704-L708 VanDerWaalsContact O-N 3.15Å |
| 705 | V | 90 | Very high | 89.9 | Confident | 17 Ų | 17 | 70.1 Ų | 70.1 | 10% | 0.103 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -62.9 | -48 | 173.5 | 171.6 | 0 | 0 | 0 | 0 | 110.4 | L632 L635 Y636 L701 K702 H707 L708 Q709 | L632-V705 HydrophobicContact CD1-CG1 4.07Å; L635-V705 HydrophobicContact CB-CG2 3.91Å; L635-V705 HydrophobicContact CD1-CG2 4.37Å; Y636-V705 HydrophobicContact CD2-CG1 4.48Å; Y636-V705 HydrophobicContact CE2-CG1 3.75Å; L701-V705 PolarHBondContact O-N 2.91Å; K702-V705 PolarHBondContact O-N 3.14Å; V705-H707 PolarHBondContact O-N 2.58Å; V705-L708 PolarHBondContact O-N 3.26Å; V705-Q709 HydrophobicContact CG1-CG 4.4Å; V705-Q709 WeakPolarHBondContact O-CB 3.46Å; V705-Q709 WeakPolarHBondContact O-CG 3.34Å; V705-Q709 PolarHBondContact O-N 3.46Å |
| 706 | E | 88.7 | Confident | 89.5 | Confident | 82 Ų | 82 | 64.7 Ų | 64.7 | 38% | 0.383 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -62.1 | -44.3 | -179.7 | -70.5 | 172.2 | 173.6 | 0 | 0 | 111.8 | K702 L708 Q709 H710 | K702-E706 WeakPolarHBondContact CE-OE1 3.33Å; K702-E706 IonicContact NZ-OE1 2.96Å; K702-E706 PolarHBondContact NZ-OE1 2.86Å; K702-E706 WeakPolarHBondContact O-CG 3.34Å; K702-E706 PolarHBondContact O-N 3.48Å; E706-L708 VanDerWaalsContact C-N 3.34Å; E706-L708 PolarHBondContact O-N 3.16Å; E706-Q709 PolarHBondContact O-N 2.89Å; E706-H710 PolarHBondContact O-N 3.08Å |
| 707 | H | 91.1 | Very high | 89 | Confident | 115 Ų | 115 | 64.7 Ų | 64.7 | 53% | 0.532 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -59.2 | -44.1 | 175.9 | 177.8 | 73.7 | 0 | 0 | 0 | 112.3 | P703 V705 H710 S711 | P703-H707 VanDerWaalsContact O-CB 3.3Å; P703-H707 WeakPolarHBondContact O-CB 3.32Å; P703-H707 PolarHBondContact O-N 3.36Å; V705-H707 PolarHBondContact O-N 2.58Å; H707-H710 PolarHBondContact O-N 3.01Å; H707-S711 WeakPolarHBondContact O-CB 3.23Å; H707-S711 PolarHBondContact O-N 3.49Å |
| 708 | L | 90.7 | Very high | 88.7 | Confident | 8 Ų | 8 | 69.3 Ų | 69.3 | 4% | 0.042 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -71.3 | -36.3 | -179.4 | -169.5 | 61.7 | 0 | 0 | 0 | 112 | K628 Q631 L632 L635 R704 V705 E706 S711 L712 | K628-L708 HydrophobicContact CB-CD1 4.1Å; K628-L708 HydrophobicContact CG-CD1 4.08Å; Q631-L708 HydrophobicContact CB-CD2 3.65Å; L632-L708 HydrophobicContact CB-CD2 3.74Å; L632-L708 HydrophobicContact CB-CG 4.39Å; L632-L708 HydrophobicContact CD1-CB 4.32Å; L632-L708 HydrophobicContact CD1-CD2 4.06Å; L632-L708 HydrophobicContact CD1-CG 4.37Å; L632-L708 VanDerWaalsContact N-CD2 3.31Å; L635-L708 HydrophobicContact CD1-CD2 3.84Å; R704-L708 WeakPolarHBondContact O-CB 3.47Å; R704-L708 PolarHBondContact O-N 3.08Å; R704-L708 VanDerWaalsContact O-N 3.15Å; V705-L708 PolarHBondContact O-N 3.26Å; E706-L708 VanDerWaalsContact C-N 3.34Å; E706-L708 PolarHBondContact O-N 3.16Å; L708-S711 PolarHBondContact O-N 3.02Å; L708-L712 WeakPolarHBondContact O-CB 3.28Å; L708-L712 PolarHBondContact O-N 3.35Å |
| 709 | Q | 89.8 | Confident | 88.4 | Confident | 49 Ų | 49 | 67.1 Ų | 67.1 | 23% | 0.229 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -60.9 | -47.9 | 172.3 | -76.4 | 176.3 | -17.2 | 0 | 0 | 111.7 | V588 L632 Y636 V705 E706 S711 L712 E713 | V588-Q709 HydrophobicContact CG1-CG 4.35Å; L632-Q709 HydrophobicContact CD1-CG 4.08Å; L632-Q709 HydrophobicContact CD2-CG 4.1Å; Y636-Q709 PolarHBondContact OH-NE2 2.78Å; V705-Q709 HydrophobicContact CG1-CG 4.4Å; V705-Q709 WeakPolarHBondContact O-CB 3.46Å; V705-Q709 WeakPolarHBondContact O-CG 3.34Å; V705-Q709 PolarHBondContact O-N 3.46Å; E706-Q709 PolarHBondContact O-N 2.89Å; Q709-S711 VanDerWaalsContact C-N 3.34Å; Q709-S711 PolarHBondContact O-N 3.44Å; Q709-L712 WeakPolarHBondContact O-CB 3.47Å; Q709-L712 PolarHBondContact O-N 3.49Å; Q709-L712 VanDerWaalsContact O-N 3.12Å; Q709-E713 PolarHBondContact O-N 3.39Å |
| 710 | H | 87.8 | Confident | 88.1 | Confident | 109 Ų | 109 | 60.6 Ų | 60.6 | 51% | 0.505 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -61.4 | -42.6 | 176.7 | -179.4 | -97.6 | 0 | 0 | 0 | 111.7 | E706 H707 L712 E713 L714 | E706-H710 PolarHBondContact O-N 3.08Å; H707-H710 PolarHBondContact O-N 3.01Å; H710-L712 VanDerWaalsContact C-N 3.28Å; H710-L712 PolarHBondContact O-N 3.43Å; H710-E713 PolarHBondContact O-N 3.05Å; H710-L714 WeakPolarHBondContact O-CG 3.42Å; H710-L714 PolarHBondContact O-N 3.32Å |
| 711 | S | 89.5 | Confident | 87.9 | Confident | 29 Ų | 29 | 58.8 Ų | 58.8 | 20% | 0.203 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60.5 | -37.9 | 174.1 | -169.6 | 0 | 0 | 0 | 0 | 112.5 | K628 H707 L708 Q709 A715 | K628-S711 WeakPolarHBondContact CE-OG 3.27Å; K628-S711 PolarHBondContact NZ-OG 3.45Å; H707-S711 WeakPolarHBondContact O-CB 3.23Å; H707-S711 PolarHBondContact O-N 3.49Å; L708-S711 PolarHBondContact O-N 3.02Å; Q709-S711 VanDerWaalsContact C-N 3.34Å; Q709-S711 PolarHBondContact O-N 3.44Å; S711-A715 PolarHBondContact O-N 2.94Å; S711-A715 VanDerWaalsContact O-N 3.1Å |
| 712 | L | 89 | Confident | 87.5 | Confident | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -70.6 | -37.6 | 177.9 | -153.4 | 113 | 0 | 0 | 0 | 112.2 | T589 L592 K628 K629 L708 Q709 H710 A715 K716 | T589-L712 HydrophobicContact CG2-CD2 3.83Å; L592-L712 HydrophobicContact CD1-CD2 3.86Å; K628-L712 HydrophobicContact CB-CD1 3.75Å; K629-L712 HydrophobicContact CG-CD1 3.79Å; K629-L712 HydrophobicContact CG-CD2 4.47Å; L708-L712 WeakPolarHBondContact O-CB 3.28Å; L708-L712 PolarHBondContact O-N 3.35Å; Q709-L712 WeakPolarHBondContact O-CB 3.47Å; Q709-L712 PolarHBondContact O-N 3.49Å; Q709-L712 VanDerWaalsContact O-N 3.12Å; H710-L712 VanDerWaalsContact C-N 3.28Å; H710-L712 PolarHBondContact O-N 3.43Å; L712-A715 PolarHBondContact O-N 3.16Å; L712-K716 HydrophobicContact CD2-CD 4.07Å; L712-K716 WeakPolarHBondContact O-CB 3.45Å; L712-K716 WeakPolarHBondContact O-CG 3.5Å; L712-K716 PolarHBondContact O-N 3.05Å |
| 713 | E | 86.7 | Confident | 87.2 | Confident | 58 Ų | 58 | 54.9 Ų | 54.9 | 27% | 0.271 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -60.8 | -48.7 | 173.5 | -172.8 | 174.8 | -175.1 | 0 | 0 | 110.8 | L592 Q709 H710 A715 K716 M717 | L592-E713 HydrophobicContact CD2-CB 4.03Å; L592-E713 HydrophobicContact CD2-CG 4.08Å; Q709-E713 PolarHBondContact O-N 3.39Å; H710-E713 PolarHBondContact O-N 3.05Å; E713-A715 PolarHBondContact O-N 2.96Å; E713-K716 PolarHBondContact O-N 3.26Å; E713-K716 VanDerWaalsContact O-N 3.16Å; E713-M717 WeakPolarHBondContact O-CG 3.4Å; E713-M717 PolarHBondContact O-N 2.9Å |
| 714 | L | 87 | Confident | 86.8 | Confident | 101 Ų | 101 | 54.4 Ų | 54.4 | 53% | 0.529 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -59.9 | -43.1 | 177.1 | -69.9 | 177.6 | 0 | 0 | 0 | 112.6 | H710 K716 M717 R718 | H710-L714 WeakPolarHBondContact O-CG 3.42Å; H710-L714 PolarHBondContact O-N 3.32Å; L714-K716 VanDerWaalsContact C-N 3.3Å; L714-K716 PolarHBondContact O-N 3.4Å; L714-M717 PolarHBondContact O-N 3.18Å; L714-R718 PolarHBondContact O-N 3.27Å |
| 715 | A | 86.3 | Confident | 86.3 | Confident | 18 Ų | 18 | 51.6 Ų | 51.6 | 15% | 0.149 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -64.4 | -35.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | I625 S711 L712 E713 L719 | I625-A715 HydrophobicContact CD1-CB 4.29Å; I625-A715 HydrophobicContact CG1-CB 3.86Å; S711-A715 PolarHBondContact O-N 2.94Å; S711-A715 VanDerWaalsContact O-N 3.1Å; L712-A715 PolarHBondContact O-N 3.16Å; E713-A715 PolarHBondContact O-N 2.96Å; A715-L719 PolarHBondContact O-N 3.45Å |
