| 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 | 81.9 | Confident | 83.4 | Confident | 91 Ų | 91 | 38.4 Ų | 38.4 | 45% | 0.448 | 21% | 0.209 | S | C | . | . | 0 | 136 | 0 | -169.4 | 173.1 | -78.2 | 0 | 0 | 107.4 | T70 G72 A103 P104 | M1-T70 CarbonylContact C-O 3.53Å; M1-T70 VanDerWaalsContact CA-O 3.24Å; M1-T70 WeakPolarHBondContact CA-O 3.41Å; M1-T70 WeakPolarHBondContact CE-OG1 3.4Å; M1-G72 VanDerWaalsContact CG-CA 3.5Å; M1-A103 HydrophobicContact CE-CB 4.29Å; M1-A103 HydrophobicContact SD-CB 3.85Å; M1-A103 VanDerWaalsContact SD-O 3.32Å; M1-P104 HydrophobicContact SD-CB 4.16Å; M1-P104 VanDerWaalsContact SD-CD 3.57Å; M1-P104 HydrophobicContact SD-CG 4.44Å | |||
| 2 | F | 83.4 | Confident | 83.4 | Confident | 6 Ų | 6 | 36.5 Ų | 36.5 | 3% | 0.026 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 146.1 | -174.4 | -60.4 | -76.4 | 0 | 0 | 0 | 110.8 | E6 V8 F44 L69 T70 M71 G72 Y459 R461 | F2-E6 VanDerWaalsContact CA-OE2 3.29Å; F2-E6 WeakPolarHBondContact CA-OE2 3.31Å; F2-E6 WeakPolarHBondContact CB-OE2 3.41Å; F2-V8 HydrophobicContact CB-CG2 3.99Å; F2-V8 HydrophobicContact CD1-CG1 4.44Å; F2-V8 HydrophobicContact CD1-CG2 3.55Å; F2-V8 HydrophobicContact CD2-CG1 4.2Å; F2-V8 HydrophobicContact CD2-CG2 3.88Å; F2-V8 HydrophobicContact CE1-CG1 3.97Å; F2-V8 HydrophobicContact CE1-CG2 3.88Å; F2-V8 HydrophobicContact CE2-CG1 3.66Å; F2-V8 HydrophobicContact CE2-CG2 4.16Å; F2-V8 HydrophobicContact CG-CG2 3.54Å; F2-V8 HydrophobicContact CZ-CG1 3.53Å; F2-V8 HydrophobicContact CZ-CG2 4.15Å; F2-F44 HydrophobicContact CB-CD1 3.77Å; F2-F44 HydrophobicContact CB-CE1 4.06Å; F2-F44 HydrophobicContact CB-CG 4.15Å; F2-F44 HydrophobicContact CD2-CE1 4.49Å; F2-F44 HydrophobicContact CD2-CE2 4.39Å; F2-F44 HydrophobicContact CD2-CZ 4.31Å; F2-L69 HydrophobicContact CD2-CB 4.41Å; F2-L69 HydrophobicContact CE2-CB 4.23Å; F2-L69 HydrophobicContact CE2-CD1 3.98Å; F2-L69 HydrophobicContact CE2-CD2 3.75Å; F2-L69 HydrophobicContact CE2-CG 4.17Å; F2-T70 PolarHBondContact N-O 3.44Å; F2-M71 WeakPolarHBondContact O-CA 3.49Å; F2-G72 PolarHBondContact O-N 2.69Å; F2-Y459 HydrophobicContact CE1-CD2 4.27Å; F2-Y459 HydrophobicContact CE2-CD2 4.36Å; F2-Y459 AromaticContact CZ-CD2 3.47Å; F2-Y459 HydrophobicContact CZ-CD2 3.47Å; F2-Y459 VanDerWaalsContact CZ-CD2 3.47Å; F2-Y459 HydrophobicContact CZ-CE2 4.02Å; F2-Y459 HydrophobicContact CZ-CG 4.15Å; F2-R461 HydrophobicContact CD1-CB 4.19Å; F2-R461 HydrophobicContact CE1-CB 3.99Å |