| 716 | K | 84.7 | Confident | 85.9 | Confident | 4 Ų | 4 | 53.2 Ų | 53.2 | 2% | 0.017 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -73.3 | -37.8 | 175.8 | -76.9 | -179.1 | 165.2 | -167.7 | 0 | 113.2 | T589 L592 E593 V596 L712 E713 L714 R718 L719 V720 | T589-K716 PolarHBondContact O-NZ 3.44Å; L592-K716 HydrophobicContact CB-CD 4.22Å; E593-K716 VanDerWaalsContact CD-NZ 3.35Å; E593-K716 HydrophobicContact CG-CD 3.99Å; E593-K716 VanDerWaalsContact CG-NZ 3.32Å; E593-K716 VanDerWaalsContact OE1-CE 3.22Å; E593-K716 WeakPolarHBondContact OE1-CE 3.38Å; E593-K716 IonicContact OE1-NZ 3.07Å; E593-K716 PolarHBondContact OE1-NZ 3.49Å; V596-K716 HydrophobicContact CG2-CB 4.35Å; L712-K716 HydrophobicContact CD2-CD 4.07Å; L712-K716 WeakPolarHBondContact O-CB 3.45Å; L712-K716 WeakPolarHBondContact O-CG 3.5Å; L712-K716 PolarHBondContact O-N 3.05Å; E713-K716 PolarHBondContact O-N 3.26Å; E713-K716 VanDerWaalsContact O-N 3.16Å; L714-K716 VanDerWaalsContact C-N 3.3Å; L714-K716 PolarHBondContact O-N 3.4Å; K716-R718 VanDerWaalsContact C-N 3.28Å; K716-R718 PolarHBondContact O-N 3.43Å; K716-L719 WeakPolarHBondContact O-CB 3.5Å; K716-L719 PolarHBondContact O-N 3.23Å; K716-V720 PolarHBondContact O-N 2.87Å; K716-V720 VanDerWaalsContact O-N 3.08Å |
| 717 | M | 82.8 | Confident | 85.4 | Confident | 53 Ų | 53 | 49.9 Ų | 49.9 | 26% | 0.261 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -58.5 | -44.3 | 171.7 | -72.6 | -74.4 | -81.5 | 0 | 0 | 110.5 | V596 L600 E713 L714 V720 Q721 | V596-M717 HydrophobicContact CB-SD 4.11Å; V596-M717 HydrophobicContact CG1-CG 4.27Å; V596-M717 HydrophobicContact CG1-SD 3.62Å; V596-M717 HydrophobicContact CG2-CG 3.94Å; V596-M717 HydrophobicContact CG2-SD 3.69Å; L600-M717 HydrophobicContact CD1-CE 3.92Å; L600-M717 HydrophobicContact CD1-SD 3.85Å; E713-M717 WeakPolarHBondContact O-CG 3.4Å; E713-M717 PolarHBondContact O-N 2.9Å; L714-M717 PolarHBondContact O-N 3.18Å; M717-V720 PolarHBondContact O-N 3.02Å; M717-Q721 PolarHBondContact O-N 3.36Å |
| 718 | R | 84.9 | Confident | 84.6 | Confident | 138 Ų | 138 | 47.9 Ų | 47.9 | 52% | 0.521 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -62.3 | -46.6 | 176 | -172.7 | 177.7 | 179.2 | 168.1 | 3.5 | 112.7 | L714 K716 V720 Q721 D722 | L714-R718 PolarHBondContact O-N 3.27Å; K716-R718 VanDerWaalsContact C-N 3.28Å; K716-R718 PolarHBondContact O-N 3.43Å; R718-V720 PolarHBondContact O-N 2.85Å; R718-Q721 PolarHBondContact O-N 3.25Å; R718-D722 IonicContact NE-OD2 3.83Å; R718-D722 WeakPolarHBondContact O-CB 3.48Å; R718-D722 PolarHBondContact O-N 3.48Å |
| 719 | L | 85.3 | Confident | 83.8 | Confident | 4 Ų | 4 | 53.5 Ų | 53.5 | 2% | 0.021 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -52.5 | -43.2 | 174.2 | 173.5 | 102.8 | 0 | 0 | 0 | 111.5 | F612 K616 Y619 A715 K716 F723 | F612-L719 HydrophobicContact CE1-CD2 4.45Å; F612-L719 HydrophobicContact CE2-CD2 3.96Å; F612-L719 HydrophobicContact CE2-CG 4.45Å; F612-L719 HydrophobicContact CZ-CD2 3.5Å; F612-L719 VanDerWaalsContact CZ-CD2 3.5Å; F612-L719 HydrophobicContact CZ-CG 4.44Å; K616-L719 HydrophobicContact CB-CD1 4.5Å; K616-L719 HydrophobicContact CG-CD1 4.34Å; K616-L719 HydrophobicContact CG-CD2 4.44Å; Y619-L719 HydrophobicContact CD1-CD1 3.31Å; Y619-L719 HydrophobicContact CD2-CD1 4.03Å; Y619-L719 HydrophobicContact CE1-CB 4.11Å; Y619-L719 HydrophobicContact CE1-CD1 3.7Å; Y619-L719 HydrophobicContact CE2-CD1 4.41Å; Y619-L719 HydrophobicContact CG-CD1 3.47Å; Y619-L719 VanDerWaalsContact CG-CD1 3.47Å; A715-L719 PolarHBondContact O-N 3.45Å; K716-L719 WeakPolarHBondContact O-CB 3.5Å; K716-L719 PolarHBondContact O-N 3.23Å; L719-F723 WeakPolarHBondContact O-CB 3.27Å; L719-F723 PolarHBondContact O-N 3.41Å |
| 720 | V | 84.1 | Confident | 82.5 | Confident | 4 Ų | 4 | 52.8 Ų | 52.8 | 2% | 0.024 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -71.7 | -40.5 | 179.8 | 168.9 | 0 | 0 | 0 | 0 | 112.5 | V596 L600 L601 F612 K716 M717 R718 F723 E724 | V596-V720 HydrophobicContact CG1-CB 3.83Å; V596-V720 HydrophobicContact CG1-CG1 4.28Å; V596-V720 HydrophobicContact CG1-CG2 3.56Å; L600-V720 HydrophobicContact CB-CG1 3.69Å; L600-V720 HydrophobicContact CD1-CG1 3.98Å; L600-V720 HydrophobicContact CG-CG1 4.32Å; L601-V720 HydrophobicContact CD1-CG1 3.56Å; L601-V720 HydrophobicContact CD1-CG2 4.28Å; L601-V720 HydrophobicContact CG-CG1 3.84Å; F612-V720 HydrophobicContact CE2-CG2 3.8Å; F612-V720 HydrophobicContact CZ-CG2 3.9Å; K716-V720 PolarHBondContact O-N 2.87Å; K716-V720 VanDerWaalsContact O-N 3.08Å; M717-V720 PolarHBondContact O-N 3.02Å; R718-V720 PolarHBondContact O-N 2.85Å; V720-F723 WeakPolarHBondContact O-CB 3.43Å; V720-F723 PolarHBondContact O-N 3.47Å; V720-E724 PolarHBondContact O-N 3Å |
| 721 | Q | 83.5 | Confident | 81.1 | Confident | 99 Ų | 99 | 49.4 Ų | 49.4 | 46% | 0.463 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -63.6 | -40.7 | 174.4 | -76 | 179.5 | -20.2 | 0 | 0 | 112.5 | L600 M717 R718 F723 E724 S725 | L600-Q721 HydrophobicContact CD1-CG 4.32Å; L600-Q721 HydrophobicContact CD2-CG 4.32Å; M717-Q721 PolarHBondContact O-N 3.36Å; R718-Q721 PolarHBondContact O-N 3.25Å; Q721-F723 VanDerWaalsContact C-N 3.33Å; Q721-E724 PolarHBondContact O-N 3.48Å; Q721-S725 PolarHBondContact O-N 2.89Å; Q721-S725 PolarHBondContact O-OG 3.44Å |
| 722 | D | 84.7 | Confident | 79.4 | Confident | 58 Ų | 58 | 53.3 Ų | 53.3 | 31% | 0.31 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -67.5 | -37.6 | 177.4 | -71.4 | -7.2 | 0 | 0 | 0 | 110.4 | F615 Y619 R718 S725 W726 | F615-D722 HydrophobicContact CE1-CB 4.42Å; F615-D722 HydrophobicContact CZ-CB 4.06Å; Y619-D722 HydrophobicContact CE2-CB 3.98Å; Y619-D722 WeakPolarHBondContact CE2-OD2 3.38Å; Y619-D722 PolarHBondContact OH-OD2 2.89Å; R718-D722 IonicContact NE-OD2 3.83Å; R718-D722 WeakPolarHBondContact O-CB 3.48Å; R718-D722 PolarHBondContact O-N 3.48Å; D722-S725 PolarHBondContact O-N 3.46Å; D722-W726 VanDerWaalsContact O-CB 3.29Å; D722-W726 WeakPolarHBondContact O-CB 3.28Å; D722-W726 PolarHBondContact O-N 3.03Å |
| 723 | F | 84 | Confident | 77.4 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63.5 | -43.3 | 171.2 | 173 | -104 | 0 | 0 | 0 | 112.4 | L601 R608 A611 F612 F615 L719 V720 Q721 S725 W726 W727 | L601-F723 HydrophobicContact CD2-CD1 4.13Å; L601-F723 HydrophobicContact CD2-CE1 4.13Å; R608-F723 HydrophobicContact CG-CE1 4.25Å; R608-F723 HydrophobicContact CG-CZ 4.14Å; A611-F723 HydrophobicContact CB-CE2 4.2Å; A611-F723 HydrophobicContact CB-CZ 4.29Å; F612-F723 VanDerWaalsContact CA-CE2 3.45Å; F612-F723 HydrophobicContact CB-CD2 4.39Å; F612-F723 HydrophobicContact CB-CE1 4.16Å; F612-F723 HydrophobicContact CB-CE2 3.93Å; F612-F723 HydrophobicContact CB-CZ 3.8Å; F612-F723 HydrophobicContact CD2-CB 4.02Å; F612-F723 AromaticContact CD2-CD1 3.68Å; F612-F723 HydrophobicContact CD2-CD1 3.68Å; F612-F723 AromaticContact CD2-CD2 3.9Å; F612-F723 HydrophobicContact CD2-CD2 3.9Å; F612-F723 HydrophobicContact CD2-CE1 4.05Å; F612-F723 HydrophobicContact CD2-CE2 4.26Å; F612-F723 AromaticContact CD2-CG 3.58Å; F612-F723 HydrophobicContact CD2-CG 3.58Å; F612-F723 HydrophobicContact CD2-CZ 4.33Å; F612-F723 HydrophobicContact CE2-CB 4.2Å; F612-F723 HydrophobicContact CE2-CD1 4.41Å; F612-F723 HydrophobicContact CE2-CG 4.24Å; F615-F723 HydrophobicContact CB-CD2 3.73Å; F615-F723 HydrophobicContact CB-CE2 4.21Å; F615-F723 HydrophobicContact CD1-CB 3.79Å; F615-F723 AromaticContact CD1-CD2 3.97Å; F615-F723 HydrophobicContact CD1-CD2 3.97Å; F615-F723 HydrophobicContact CD1-CG 4.36Å; F615-F723 HydrophobicContact CD2-CD2 4.23Å; F615-F723 HydrophobicContact CE1-CB 3.8Å; F615-F723 HydrophobicContact CG-CB 4.33Å; F615-F723 AromaticContact CG-CD2 3.72Å; F615-F723 HydrophobicContact CG-CD2 3.72Å; F615-F723 HydrophobicContact CZ-CB 4.34Å; L719-F723 WeakPolarHBondContact O-CB 3.27Å; L719-F723 PolarHBondContact O-N 3.41Å; V720-F723 WeakPolarHBondContact O-CB 3.43Å; V720-F723 PolarHBondContact O-N 3.47Å; Q721-F723 VanDerWaalsContact C-N 3.33Å; F723-S725 VanDerWaalsContact C-N 3.34Å; F723-S725 PolarHBondContact O-N 2.99Å; F723-W726 AromaticContact CD2-CE3 3.81Å; F723-W726 HydrophobicContact CD2-CE3 3.81Å; F723-W726 HydrophobicContact CD2-CZ3 4.14Å; F723-W726 AromaticContact CE2-CE3 3.8Å; F723-W726 HydrophobicContact CE2-CE3 3.8Å; F723-W726 AromaticContact CE2-CZ3 3.69Å; F723-W726 HydrophobicContact CE2-CZ3 3.69Å; F723-W726 PolarHBondContact O-N 3.35Å; F723-W727 HydrophobicContact CE2-CE3 4.28Å; F723-W727 HydrophobicContact CZ-CD2 4.39Å; F723-W727 AromaticContact CZ-CE3 3.97Å; F723-W727 HydrophobicContact CZ-CE3 3.97Å; F723-W727 VanDerWaalsContact O-CB 3.27Å; F723-W727 WeakPolarHBondContact O-CB 3.42Å; F723-W727 PolarHBondContact O-N 2.85Å |
| 724 | E | 80.6 | Confident | 75.3 | Confident | 63 Ų | 63 | 58.5 Ų | 58.5 | 29% | 0.294 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -63.1 | -42.8 | 178.4 | -175.9 | 176.5 | -159.8 | 0 | 0 | 111.3 | V720 Q721 W727 N728 | V720-E724 PolarHBondContact O-N 3Å; Q721-E724 PolarHBondContact O-N 3.48Å; E724-W727 PolarHBondContact O-N 3.31Å; E724-N728 WeakPolarHBondContact O-CB 3.36Å; E724-N728 PolarHBondContact O-N 2.86Å; E724-N728 PolarHBondContact O-ND2 3.4Å |
| 725 | S | 81.1 | Confident | 73.2 | Confident | 74 Ų | 74 | 56.6 Ų | 56.6 | 52% | 0.517 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -62.1 | -45.1 | 175.1 | -58.2 | 0 | 0 | 0 | 0 | 111.4 | Q721 D722 F723 N728 Q729 | Q721-S725 PolarHBondContact O-N 2.89Å; Q721-S725 PolarHBondContact O-OG 3.44Å; D722-S725 PolarHBondContact O-N 3.46Å; F723-S725 VanDerWaalsContact C-N 3.34Å; F723-S725 PolarHBondContact O-N 2.99Å; S725-N728 PolarHBondContact O-N 3.48Å; S725-Q729 WeakPolarHBondContact O-CB 3.45Å; S725-Q729 PolarHBondContact O-N 2.9Å |
| 726 | W | 81.9 | Confident | 70.8 | Confident | 51 Ų | 51 | 61.3 Ų | 61.3 | 19% | 0.193 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -61.1 | -45.5 | 175.2 | 175.7 | 80.2 | 0 | 0 | 0 | 111.9 | A611 F615 D722 F723 Q729 M730 A833 I837 | A611-W726 HydrophobicContact CB-CZ3 4.38Å; F615-W726 HydrophobicContact CD2-CB 4.26Å; F615-W726 AromaticContact CD2-CD2 3.76Å; F615-W726 HydrophobicContact CD2-CD2 3.76Å; F615-W726 AromaticContact CD2-CE3 3.96Å; F615-W726 HydrophobicContact CD2-CE3 3.96Å; F615-W726 AromaticContact CD2-CG 3.9Å; F615-W726 HydrophobicContact CD2-CG 3.9Å; F615-W726 HydrophobicContact CE2-CB 3.72Å; F615-W726 HydrophobicContact CE2-CD2 4.11Å; F615-W726 AromaticContact CE2-CG 3.72Å; F615-W726 HydrophobicContact CE2-CG 3.72Å; F615-W726 HydrophobicContact CZ-CB 4.46Å; D722-W726 VanDerWaalsContact O-CB 3.29Å; D722-W726 WeakPolarHBondContact O-CB 3.28Å; D722-W726 PolarHBondContact O-N 3.03Å; F723-W726 AromaticContact CD2-CE3 3.81Å; F723-W726 HydrophobicContact CD2-CE3 3.81Å; F723-W726 HydrophobicContact CD2-CZ3 4.14Å; F723-W726 AromaticContact CE2-CE3 3.8Å; F723-W726 HydrophobicContact CE2-CE3 3.8Å; F723-W726 AromaticContact CE2-CZ3 3.69Å; F723-W726 HydrophobicContact CE2-CZ3 3.69Å; F723-W726 PolarHBondContact O-N 3.35Å; W726-Q729 PolarHBondContact O-N 3.42Å; W726-M730 VanDerWaalsContact O-CG 3.31Å; W726-M730 WeakPolarHBondContact O-CG 3.28Å; W726-M730 PolarHBondContact O-N 3.36Å; W726-A833 HydrophobicContact CH2-CB 3.76Å; W726-A833 HydrophobicContact CZ2-CB 3.95Å; W726-I837 HydrophobicContact CZ2-CD1 4.25Å |
| 727 | W | 78.3 | Confident | 68.5 | Low | 13 Ų | 13 | 67.1 Ų | 67.1 | 5% | 0.049 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -62.3 | -48.3 | 178.5 | -171.6 | -97.3 | 0 | 0 | 0 | 111.5 | R608 A611 F723 E724 Q729 M730 S731 T829 | R608-W727 HydrophobicContact CB-CH2 4.4Å; R608-W727 HydrophobicContact CB-CZ2 4.34Å; R608-W727 HydrophobicContact CG-CD2 4.36Å; R608-W727 HydrophobicContact CG-CH2 4.23Å; R608-W727 HydrophobicContact CG-CZ2 3.98Å; A611-W727 HydrophobicContact CB-CE3 4.09Å; A611-W727 HydrophobicContact CB-CH2 4.21Å; A611-W727 HydrophobicContact CB-CZ3 3.39Å; F723-W727 HydrophobicContact CE2-CE3 4.28Å; F723-W727 HydrophobicContact CZ-CD2 4.39Å; F723-W727 AromaticContact CZ-CE3 3.97Å; F723-W727 HydrophobicContact CZ-CE3 3.97Å; F723-W727 VanDerWaalsContact O-CB 3.27Å; F723-W727 WeakPolarHBondContact O-CB 3.42Å; F723-W727 PolarHBondContact O-N 2.85Å; E724-W727 PolarHBondContact O-N 3.31Å; W727-Q729 PolarHBondContact O-N 2.95Å; W727-M730 PolarHBondContact O-N 3.02Å; W727-S731 PolarHBondContact O-N 3.48Å; W727-S731 PolarHBondContact O-OG 3.01Å; W727-T829 HydrophobicContact CH2-CG2 4.24Å; W727-T829 HydrophobicContact CZ2-CG2 4.25Å |
| 728 | N | 74.1 | Confident | 66 | Low | 73 Ų | 73 | 71.3 Ų | 71.3 | 39% | 0.39 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -63.5 | -40.2 | 179.5 | -71.9 | -21.5 | 0 | 0 | 0 | 112.1 | E724 S725 M730 S731 I732 | E724-N728 WeakPolarHBondContact O-CB 3.36Å; E724-N728 PolarHBondContact O-N 2.86Å; E724-N728 PolarHBondContact O-ND2 3.4Å; S725-N728 PolarHBondContact O-N 3.48Å; N728-M730 VanDerWaalsContact C-N 3.26Å; N728-M730 PolarHBondContact O-N 3.05Å; N728-S731 PolarHBondContact O-N 3.39Å; N728-I732 WeakPolarHBondContact O-CD1 3.37Å; N728-I732 VanDerWaalsContact O-CG1 3.29Å; N728-I732 WeakPolarHBondContact O-CG1 3.47Å; N728-I732 PolarHBondContact O-N 2.92Å |
| 729 | Q | 74.3 | Confident | 63.4 | Low | 125 Ų | 125 | 71 Ų | 71 | 58% | 0.584 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -62.2 | -35.5 | 176.5 | -169.7 | 166.1 | 23.4 | 0 | 0 | 112 | S725 W726 W727 | S725-Q729 WeakPolarHBondContact O-CB 3.45Å; S725-Q729 PolarHBondContact O-N 2.9Å; W726-Q729 PolarHBondContact O-N 3.42Å; W727-Q729 PolarHBondContact O-N 2.95Å |
| 730 | M | 61.3 | Low | 60.8 | Low | 34 Ų | 34 | 75 Ų | 75 | 17% | 0.167 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -75.4 | -29.1 | 176 | -61.9 | -61.3 | 89.6 | 0 | 0 | 113.1 | W726 W727 N728 T829 K836 | W726-M730 VanDerWaalsContact O-CG 3.31Å; W726-M730 WeakPolarHBondContact O-CG 3.28Å; W726-M730 PolarHBondContact O-N 3.36Å; W727-M730 PolarHBondContact O-N 3.02Å; N728-M730 VanDerWaalsContact C-N 3.26Å; N728-M730 PolarHBondContact O-N 3.05Å; M730-T829 HydrophobicContact CB-CG2 4.48Å; M730-K836 HydrophobicContact SD-CD 4.35Å |
| 731 | S | 59.3 | Low | 58.1 | Low | 39 Ų | 39 | 82.4 Ų | 82.4 | 27% | 0.273 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -70 | -35.3 | 173.1 | -58.1 | 0 | 0 | 0 | 0 | 112.6 | W727 N728 Q734 | W727-S731 PolarHBondContact O-N 3.48Å; W727-S731 PolarHBondContact O-OG 3.01Å; N728-S731 PolarHBondContact O-N 3.39Å; S731-Q734 VanDerWaalsContact O-CB 3.24Å; S731-Q734 WeakPolarHBondContact O-CB 3.43Å; S731-Q734 VanDerWaalsContact O-CG 3.29Å; S731-Q734 WeakPolarHBondContact O-CG 3.47Å; S731-Q734 PolarHBondContact O-N 2.88Å |
| 732 | I | 52.7 | Low | 55.3 | Low | 111 Ų | 111 | 86.6 Ų | 86.6 | 57% | 0.569 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -70.1 | -33.6 | -177.2 | -67.6 | 162.7 | 0 | 0 | 0 | 111.9 | N728 Q734 S735 | N728-I732 WeakPolarHBondContact O-CD1 3.37Å; N728-I732 VanDerWaalsContact O-CG1 3.29Å; N728-I732 WeakPolarHBondContact O-CG1 3.47Å; N728-I732 PolarHBondContact O-N 2.92Å; I732-Q734 PolarHBondContact O-N 3.16Å; I732-S735 PolarHBondContact O-N 3.05Å; I732-S735 PolarHBondContact O-OG 2.87Å |
| 733 | E | 47.5 | Very low | 52.5 | Low | 86 Ų | 86 | 93.4 Ų | 93.4 | 40% | 0.402 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63.3 | -6.3 | 173.2 | -70.4 | -179.1 | 176.7 | 0 | 0 | 113.3 | S735 K836 | E733-S735 PolarHBondContact O-N 2.81Å; E733-K836 VanDerWaalsContact CD-NZ 3.26Å; E733-K836 IonicContact OE1-NZ 3.15Å; E733-K836 PolarHBondContact OE1-NZ 3.36Å; E733-K836 VanDerWaalsContact OE1-NZ 3.08Å; E733-K836 IonicContact OE2-NZ 2.73Å; E733-K836 PolarHBondContact OE2-NZ 2.86Å |
| 734 | Q | 42.8 | Very low | 49.6 | Very low | 80 Ų | 80 | 104.1 Ų | 104.1 | 37% | 0.374 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -67.2 | -22.4 | 167.6 | -66.8 | -173.4 | 2.7 | 0 | 0 | 113.3 | S731 I732 T829 | S731-Q734 VanDerWaalsContact O-CB 3.24Å; S731-Q734 WeakPolarHBondContact O-CB 3.43Å; S731-Q734 VanDerWaalsContact O-CG 3.29Å; S731-Q734 WeakPolarHBondContact O-CG 3.47Å; S731-Q734 PolarHBondContact O-N 2.88Å; I732-Q734 PolarHBondContact O-N 3.16Å; Q734-T829 PolarHBondContact NE2-OG1 2.99Å |
| 735 | S | 42.3 | Very low | 47 | Very low | 61 Ų | 61 | 108.4 Ų | 108.4 | 43% | 0.427 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -93.5 | -27.8 | -170.6 | 59.2 | 0 | 0 | 0 | 0 | 114.8 | I732 E733 | I732-S735 PolarHBondContact O-N 3.05Å; I732-S735 PolarHBondContact O-OG 2.87Å; E733-S735 PolarHBondContact O-N 2.81Å |
| 736 | D | 35.8 | Very low | 44.4 | Very low | 117 Ų | 117 | 114.7 Ų | 114.7 | 63% | 0.626 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -78.7 | -23.5 | -174.7 | -79 | -27 | 0 | 0 | 0 | 114.1 | N738 | D736-N738 VanDerWaalsContact C-N 3.29Å; D736-N738 PolarHBondContact O-N 3.08Å |
| 737 | D | 36.6 | Very low | 41.6 | Very low | 127 Ų | 127 | 117.4 Ų | 117.4 | 68% | 0.679 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.5 | -16.4 | 178.7 | -77.1 | -21.5 | 0 | 0 | 0 | 113.4 | ||
| 738 | N | 31.5 | Very low | 39.1 | Very low | 140 Ų | 140 | 124.6 Ų | 124.6 | 75% | 0.749 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.1 | -6.5 | -176.3 | -81.9 | -25.2 | 0 | 0 | 0 | 115.1 | D736 | D736-N738 VanDerWaalsContact C-N 3.29Å; D736-N738 PolarHBondContact O-N 3.08Å |
| 739 | I | 30.7 | Very low | 36.8 | Very low | 132 Ų | 132 | 126 Ų | 126 | 68% | 0.677 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -97.6 | -8.5 | -175.4 | -60.6 | 177 | 0 | 0 | 0 | 112.8 | H741 | I739-H741 VanDerWaalsContact C-N 3.25Å; I739-H741 PolarHBondContact O-N 3.03Å |
| 740 | S | 31 | Very low | 34.5 | Very low | 88 Ų | 88 | 128.8 Ų | 128.8 | 62% | 0.615 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -74.3 | -6.9 | -177.8 | 58.1 | 0 | 0 | 0 | 0 | 115.3 | ||
| 741 | H | 26.3 | Very low | 32.8 | Very low | 160 Ų | 160 | 135 Ų | 135 | 74% | 0.741 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -139.6 | 87.6 | 178.8 | -72.2 | -63.1 | 0 | 0 | 0 | 112.2 | I739 | I739-H741 VanDerWaalsContact C-N 3.25Å; I739-H741 PolarHBondContact O-N 3.03Å |
| 742 | Q | 24.8 | Very low | 31.2 | Very low | 187 Ų | 187 | 138.6 Ų | 138.6 | 87% | 0.874 | 73% | 0.726 | S | S | * | * | S | Bend | trans | 174.2 | -3.6 | 134.1 | -97.5 | 163.8 | 1.7 | 0 | 0 | 117.7 | R744 | Q742-R744 PolarHBondContact O-N 3.08Š|
| 743 | Q | 26.8 | Very low | 30 | Very low | 200 Ų | 200 | 141.7 Ų | 141.7 | 94% | 0.935 | 74% | 0.743 | S | S | * | * | trans | -89.2 | 70.4 | 176.7 | -71.2 | -174.5 | -2.4 | 0 | 0 | 112.9 | ||||
| 744 | R | 22.8 | Very low | 28.9 | Very low | 225 Ų | 225 | 145 Ų | 145 | 85% | 0.849 | 76% | 0.763 | S | S | * | * | trans | -124.4 | 131.6 | 149 | -75.7 | -173 | -166.9 | -177.5 | 4.9 | 106.5 | Q742 | Q742-R744 PolarHBondContact O-N 3.08Š| ||
| 745 | N | 24.4 | Very low | 28.2 | Very low | 153 Ų | 153 | 148.2 Ų | 148.2 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | trans | 95.8 | 80.5 | 178.9 | -49.7 | -16.7 | 0 | 0 | 0 | 113.9 | ||||
| 746 | E | 27.3 | Very low | 27.5 | Very low | 207 Ų | 207 | 150.9 Ų | 150.9 | 97% | 0.967 | 80% | 0.797 | S | S | * | * | -169 | 86.6 | 127.3 | -102.6 | 171.2 | -157.2 | 0 | 0 | 108 | |||||
| 747 | S | 23.3 | Very low | 27.1 | Very low | 107 Ų | 107 | 155.2 Ų | 155.2 | 75% | 0.748 | 81% | 0.81 | S | S | * | * | trans | -111.8 | 117.6 | 164.5 | 33 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 748 | I | 26.8 | Very low | 26.6 | Very low | 164 Ų | 164 | 156.6 Ų | 156.6 | 84% | 0.841 | 82% | 0.818 | S | S | * | * | trans | -172 | 108.6 | 153.5 | -88.7 | 142.2 | 0 | 0 | 0 | 108.2 | ||||
| 749 | S | 25.7 | Very low | 26.5 | Very low | 102 Ų | 102 | 156 Ų | 156 | 71% | 0.713 | 82% | 0.819 | S | S | * | * | trans | 58.6 | 99.3 | 135.1 | -51.5 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 750 | L | 25.2 | Very low | 26.3 | Very low | 184 Ų | 184 | 158.4 Ų | 158.4 | 96% | 0.963 | 82% | 0.824 | S | S | * | * | trans | -144.1 | 93.2 | 139.3 | -100.6 | 130.8 | 0 | 0 | 0 | 108.1 | ||||
| 751 | N | 24.9 | Very low | 26.1 | Very low | 166 Ų | 166 | 161.9 Ų | 161.9 | 89% | 0.888 | 84% | 0.835 | S | S | * | * | trans | -115.7 | 142.7 | 173.4 | -100.2 | -12.3 | 0 | 0 | 0 | 109.1 | ||||
| 752 | S | 26 | Very low | 26.3 | Very low | 114 Ų | 114 | 161.1 Ų | 161.1 | 80% | 0.797 | 84% | 0.837 | S | S | * | * | trans | 84.4 | 92.4 | 158.9 | -163.4 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 753 | L | 26.9 | Very low | 26.5 | Very low | 176 Ų | 176 | 160 Ų | 160 | 92% | 0.921 | 84% | 0.837 | S | S | * | * | trans | -150.9 | 84.1 | 138.4 | -145 | 76.7 | 0 | 0 | 0 | 109.6 | ||||
| 754 | N | 25.8 | Very low | 26.6 | Very low | 155 Ų | 155 | 156.9 Ų | 156.9 | 83% | 0.829 | 83% | 0.831 | S | S | * | * | trans | -101.6 | 114.1 | 165.7 | -83.4 | -17.7 | 0 | 0 | 0 | 107.1 | ||||
| 755 | D | 28.1 | Very low | 26.7 | Very low | 148 Ų | 148 | 151.4 Ų | 151.4 | 79% | 0.791 | 83% | 0.828 | S | S | * | * | trans | -167.5 | 130 | 144.2 | -113.1 | -33.4 | 0 | 0 | 0 | 114.8 | ||||
| 756 | T | 26.5 | Very low | 27 | Very low | 117 Ų | 117 | 150 Ų | 150 | 72% | 0.718 | 83% | 0.829 | S | S | * | * | trans | 49.3 | 113.8 | 147.8 | 27.3 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 757 | K | 27.7 | Very low | 27 | Very low | 208 Ų | 208 | 145.5 Ų | 145.5 | 90% | 0.904 | 82% | 0.816 | S | S | * | * | -162.2 | 96.5 | 129.6 | -105.5 | 165.6 | -169.3 | -179.1 | 0 | 111.6 | |||||
| 758 | N | 25.6 | Very low | 27.1 | Very low | 156 Ų | 156 | 147 Ų | 147 | 83% | 0.834 | 83% | 0.825 | S | S | * | * | trans | -72.6 | 123.2 | 167.7 | -104.3 | -34.1 | 0 | 0 | 0 | 109.7 | ||||
| 759 | V | 29.1 | Very low | 27 | Very low | 127 Ų | 127 | 144.8 Ų | 144.8 | 77% | 0.77 | 82% | 0.819 | S | S | * | * | trans | -122.4 | 104 | 163.9 | 179 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 760 | K | 27.1 | Very low | 27.3 | Very low | 182 Ų | 182 | 146.1 Ų | 146.1 | 79% | 0.791 | 82% | 0.823 | S | S | * | * | trans | -77.3 | 125.1 | 174.7 | -79.6 | 177.3 | 171.2 | 179.9 | 0 | 109.3 | ||||
| 761 | L | 28 | Very low | 27.4 | Very low | 162 Ų | 162 | 145.6 Ų | 145.6 | 85% | 0.848 | 82% | 0.816 | S | S | * | * | trans | -100 | 123.3 | 164.5 | -80.1 | 157.9 | 0 | 0 | 0 | 107.9 | ||||
| 762 | N | 28.9 | Very low | 27.5 | Very low | 144 Ų | 144 | 145.4 Ų | 145.4 | 77% | 0.77 | 81% | 0.814 | S | S | * | * | trans | -87.7 | 112.1 | 179.4 | -77.6 | -16.1 | 0 | 0 | 0 | 109.1 | ||||
| 763 | D | 28.8 | Very low | 27.8 | Very low | 164 Ų | 164 | 149.4 Ų | 149.4 | 88% | 0.877 | 82% | 0.817 | S | S | * | * | trans | -91.3 | 111.2 | 166.3 | -73 | -31.4 | 0 | 0 | 0 | 109.1 | ||||
| 764 | T | 30.2 | Very low | 27.8 | Very low | 133 Ų | 133 | 148.5 Ų | 148.5 | 82% | 0.816 | 81% | 0.814 | S | S | * | * | trans | -86.1 | 118.3 | 175.7 | 45.6 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 765 | S | 25.3 | Very low | 27.9 | Very low | 111 Ų | 111 | 149.2 Ų | 149.2 | 78% | 0.776 | 82% | 0.816 | S | S | * | * | trans | -55.1 | 134.6 | 167.2 | 53.6 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 766 | S | 29.2 | Very low | 27.9 | Very low | 122 Ų | 122 | 146.3 Ų | 146.3 | 85% | 0.853 | 81% | 0.808 | S | S | * | * | trans | -136.7 | 112.4 | 150.5 | 64.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 767 | V | 27.8 | Very low | 27.9 | Very low | 114 Ų | 114 | 148.7 Ų | 148.7 | 69% | 0.691 | 81% | 0.811 | S | S | * | * | trans | -84.6 | 129.7 | -177.7 | 170.5 | 0 | 0 | 0 | 0 | 108.8 | T769 | V767-T769 HydrophobicContact CG1-CG2 3.93Š| ||
| 768 | C | 24.8 | Very low | 27.7 | Very low | 137 Ų | 137 | 143.5 Ų | 143.5 | 93% | 0.926 | 80% | 0.801 | S | S | * | * | trans | -126 | 104.2 | 160 | -90.6 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 769 | T | 25.6 | Very low | 27.9 | Very low | 119 Ų | 119 | 142.2 Ų | 142.2 | 73% | 0.73 | 80% | 0.804 | S | S | * | * | trans | -85.9 | 124.5 | 173.1 | 37 | 0 | 0 | 0 | 0 | 110.4 | V767 | V767-T769 HydrophobicContact CG1-CG2 3.93Š| ||
| 770 | V | 30.7 | Very low | 27.7 | Very low | 130 Ų | 130 | 146 Ų | 146 | 79% | 0.788 | 81% | 0.81 | S | S | * | * | trans | -144.6 | 100.8 | 156.1 | -178.2 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 771 | E | 28.2 | Very low | 27.7 | Very low | 173 Ų | 173 | 146.4 Ų | 146.4 | 81% | 0.808 | 82% | 0.815 | S | S | * | * | trans | 53.7 | 92.1 | 136.9 | -56.5 | -177.3 | 175.6 | 0 | 0 | 120.6 | ||||
| 772 | D | 27.9 | Very low | 27.5 | Very low | 161 Ų | 161 | 143.8 Ų | 143.8 | 86% | 0.861 | 81% | 0.81 | S | S | * | * | trans | -68.6 | 127.7 | 152.9 | -74.4 | -48.4 | 0 | 0 | 0 | 111.3 | ||||
| 773 | K | 31.7 | Very low | 27.4 | Very low | 198 Ų | 198 | 147.8 Ų | 147.8 | 86% | 0.861 | 82% | 0.816 | S | S | * | * | trans | -102.5 | 112.6 | 163.2 | -83.5 | -173 | 177.9 | 176.7 | 0 | 110.3 | ||||
| 774 | N | 25.9 | Very low | 27.3 | Very low | 158 Ų | 158 | 146.1 Ų | 146.1 | 85% | 0.845 | 81% | 0.812 | S | S | * | * | trans | -51.3 | 126.2 | 169.6 | -66.4 | -57.9 | 0 | 0 | 0 | 112.6 | ||||
| 775 | L | 29 | Very low | 27.2 | Very low | 169 Ų | 169 | 147.7 Ų | 147.7 | 89% | 0.885 | 82% | 0.815 | S | S | * | * | trans | -119.2 | 105.8 | 150.7 | -91.2 | 160 | 0 | 0 | 0 | 107.8 | ||||
| 776 | S | 27.2 | Very low | 27.3 | Very low | 88 Ų | 88 | 147.6 Ų | 147.6 | 62% | 0.615 | 82% | 0.815 | S | S | * | * | trans | -46.7 | 160 | 151.1 | 53.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 777 | E | 26.7 | Very low | 27.1 | Very low | 167 Ų | 167 | 151.4 Ų | 151.4 | 78% | 0.78 | 82% | 0.816 | S | S | * | * | cis | -174.2 | 147.7 | 25.9 | -139.9 | 161.9 | 179.3 | 0 | 0 | 107.1 | ||||
| 778 | S | 23.7 | Very low | 27 | Very low | 98 Ų | 98 | 154 Ų | 154 | 69% | 0.685 | 83% | 0.825 | S | S | * | * | trans | 38.1 | 117.2 | 145.9 | 62.9 | 0 | 0 | 0 | 0 | 121 | ||||
| 779 | S | 29.4 | Very low | 27 | Very low | 129 Ų | 129 | 155.1 Ų | 155.1 | 90% | 0.902 | 82% | 0.822 | S | S | * | * | -160.6 | 106.7 | 127.1 | -79.4 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 780 | K | 24.9 | Very low | 27 | Very low | 208 Ų | 208 | 159.6 Ų | 159.6 | 90% | 0.904 | 83% | 0.831 | S | S | * | * | trans | -73.5 | 130.6 | 171.3 | -70.1 | 170.9 | 174.1 | 174.6 | 0 | 108.9 | ||||
| 781 | Q | 28.7 | Very low | 26.8 | Very low | 190 Ų | 190 | 158.7 Ų | 158.7 | 89% | 0.888 | 83% | 0.83 | S | S | * | * | trans | -146 | 112 | 150.3 | -109.9 | 162.9 | 6.1 | 0 | 0 | 109.6 | ||||
| 782 | S | 23.5 | Very low | 26.6 | Very low | 107 Ų | 107 | 155.8 Ų | 155.8 | 75% | 0.748 | 83% | 0.829 | S | S | * | * | trans | -70.4 | 128.7 | 178.6 | 46.2 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 783 | Y | 26.1 | Very low | 26.5 | Very low | 227 Ų | 227 | 157.9 Ų | 157.9 | 89% | 0.89 | 83% | 0.831 | S | S | * | * | trans | -116.1 | 129 | 153.3 | -92.1 | -87.6 | 0 | 0 | 0 | 108.5 | ||||
| 784 | T | 27.4 | Very low | 26.2 | Very low | 129 Ų | 129 | 156.9 Ų | 156.9 | 79% | 0.791 | 83% | 0.829 | S | S | * | * | trans | -84 | 113.8 | -171.5 | 46.2 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 785 | D | 26.7 | Very low | 26 | Very low | 166 Ų | 166 | 155.1 Ų | 155.1 | 89% | 0.888 | 83% | 0.83 | S | S | * | * | trans | -78 | 116 | 168.1 | -84.9 | -33.1 | 0 | 0 | 0 | 110.7 | ||||
| 786 | S | 27.8 | Very low | 25.9 | Very low | 110 Ų | 110 | 152.8 Ų | 152.8 | 77% | 0.769 | 82% | 0.822 | S | S | * | * | trans | -82.4 | 113.4 | 172.9 | 40.1 | 0 | 0 | 0 | 0 | 110.7 | L788 | S786-L788 PolarHBondContact O-N 3.49Š| ||
| 787 | K | 25 | Very low | 25.7 | Very low | 202 Ų | 202 | 157.2 Ų | 157.2 | 88% | 0.878 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 121.7 | 170.6 | -70 | 173.6 | 174.8 | 176 | 0 | 110.7 | ||
| 788 | L | 26.5 | Very low | 25.6 | Very low | 169 Ų | 169 | 155.8 Ų | 155.8 | 89% | 0.885 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -101.8 | 124.9 | 160.9 | -105 | 114.4 | 0 | 0 | 0 | 109.9 | S786 | S786-L788 PolarHBondContact O-N 3.49Š|
| 789 | N | 25.4 | Very low | 25.5 | Very low | 160 Ų | 160 | 157.2 Ų | 157.2 | 86% | 0.856 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 128.7 | -176.8 | -82.3 | -29.7 | 0 | 0 | 0 | 112.8 | ||
| 790 | K | 25 | Very low | 25.4 | Very low | 213 Ų | 213 | 159.2 Ų | 159.2 | 93% | 0.926 | 83% | 0.827 | S | S | * | * | trans | -84.3 | 107.7 | 159.6 | -80.4 | 179.3 | 174.7 | 177.9 | 0 | 108.3 | ||||
| 791 | S | 26 | Very low | 25.3 | Very low | 110 Ų | 110 | 159 Ų | 159 | 77% | 0.769 | 83% | 0.829 | S | S | * | * | trans | -83.2 | 129.2 | 167.6 | 47.4 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 792 | S | 24.2 | Very low | 25.2 | Very low | 112 Ų | 112 | 156 Ų | 156 | 78% | 0.783 | 82% | 0.818 | S | S | * | * | trans | -59.9 | 128.9 | 170.2 | 40.7 | 0 | 0 | 0 | 0 | 112 | ||||
| 793 | F | 25.3 | Very low | 25.3 | Very low | 206 Ų | 206 | 157.8 Ų | 157.8 | 90% | 0.904 | 82% | 0.819 | S | S | * | * | trans | -110.9 | 113.9 | 164.9 | -126 | -94.1 | 0 | 0 | 0 | 108.1 | ||||
| 794 | E | 25 | Very low | 25.3 | Very low | 176 Ų | 176 | 153.5 Ų | 153.5 | 82% | 0.822 | 81% | 0.812 | S | S | * | * | trans | -67.7 | 140.7 | 179.3 | -77.4 | 174.2 | 141.7 | 0 | 0 | 111.6 | V796 | E794-V796 PolarHBondContact O-N 3.31Š| ||
| 795 | S | 23 | Very low | 25.2 | Very low | 122 Ų | 122 | 153.8 Ų | 153.8 | 85% | 0.853 | 81% | 0.809 | S | S | * | * | trans | -83.8 | 101.6 | 176.7 | 32.6 | 0 | 0 | 0 | 0 | 109.8 | Q797 | S795-Q797 PolarHBondContact O-N 3Š| ||
| 796 | V | 27.6 | Very low | 25.2 | Very low | 119 Ų | 119 | 151.7 Ų | 151.7 | 72% | 0.721 | 80% | 0.804 | S | S | * | * | trans | -84.7 | 109.9 | 172.5 | 178 | 0 | 0 | 0 | 0 | 109.3 | E794 L798 | E794-V796 PolarHBondContact O-N 3.31Å; V796-L798 HydrophobicContact CG1-CD1 4.29Å; V796-L798 PolarHBondContact O-N 3.47Å | ||
| 797 | Q | 22.4 | Very low | 25.2 | Very low | 182 Ų | 182 | 154.2 Ų | 154.2 | 85% | 0.85 | 81% | 0.806 | S | S | * | * | trans | -78 | 94.1 | 178.4 | -160 | 172 | 5.6 | 0 | 0 | 109.3 | S795 | S795-Q797 PolarHBondContact O-N 3Š| ||
| 798 | L | 24.7 | Very low | 25 | Very low | 137 Ų | 137 | 151 Ų | 151 | 72% | 0.717 | 80% | 0.798 | S | S | * | * | trans | -96.7 | 93.1 | 177.5 | -115 | 147.3 | 0 | 0 | 0 | 110 | V796 K800 | V796-L798 HydrophobicContact CG1-CD1 4.29Å; V796-L798 PolarHBondContact O-N 3.47Å; L798-K800 PolarHBondContact O-N 2.94Å | ||
| 799 | T | 21.9 | Very low | 25.1 | Very low | 127 Ų | 127 | 152.4 Ų | 152.4 | 78% | 0.779 | 79% | 0.793 | S | S | * | * | trans | -67.6 | 103.6 | 166.8 | 36.5 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 800 | K | 26.8 | Very low | 25 | Very low | 171 Ų | 171 | 152.2 Ų | 152.2 | 74% | 0.743 | 79% | 0.787 | S | S | * | * | trans | -118.3 | 107.4 | 160.3 | -89 | -175.8 | 175.6 | 179.6 | 0 | 109.2 | L798 I802 | L798-K800 PolarHBondContact O-N 2.94Å; K800-I802 PolarHBondContact O-N 3.36Å; K800-I802 VanDerWaalsContact O-N 3.16Å | ||
| 801 | Q | 22.8 | Very low | 25.2 | Very low | 203 Ų | 203 | 148.9 Ų | 148.9 | 95% | 0.949 | 78% | 0.778 | S | S | * | * | trans | -61.7 | 105.7 | 166.2 | -73.1 | 174 | -28.9 | 0 | 0 | 108.4 | ||||
| 802 | I | 26.7 | Very low | 25.3 | Very low | 128 Ų | 128 | 150.7 Ų | 150.7 | 66% | 0.656 | 78% | 0.779 | S | S | * | * | trans | -105.2 | 112.8 | 168.2 | -61.1 | 178.5 | 0 | 0 | 0 | 107.1 | K800 N804 | K800-I802 PolarHBondContact O-N 3.36Å; K800-I802 VanDerWaalsContact O-N 3.16Å; I802-N804 WeakPolarHBondContact CG2-OD1 3.38Å; I802-N804 PolarHBondContact O-N 3.24Å | ||
| 803 | N | 24.6 | Very low | 25.7 | Very low | 145 Ų | 145 | 153.5 Ų | 153.5 | 78% | 0.775 | 78% | 0.78 | S | S | * | * | trans | -71 | 87.1 | 179.9 | -165.1 | 18.4 | 0 | 0 | 0 | 109.4 | N805 | N803-N805 PolarHBondContact O-N 3.49Š| ||
| 804 | N | 27 | Very low | 26.4 | Very low | 137 Ų | 137 | 149.2 Ų | 149.2 | 73% | 0.733 | 78% | 0.776 | S | S | * | * | trans | -87 | 86.5 | 178.2 | -76 | -14.9 | 0 | 0 | 0 | 110.1 | I802 P806 | I802-N804 WeakPolarHBondContact CG2-OD1 3.38Å; I802-N804 PolarHBondContact O-N 3.24Å; N804-P806 WeakPolarHBondContact O-CD 3.46Å | ||
| 805 | N | 24.8 | Very low | 27.2 | Very low | 135 Ų | 135 | 145.7 Ų | 145.7 | 72% | 0.722 | 76% | 0.761 | S | S | * | * | trans | -71.1 | 118.8 | 159.9 | -96.8 | -16.6 | 0 | 0 | 0 | 108.6 | N803 M807 | N803-N805 PolarHBondContact O-N 3.49Å; N805-M807 PolarHBondContact O-N 2.92Å; N805-M807 VanDerWaalsContact O-N 3.09Å | ||
| 806 | P | 27.9 | Very low | 28.4 | Very low | 122 Ų | 122 | 145.1 Ų | 145.1 | 79% | 0.792 | 75% | 0.754 | S | S | * | * | trans | -76.1 | 101.6 | 176.6 | 29.9 | -29.7 | 0 | 0 | 0 | 108.9 | N804 N808 | N804-P806 WeakPolarHBondContact O-CD 3.46Å; P806-N808 PolarHBondContact O-N 3.49Å | ||
| 807 | M | 25.9 | Very low | 29.6 | Very low | 163 Ų | 163 | 144.4 Ų | 144.4 | 80% | 0.803 | 75% | 0.745 | S | S | * | * | trans | -64.7 | 114.7 | 168.2 | -88.2 | -71.3 | -174.2 | 0 | 0 | 109.1 | N805 Y809 | N805-M807 PolarHBondContact O-N 2.92Å; N805-M807 VanDerWaalsContact O-N 3.09Å; M807-Y809 HydrophobicContact CB-CD2 4.46Å; M807-Y809 HydrophobicContact CB-CE2 4.33Å; M807-Y809 PolarHBondContact O-N 2.84Å | ||
| 808 | N | 22.6 | Very low | 31.3 | Very low | 135 Ų | 135 | 140 Ų | 140 | 72% | 0.722 | 73% | 0.73 | S | S | * | * | trans | -69.1 | 84.3 | -178.8 | -167.3 | 4.6 | 0 | 0 | 0 | 110.4 | P806 Q810 | P806-N808 PolarHBondContact O-N 3.49Å; N808-Q810 PolarHBondContact O-N 2.95Å; N808-Q810 VanDerWaalsContact O-N 3.1Å | ||
| 809 | Y | 27.2 | Very low | 32.8 | Very low | 197 Ų | 197 | 136.6 Ų | 136.6 | 77% | 0.773 | 73% | 0.728 | S | S | * | * | trans | -77.6 | 91.1 | 169.2 | -83.2 | -80.4 | 0 | 0 | 0 | 109.5 | M807 L811 | M807-Y809 HydrophobicContact CB-CD2 4.46Å; M807-Y809 HydrophobicContact CB-CE2 4.33Å; M807-Y809 PolarHBondContact O-N 2.84Å; Y809-L811 PolarHBondContact O-N 3.16Å; Y809-L811 VanDerWaalsContact O-N 3.12Å | ||
| 810 | Q | 23.8 | Very low | 34.4 | Very low | 156 Ų | 156 | 134 Ų | 134 | 73% | 0.729 | 71% | 0.71 | S | S | * | * | trans | -65.7 | 99.2 | 161.9 | -71.6 | 176.4 | -27 | 0 | 0 | 108.9 | N808 | N808-Q810 PolarHBondContact O-N 2.95Å; N808-Q810 VanDerWaalsContact O-N 3.1Å | ||
| 811 | L | 29.9 | Very low | 36.2 | Very low | 143 Ų | 143 | 130.7 Ų | 130.7 | 75% | 0.749 | 71% | 0.706 | S | S | * | * | trans | -107.2 | 101.9 | 169.2 | -126.7 | 89.2 | 0 | 0 | 0 | 110.7 | Y809 H813 | Y809-L811 PolarHBondContact O-N 3.16Å; Y809-L811 VanDerWaalsContact O-N 3.12Å; L811-H813 VanDerWaalsContact C-N 3.3Å; L811-H813 PolarHBondContact O-N 3.28Å | ||
| 812 | N | 27.2 | Very low | 37.9 | Very low | 148 Ų | 148 | 125.7 Ų | 125.7 | 79% | 0.791 | 69% | 0.689 | S | S | * | * | trans | -71.3 | 56.8 | -178.8 | -81.4 | -24.1 | 0 | 0 | 0 | 114.4 | ||||
| 813 | H | 32.9 | Very low | 39.6 | Very low | 172 Ų | 172 | 121.9 Ų | 121.9 | 80% | 0.796 | 67% | 0.671 | S | S | * | * | trans | -124.5 | 77.6 | 165.6 | -83.4 | 34.1 | 0 | 0 | 0 | 109.3 | L811 I815 | L811-H813 VanDerWaalsContact C-N 3.3Å; L811-H813 PolarHBondContact O-N 3.28Å; H813-I815 PolarHBondContact O-N 3.04Å | ||
| 814 | S | 39.8 | Very low | 41.3 | Very low | 116 Ų | 116 | 115.6 Ų | 115.6 | 81% | 0.811 | 64% | 0.638 | S | S | * | * | trans | -65 | 92.8 | 168.7 | 46.3 | 0 | 0 | 0 | 0 | 109 | ||||
| 815 | I | 42.7 | Very low | 43.2 | Very low | 102 Ų | 102 | 110.8 Ų | 110.8 | 52% | 0.523 | 62% | 0.617 | S | S | . | * | P | Polyproline II helix | trans | -61 | 125 | 161 | -65 | 172.2 | 0 | 0 | 0 | 105.6 | H813 M817 I831 | H813-I815 PolarHBondContact O-N 3.04Å; I815-M817 PolarHBondContact O-N 3.03Å; I815-M817 VanDerWaalsContact O-N 3.13Å; I815-I831 HydrophobicContact CD1-CD1 4.01Å |
| 816 | P | 46.9 | Very low | 45 | Very low | 109 Ų | 109 | 105.9 Ų | 105.9 | 71% | 0.708 | 59% | 0.591 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 121.4 | -179.3 | 22.8 | -30.9 | 0 | 0 | 0 | 109.1 | ||
| 817 | M | 53.3 | Low | 46.5 | Very low | 105 Ų | 105 | 101.9 Ų | 101.9 | 52% | 0.517 | 56% | 0.562 | S | S | . | * | P | Polyproline II helix | trans | -61.2 | 134.4 | 173.1 | -64.6 | -70.9 | -93.8 | 0 | 0 | 108.5 | I815 G819 D824 L828 | I815-M817 PolarHBondContact O-N 3.03Å; I815-M817 VanDerWaalsContact O-N 3.13Å; M817-G819 PolarHBondContact O-N 2.75Å; M817-D824 WeakPolarHBondContact CB-OD2 3.5Å; M817-D824 HydrophobicContact CE-CB 3.45Å; M817-D824 VanDerWaalsContact CE-CB 3.45Å; M817-D824 HydrophobicContact SD-CB 3.96Å; M817-L828 HydrophobicContact CE-CD1 4.08Å |
| 818 | T | 59 | Low | 48.5 | Very low | 88 Ų | 88 | 97.7 Ų | 97.7 | 54% | 0.54 | 54% | 0.543 | S | S | . | . | trans | -70.4 | -14.6 | -176.8 | 54.7 | 0 | 0 | 0 | 0 | 112.7 | D820 V823 D824 I827 | T818-D820 PolarHBondContact O-N 2.83Å; T818-V823 HydrophobicContact CG2-CG1 4.26Å; T818-V823 WeakPolarHBondContact OG1-CG1 3.43Å; T818-D824 PolarHBondContact N-OD1 2.93Å; T818-D824 PolarHBondContact OG1-OD1 3.33Å; T818-I827 HydrophobicContact CG2-CD1 4.26Å | ||
| 819 | G | 55.4 | Low | 50.6 | Low | 66 Ų | 66 | 91.7 Ų | 91.7 | 68% | 0.68 | 51% | 0.511 | S | S | * | . | S | Bend | trans | 84.7 | -4.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113 | M817 D824 | M817-G819 PolarHBondContact O-N 2.75Å; G819-D824 PolarHBondContact N-OD2 3.02Å; G819-D824 VanDerWaalsContact N-OD2 3.17Å |
| 820 | D | 55.7 | Low | 52.5 | Low | 74 Ų | 74 | 83.6 Ų | 83.6 | 40% | 0.396 | 48% | 0.48 | S | S | . | . | trans | -92.2 | 112.4 | 166.8 | -175.3 | -28.5 | 0 | 0 | 0 | 108.6 | T818 V822 V823 D824 | T818-D820 PolarHBondContact O-N 2.83Å; D820-V822 PolarHBondContact O-N 2.71Å; D820-V822 VanDerWaalsContact O-N 3.12Å; D820-V822 WeakPolarHBondContact OD1-CB 3.22Å; D820-V822 PolarHBondContact OD1-N 2.93Å; D820-V823 HydrophobicContact CB-CB 3.98Å; D820-V823 HydrophobicContact CB-CG2 3.79Å; D820-V823 PolarHBondContact O-N 3.46Å; D820-V823 VanDerWaalsContact O-N 3.15Å; D820-D824 VanDerWaalsContact O-CB 3.27Å; D820-D824 WeakPolarHBondContact O-CB 3.27Å; D820-D824 PolarHBondContact O-N 3.39Å | ||
| 821 | P | 63.7 | Low | 54.3 | Low | 101 Ų | 101 | 78.1 Ų | 78.1 | 66% | 0.656 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -61.1 | -25 | -175.7 | 24.7 | -33.3 | 0 | 0 | 0 | 113.2 | A825 | P821-A825 VanDerWaalsContact O-CB 3.24Å; P821-A825 WeakPolarHBondContact O-CB 3.4Å; P821-A825 PolarHBondContact O-N 3.38Å |
| 822 | V | 59.4 | Low | 55.9 | Low | 97 Ų | 97 | 77.4 Ų | 77.4 | 59% | 0.588 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -75.4 | -47.5 | 177.2 | -177.7 | 0 | 0 | 0 | 0 | 110.2 | D820 D824 A825 D826 | D820-V822 PolarHBondContact O-N 2.71Å; D820-V822 VanDerWaalsContact O-N 3.12Å; D820-V822 WeakPolarHBondContact OD1-CB 3.22Å; D820-V822 PolarHBondContact OD1-N 2.93Å; V822-D824 VanDerWaalsContact C-N 3.29Å; V822-D824 PolarHBondContact O-N 2.93Å; V822-A825 PolarHBondContact O-N 3.44Å; V822-D826 PolarHBondContact O-N 3.34Å |
| 823 | V | 61 | Low | 57.4 | Low | 49 Ų | 49 | 70.7 Ų | 70.7 | 30% | 0.297 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -64.6 | -39.4 | 178 | 179.8 | 0 | 0 | 0 | 0 | 110.5 | T818 D820 D826 I827 | T818-V823 HydrophobicContact CG2-CG1 4.26Å; T818-V823 WeakPolarHBondContact OG1-CG1 3.43Å; D820-V823 HydrophobicContact CB-CB 3.98Å; D820-V823 HydrophobicContact CB-CG2 3.79Å; D820-V823 PolarHBondContact O-N 3.46Å; D820-V823 VanDerWaalsContact O-N 3.15Å; V823-D826 WeakPolarHBondContact O-CB 3.45Å; V823-D826 PolarHBondContact O-N 3.01Å; V823-I827 HydrophobicContact CG1-CD1 3.94Å; V823-I827 HydrophobicContact CG1-CG1 4.45Å; V823-I827 VanDerWaalsContact O-CG1 3.25Å; V823-I827 WeakPolarHBondContact O-CG1 3.5Å; V823-I827 PolarHBondContact O-N 3.15Å |
| 824 | D | 61.7 | Low | 58.5 | Low | 12 Ų | 12 | 69.2 Ų | 69.2 | 6% | 0.064 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -69.2 | -39.2 | 179.6 | -73.5 | -14.4 | 0 | 0 | 0 | 112.1 | M817 T818 G819 D820 V822 D826 I827 L828 | M817-D824 WeakPolarHBondContact CB-OD2 3.5Å; M817-D824 HydrophobicContact CE-CB 3.45Å; M817-D824 VanDerWaalsContact CE-CB 3.45Å; M817-D824 HydrophobicContact SD-CB 3.96Å; T818-D824 PolarHBondContact N-OD1 2.93Å; T818-D824 PolarHBondContact OG1-OD1 3.33Å; G819-D824 PolarHBondContact N-OD2 3.02Å; G819-D824 VanDerWaalsContact N-OD2 3.17Å; D820-D824 VanDerWaalsContact O-CB 3.27Å; D820-D824 WeakPolarHBondContact O-CB 3.27Å; D820-D824 PolarHBondContact O-N 3.39Å; V822-D824 VanDerWaalsContact C-N 3.29Å; V822-D824 PolarHBondContact O-N 2.93Å; D824-D826 VanDerWaalsContact C-N 3.33Å; D824-I827 PolarHBondContact O-N 3.48Å; D824-L828 WeakPolarHBondContact O-CG 2.87Å; D824-L828 PolarHBondContact O-N 3.19Å |
| 825 | A | 67.2 | Low | 59.5 | Low | 36 Ų | 36 | 69.1 Ų | 69.1 | 30% | 0.298 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -63.2 | -39.4 | 171 | 0 | 0 | 0 | 0 | 0 | 111.8 | P821 V822 L828 T829 | P821-A825 VanDerWaalsContact O-CB 3.24Å; P821-A825 WeakPolarHBondContact O-CB 3.4Å; P821-A825 PolarHBondContact O-N 3.38Å; V822-A825 PolarHBondContact O-N 3.44Å; A825-L828 PolarHBondContact O-N 3.38Å; A825-T829 WeakPolarHBondContact O-CB 3.16Å; A825-T829 PolarHBondContact O-N 2.83Å; A825-T829 PolarHBondContact O-OG1 3.29Å |
| 826 | D | 62.1 | Low | 60.5 | Low | 33 Ų | 33 | 68.6 Ų | 68.6 | 18% | 0.176 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -63.2 | -45.7 | 174.4 | -79.3 | -7.9 | 0 | 0 | 0 | 111.6 | S605 V822 V823 D824 L828 T829 F830 | S605-D826 WeakPolarHBondContact CB-OD2 3.22Å; S605-D826 PolarHBondContact OG-OD2 2.88Å; V822-D826 PolarHBondContact O-N 3.34Å; V823-D826 WeakPolarHBondContact O-CB 3.45Å; V823-D826 PolarHBondContact O-N 3.01Å; D824-D826 VanDerWaalsContact C-N 3.33Å; D826-L828 PolarHBondContact O-N 3.39Å; D826-T829 PolarHBondContact O-N 3.47Å; D826-F830 WeakPolarHBondContact O-CB 3.25Å; D826-F830 PolarHBondContact O-N 2.98Å |
| 827 | I | 59.7 | Low | 60.9 | Low | 38 Ų | 38 | 65.9 Ų | 65.9 | 20% | 0.195 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -60.3 | -44.9 | 177.5 | -70.3 | 164.9 | 0 | 0 | 0 | 110.7 | T818 V823 D824 F830 I831 | T818-I827 HydrophobicContact CG2-CD1 4.26Å; V823-I827 HydrophobicContact CG1-CD1 3.94Å; V823-I827 HydrophobicContact CG1-CG1 4.45Å; V823-I827 VanDerWaalsContact O-CG1 3.25Å; V823-I827 WeakPolarHBondContact O-CG1 3.5Å; V823-I827 PolarHBondContact O-N 3.15Å; D824-I827 PolarHBondContact O-N 3.48Å; I827-F830 WeakPolarHBondContact O-CB 3.38Å; I827-F830 PolarHBondContact O-N 3.19Å; I827-I831 HydrophobicContact CG2-CD1 3.93Å; I827-I831 WeakPolarHBondContact O-CG1 3.46Å; I827-I831 PolarHBondContact O-N 3.45Å |
| 828 | L | 67.1 | Low | 60.9 | Low | 75 Ų | 75 | 69.6 Ų | 69.6 | 39% | 0.393 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -65.6 | -41.5 | 178.7 | -73 | 170.9 | 0 | 0 | 0 | 112.2 | M817 D824 A825 D826 F830 I831 R832 | M817-L828 HydrophobicContact CE-CD1 4.08Å; D824-L828 WeakPolarHBondContact O-CG 2.87Å; D824-L828 PolarHBondContact O-N 3.19Å; A825-L828 PolarHBondContact O-N 3.38Å; D826-L828 PolarHBondContact O-N 3.39Å; L828-F830 VanDerWaalsContact C-N 3.3Å; L828-F830 PolarHBondContact O-N 3.02Å; L828-I831 PolarHBondContact O-N 3.33Å; L828-R832 PolarHBondContact O-N 3.41Å |
| 829 | T | 67.5 | Low | 60.9 | Low | 9 Ų | 9 | 67.9 Ų | 67.9 | 6% | 0.055 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -62.3 | -41.3 | 176.1 | -54.7 | 0 | 0 | 0 | 0 | 110.5 | W727 M730 Q734 A825 D826 A833 | W727-T829 HydrophobicContact CH2-CG2 4.24Å; W727-T829 HydrophobicContact CZ2-CG2 4.25Å; M730-T829 HydrophobicContact CB-CG2 4.48Å; Q734-T829 PolarHBondContact NE2-OG1 2.99Å; A825-T829 WeakPolarHBondContact O-CB 3.16Å; A825-T829 PolarHBondContact O-N 2.83Å; A825-T829 PolarHBondContact O-OG1 3.29Å; D826-T829 PolarHBondContact O-N 3.47Å; T829-A833 WeakPolarHBondContact O-CB 3.44Å; T829-A833 PolarHBondContact O-N 2.9Å |
| 830 | F | 66.1 | Low | 60.9 | Low | 26 Ų | 26 | 72 Ų | 72 | 11% | 0.114 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -61.2 | -49.1 | 174.3 | 170.4 | -99 | 0 | 0 | 0 | 113.3 | E610 A611 I614 D826 I827 L828 R832 A833 R834 | E610-F830 HydrophobicContact CB-CE2 3.81Å; E610-F830 HydrophobicContact CB-CZ 4.3Å; E610-F830 WeakPolarHBondContact OE2-CZ 3.31Å; A611-F830 HydrophobicContact CB-CD2 4.18Å; I614-F830 HydrophobicContact CD1-CE2 4.09Å; D826-F830 WeakPolarHBondContact O-CB 3.25Å; D826-F830 PolarHBondContact O-N 2.98Å; I827-F830 WeakPolarHBondContact O-CB 3.38Å; I827-F830 PolarHBondContact O-N 3.19Å; L828-F830 VanDerWaalsContact C-N 3.3Å; L828-F830 PolarHBondContact O-N 3.02Å; F830-R832 VanDerWaalsContact C-N 3.34Å; F830-R832 PolarHBondContact O-N 3.29Å; F830-A833 PolarHBondContact O-N 2.97Å; F830-R834 PolarHBondContact O-N 3.46Å |
| 831 | I | 62.8 | Low | 60.6 | Low | 42 Ų | 42 | 76.9 Ų | 76.9 | 22% | 0.215 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -59.7 | -45.1 | -178.4 | -67.8 | 166.6 | 0 | 0 | 0 | 110.7 | I815 I827 L828 R834 E835 | I815-I831 HydrophobicContact CD1-CD1 4.01Å; I827-I831 HydrophobicContact CG2-CD1 3.93Å; I827-I831 WeakPolarHBondContact O-CG1 3.46Å; I827-I831 PolarHBondContact O-N 3.45Å; L828-I831 PolarHBondContact O-N 3.33Å; I831-R834 PolarHBondContact O-N 3.49Å; I831-E835 PolarHBondContact O-N 2.97Å |
| 832 | R | 63.1 | Low | 60 | Low | 128 Ų | 128 | 76.4 Ų | 76.4 | 48% | 0.483 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -65.1 | -43.1 | 177.5 | -71.9 | -172.8 | -153.1 | 170.6 | 5.2 | 112.5 | L828 F830 R834 E835 K836 | L828-R832 PolarHBondContact O-N 3.41Å; F830-R832 VanDerWaalsContact C-N 3.34Å; F830-R832 PolarHBondContact O-N 3.29Å; R832-R834 VanDerWaalsContact C-N 3.27Å; R832-R834 PolarHBondContact O-N 2.85Å; R832-E835 PolarHBondContact O-N 3.18Å; R832-K836 PolarHBondContact O-N 3.3Å |
| 833 | A | 58 | Low | 59.7 | Low | 7 Ų | 7 | 76.4 Ų | 76.4 | 6% | 0.058 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -58.4 | -42.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | W726 T829 F830 K836 I837 | W726-A833 HydrophobicContact CH2-CB 3.76Å; W726-A833 HydrophobicContact CZ2-CB 3.95Å; T829-A833 WeakPolarHBondContact O-CB 3.44Å; T829-A833 PolarHBondContact O-N 2.9Å; F830-A833 PolarHBondContact O-N 2.97Å; A833-K836 PolarHBondContact O-N 3.01Å; A833-I837 WeakPolarHBondContact O-CG1 3.4Å; A833-I837 PolarHBondContact O-N 2.67Å |
| 834 | R | 56.4 | Low | 59.1 | Low | 141 Ų | 141 | 79.8 Ų | 79.8 | 53% | 0.532 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -63 | -42.3 | 176.2 | -165.1 | 178.8 | 75.5 | 171.2 | 2.2 | 112.5 | F830 I831 R832 I837 R838 | F830-R834 PolarHBondContact O-N 3.46Å; I831-R834 PolarHBondContact O-N 3.49Å; R832-R834 VanDerWaalsContact C-N 3.27Å; R832-R834 PolarHBondContact O-N 2.85Å; R834-I837 PolarHBondContact O-N 3.22Å; R834-R838 WeakPolarHBondContact O-CB 3.46Å; R834-R838 PolarHBondContact O-N 3.34Å |
| 835 | E | 61.3 | Low | 58.3 | Low | 114 Ų | 114 | 83.1 Ų | 83.1 | 53% | 0.533 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -67.3 | -37.5 | 176.3 | -74 | -178.8 | 168.2 | 0 | 0 | 112.7 | I831 R832 R838 S839 | I831-E835 PolarHBondContact O-N 2.97Å; R832-E835 PolarHBondContact O-N 3.18Å; E835-R838 PolarHBondContact O-N 3.05Å; E835-S839 WeakPolarHBondContact O-CB 3.45Å; E835-S839 PolarHBondContact O-N 3.36Å; E835-S839 PolarHBondContact O-OG 2.94Å |
| 836 | K | 62.2 | Low | 57.6 | Low | 90 Ų | 90 | 86.7 Ų | 86.7 | 39% | 0.391 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -65.9 | -40.6 | 174.2 | -106 | -177 | 178.2 | 179.9 | 0 | 112.5 | M730 E733 R832 A833 S839 K840 | M730-K836 HydrophobicContact SD-CD 4.35Å; E733-K836 VanDerWaalsContact CD-NZ 3.26Å; E733-K836 IonicContact OE1-NZ 3.15Å; E733-K836 PolarHBondContact OE1-NZ 3.36Å; E733-K836 VanDerWaalsContact OE1-NZ 3.08Å; E733-K836 IonicContact OE2-NZ 2.73Å; E733-K836 PolarHBondContact OE2-NZ 2.86Å; R832-K836 PolarHBondContact O-N 3.3Å; A833-K836 PolarHBondContact O-N 3.01Å; K836-S839 WeakPolarHBondContact CA-OG 3.46Å; K836-S839 PolarHBondContact O-N 2.89Å; K836-S839 PolarHBondContact O-OG 3.17Å; K836-K840 WeakPolarHBondContact O-CB 3.43Å; K836-K840 WeakPolarHBondContact O-CG 3.42Å; K836-K840 PolarHBondContact O-N 3.36Å |
| 837 | I | 56.9 | Low | 56.8 | Low | 53 Ų | 53 | 92.7 Ų | 92.7 | 27% | 0.272 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -64 | -44.5 | 173.7 | -67.2 | 167.6 | 0 | 0 | 0 | 110 | I614 W726 A833 R834 S839 K840 R841 | I614-I837 HydrophobicContact CG2-CD1 3.78Å; W726-I837 HydrophobicContact CZ2-CD1 4.25Å; A833-I837 WeakPolarHBondContact O-CG1 3.4Å; A833-I837 PolarHBondContact O-N 2.67Å; R834-I837 PolarHBondContact O-N 3.22Å; I837-S839 PolarHBondContact O-N 3.05Å; I837-K840 PolarHBondContact O-N 3.5Å; I837-R841 WeakPolarHBondContact O-CB 3.48Å; I837-R841 PolarHBondContact O-N 3.03Å |
| 838 | R | 53.7 | Low | 56.2 | Low | 183 Ų | 183 | 97.2 Ų | 97.2 | 69% | 0.691 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -64.1 | -38 | 178.2 | -162.5 | 178.2 | -175.7 | -175.2 | 1.5 | 112.5 | R834 E835 R841 L842 | R834-R838 WeakPolarHBondContact O-CB 3.46Å; R834-R838 PolarHBondContact O-N 3.34Å; E835-R838 PolarHBondContact O-N 3.05Å; R838-R841 PolarHBondContact O-N 2.95Å; R838-L842 HydrophobicContact CG-CD1 4.41Å; R838-L842 WeakPolarHBondContact O-CB 3.28Å; R838-L842 PolarHBondContact O-N 3.45Å |
| 839 | S | 57.7 | Low | 54.9 | Low | 51 Ų | 51 | 101.8 Ų | 101.8 | 36% | 0.357 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -74.1 | -37.6 | 176.4 | 50 | 0 | 0 | 0 | 0 | 112.8 | E835 K836 I837 R841 L842 N843 | E835-S839 WeakPolarHBondContact O-CB 3.45Å; E835-S839 PolarHBondContact O-N 3.36Å; E835-S839 PolarHBondContact O-OG 2.94Å; K836-S839 WeakPolarHBondContact CA-OG 3.46Å; K836-S839 PolarHBondContact O-N 2.89Å; K836-S839 PolarHBondContact O-OG 3.17Å; I837-S839 PolarHBondContact O-N 3.05Å; S839-R841 VanDerWaalsContact C-N 3.27Å; S839-R841 PolarHBondContact O-N 3.33Å; S839-L842 PolarHBondContact O-N 3.29Å; S839-N843 WeakPolarHBondContact O-CB 3.16Å; S839-N843 PolarHBondContact O-N 3.46Å |
| 840 | K | 55.2 | Low | 53.3 | Low | 154 Ų | 154 | 107.9 Ų | 107.9 | 67% | 0.67 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -58.1 | -41.2 | 168.4 | -82.5 | -174.4 | 176.8 | -178.3 | 0 | 111.4 | K836 I837 N843 M844 | K836-K840 WeakPolarHBondContact O-CB 3.43Å; K836-K840 WeakPolarHBondContact O-CG 3.42Å; K836-K840 PolarHBondContact O-N 3.36Å; I837-K840 PolarHBondContact O-N 3.5Å; K840-N843 PolarHBondContact O-N 3.43Å; K840-M844 WeakPolarHBondContact O-CB 3.5Å; K840-M844 WeakPolarHBondContact O-CG 3.43Å; K840-M844 PolarHBondContact O-N 2.8Å |
| 841 | R | 50.3 | Low | 51.9 | Low | 176 Ų | 176 | 111.5 Ų | 111.5 | 66% | 0.664 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -67.4 | -44.8 | 176.1 | -160.3 | 175.6 | -173.5 | 167.2 | 4.2 | 112.3 | I837 R838 S839 N843 M844 D845 | I837-R841 WeakPolarHBondContact O-CB 3.48Å; I837-R841 PolarHBondContact O-N 3.03Å; R838-R841 PolarHBondContact O-N 2.95Å; S839-R841 VanDerWaalsContact C-N 3.27Å; S839-R841 PolarHBondContact O-N 3.33Å; R841-N843 VanDerWaalsContact C-N 3.3Å; R841-N843 PolarHBondContact O-N 3.32Å; R841-M844 PolarHBondContact O-N 3.32Å; R841-D845 WeakPolarHBondContact O-CB 3.5Å; R841-D845 PolarHBondContact O-N 3.15Å |
| 842 | L | 50.5 | Low | 50.8 | Low | 90 Ų | 90 | 115.6 Ų | 115.6 | 47% | 0.471 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -60 | -38.3 | 173.6 | -87.4 | 153.4 | 0 | 0 | 0 | 112.2 | R838 S839 Q846 | R838-L842 HydrophobicContact CG-CD1 4.41Å; R838-L842 WeakPolarHBondContact O-CB 3.28Å; R838-L842 PolarHBondContact O-N 3.45Å; S839-L842 PolarHBondContact O-N 3.29Å; L842-Q846 VanDerWaalsContact O-CB 3.23Å; L842-Q846 WeakPolarHBondContact O-CB 3.24Å; L842-Q846 WeakPolarHBondContact O-CG 3.33Å; L842-Q846 PolarHBondContact O-N 3.18Å |
| 843 | N | 52.3 | Low | 49.3 | Very low | 98 Ų | 98 | 117.3 Ų | 117.3 | 52% | 0.524 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -69.9 | -40.5 | 175.5 | -79.6 | -13.1 | 0 | 0 | 0 | 112.4 | S839 K840 R841 Q847 | S839-N843 WeakPolarHBondContact O-CB 3.16Å; S839-N843 PolarHBondContact O-N 3.46Å; K840-N843 PolarHBondContact O-N 3.43Å; R841-N843 VanDerWaalsContact C-N 3.3Å; R841-N843 PolarHBondContact O-N 3.32Å; N843-Q847 WeakPolarHBondContact O-CG 3.39Å; N843-Q847 PolarHBondContact O-N 2.96Å |
| 844 | M | 49.1 | Very low | 48.1 | Very low | 120 Ų | 120 | 129.4 Ų | 129.4 | 59% | 0.591 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -63.9 | -45.2 | 172.9 | -76.6 | -94.8 | -73.2 | 0 | 0 | 111.3 | K840 R841 Q846 Q847 I848 | K840-M844 WeakPolarHBondContact O-CB 3.5Å; K840-M844 WeakPolarHBondContact O-CG 3.43Å; K840-M844 PolarHBondContact O-N 2.8Å; R841-M844 PolarHBondContact O-N 3.32Å; M844-Q846 PolarHBondContact O-N 3.47Å; M844-Q847 PolarHBondContact O-N 3.15Å; M844-I848 VanDerWaalsContact O-CG1 3.3Å; M844-I848 WeakPolarHBondContact O-CG1 3.37Å; M844-I848 PolarHBondContact O-N 3.15Å; M844-I848 VanDerWaalsContact O-N 3.09Å |
| 845 | D | 45.7 | Very low | 47.7 | Very low | 82 Ų | 82 | 128.9 Ų | 128.9 | 44% | 0.439 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -67.9 | -34.1 | 178.4 | -73.7 | -24.1 | 0 | 0 | 0 | 112 | R841 I848 K849 | R841-D845 WeakPolarHBondContact O-CB 3.5Å; R841-D845 PolarHBondContact O-N 3.15Å; D845-I848 PolarHBondContact O-N 3.06Å; D845-K849 WeakPolarHBondContact O-CB 3.36Å; D845-K849 PolarHBondContact O-N 3.34Å |
| 846 | Q | 51.2 | Low | 47 | Very low | 111 Ų | 111 | 129.6 Ų | 129.6 | 52% | 0.519 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -71.4 | -36 | 173.3 | -79.5 | 179.4 | 8.7 | 0 | 0 | 112.4 | L842 M844 I848 K849 N850 | L842-Q846 VanDerWaalsContact O-CB 3.23Å; L842-Q846 WeakPolarHBondContact O-CB 3.24Å; L842-Q846 WeakPolarHBondContact O-CG 3.33Å; L842-Q846 PolarHBondContact O-N 3.18Å; M844-Q846 PolarHBondContact O-N 3.47Å; Q846-I848 PolarHBondContact O-N 3.46Å; Q846-K849 PolarHBondContact O-N 3.21Å; Q846-K849 VanDerWaalsContact O-N 3.15Å; Q846-N850 PolarHBondContact O-N 3.31Å; Q846-N850 VanDerWaalsContact O-N 3.08Å |
| 847 | Q | 45 | Very low | 46.2 | Very low | 159 Ų | 159 | 131.8 Ų | 131.8 | 74% | 0.743 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -63.7 | -30.6 | 170.8 | -79.9 | -175.8 | -4.2 | 0 | 0 | 112 | N843 M844 | N843-Q847 WeakPolarHBondContact O-CG 3.39Å; N843-Q847 PolarHBondContact O-N 2.96Å; M844-Q847 PolarHBondContact O-N 3.15Å |
| 848 | I | 48 | Very low | 45.5 | Very low | 133 Ų | 133 | 136.5 Ų | 136.5 | 68% | 0.682 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -79.7 | -24.2 | 174.9 | -61.9 | 163.8 | 0 | 0 | 0 | 111.8 | M844 D845 Q846 | M844-I848 VanDerWaalsContact O-CG1 3.3Å; M844-I848 WeakPolarHBondContact O-CG1 3.37Å; M844-I848 PolarHBondContact O-N 3.15Å; M844-I848 VanDerWaalsContact O-N 3.09Å; D845-I848 PolarHBondContact O-N 3.06Å; Q846-I848 PolarHBondContact O-N 3.46Å |
| 849 | K | 40.8 | Very low | 45 | Very low | 170 Ų | 170 | 133.6 Ų | 133.6 | 74% | 0.739 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -102.7 | 3.9 | -176.3 | -79.7 | -169.7 | 178.4 | -177.8 | 0 | 116.6 | D845 Q846 P851 | D845-K849 WeakPolarHBondContact O-CB 3.36Å; D845-K849 PolarHBondContact O-N 3.34Å; Q846-K849 PolarHBondContact O-N 3.21Å; Q846-K849 VanDerWaalsContact O-N 3.15Å; K849-P851 WeakPolarHBondContact O-CD 3.41Å |
| 850 | N | 33.3 | Very low | 44.2 | Very low | 137 Ų | 137 | 139.1 Ų | 139.1 | 73% | 0.733 | 69% | 0.691 | S | S | * | * | trans | -86.1 | 97.5 | 164.8 | -87.7 | -9.5 | 0 | 0 | 0 | 109.2 | Q846 | Q846-N850 PolarHBondContact O-N 3.31Å; Q846-N850 VanDerWaalsContact O-N 3.08Å | ||
| 851 | P | 36.6 | Very low | 43.4 | Very low | 103 Ų | 103 | 138 Ų | 138 | 67% | 0.669 | 69% | 0.693 | S | S | * | * | trans | -65.3 | 138.6 | 165.6 | 32 | -34.4 | 0 | 0 | 0 | 107.5 | K849 I853 | K849-P851 WeakPolarHBondContact O-CD 3.41Å; P851-I853 PolarHBondContact O-N 3.48Å | ||
| 852 | C | 38.8 | Very low | 42.9 | Very low | 128 Ų | 128 | 135.1 Ų | 135.1 | 87% | 0.865 | 70% | 0.695 | S | S | * | * | trans | -43.3 | 112.3 | 173.9 | -57 | 0 | 0 | 0 | 0 | 111 | ||||
| 853 | I | 32.2 | Very low | 42.2 | Very low | 164 Ų | 164 | 138.8 Ų | 138.8 | 84% | 0.841 | 71% | 0.714 | S | S | * | * | trans | -112.6 | 76.3 | 157.4 | -58.8 | 176.7 | 0 | 0 | 0 | 105.1 | P851 | P851-I853 PolarHBondContact O-N 3.48Š| ||
| 854 | E | 33.8 | Very low | 41.3 | Very low | 261 Ų | 261 | 142.5 Ų | 142.5 | 100% | 1.22 | 73% | 0.731 | S | S | * | * | trans | 178.2 | 0 | 141.4 | -101.6 | -177.1 | 172.8 | 0 | 0 | 109 |
Retrieved 854 of 854 residues in 146.2 ms
(Link to these results)