| 3 | G | 82.1 | Confident | 83.1 | Confident | 11 Ų | 11 | 39.4 Ų | 39.4 | 11% | 0.113 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 154.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | G5 E6 | G3-G5 PolarHBondContact O-N 3.25Å; G3-E6 PolarHBondContact N-OE2 3.25Å; G3-E6 PolarHBondContact O-N 2.93Å |
| 4 | F | 82.8 | Confident | 82.6 | Confident | 154 Ų | 154 | 37.8 Ų | 37.8 | 68% | 0.675 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | 133.3 | 170.7 | 176.5 | -97.9 | 0 | 0 | 0 | 110.5 | E6 F44 D45 M71 | F4-E6 VanDerWaalsContact C-N 3.29Å; F4-E6 PolarHBondContact O-N 2.77Å; F4-F44 WeakPolarHBondContact CA-O 3.37Å; F4-D45 HydrophobicContact CD2-CB 4.07Å; F4-D45 HydrophobicContact CE2-CB 3.91Å; F4-M71 HydrophobicContact CB-CE 4.35Å; F4-M71 HydrophobicContact CD2-CE 4.02Å |
| 5 | G | 81.5 | Confident | 82 | Confident | 32 Ų | 32 | 44 Ų | 44 | 33% | 0.33 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 84.7 | -8.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | G3 F44 | G3-G5 PolarHBondContact O-N 3.25Å; G5-F44 PolarHBondContact N-O 2.94Å |
| 6 | E | 81.3 | Confident | 81.2 | Confident | 38 Ų | 38 | 43.2 Ų | 43.2 | 18% | 0.178 | 23% | 0.232 | C | C | . | . | trans | -64.4 | 148.2 | 175.5 | -73.5 | -169.5 | 139.9 | 0 | 0 | 111.4 | F2 G3 F4 F44 R461 | F2-E6 VanDerWaalsContact CA-OE2 3.29Å; F2-E6 WeakPolarHBondContact CA-OE2 3.31Å; F2-E6 WeakPolarHBondContact CB-OE2 3.41Å; G3-E6 PolarHBondContact N-OE2 3.25Å; G3-E6 PolarHBondContact O-N 2.93Å; F4-E6 VanDerWaalsContact C-N 3.29Å; F4-E6 PolarHBondContact O-N 2.77Å; E6-F44 VanDerWaalsContact O-CB 3.32Å; E6-F44 WeakPolarHBondContact O-CB 3.44Å; E6-F44 PolarHBondContact O-N 2.9Å; E6-R461 IonicContact OE1-CZ 3.28Å; E6-R461 IonicContact OE1-NH1 2.86Å; E6-R461 PolarHBondContact OE1-NH1 2.93Å | ||
| 7 | T | 83.9 | Confident | 80.1 | Confident | 31 Ų | 31 | 46.2 Ų | 46.2 | 19% | 0.19 | 26% | 0.255 | C | S | . | . | trans | -91.3 | 117.7 | 171.8 | -60.9 | 0 | 0 | 0 | 0 | 109.6 | F9 M40 I41 R461 M462 | T7-F9 HydrophobicContact CG2-CE2 4.06Å; T7-F9 HydrophobicContact CG2-CZ 4.06Å; T7-M40 HydrophobicContact CG2-CE 3.52Å; T7-M40 HydrophobicContact CG2-CG 4.03Å; T7-I41 WeakPolarHBondContact CA-O 3.43Å; T7-R461 WeakPolarHBondContact O-CA 3.49Å; T7-M462 HydrophobicContact CG2-SD 4.16Å; T7-M462 PolarHBondContact O-N 3.03Å; T7-M462 VanDerWaalsContact O-N 3.16Å | ||
| 8 | V | 85.1 | Confident | 78.9 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 131.7 | -175.9 | -178.1 | 0 | 0 | 0 | 0 | 109.3 | F2 V10 I41 F44 L69 S460 | F2-V8 HydrophobicContact CB-CG2 3.99Å; F2-V8 HydrophobicContact CD1-CG1 4.44Å; F2-V8 HydrophobicContact CD1-CG2 3.55Å; F2-V8 HydrophobicContact CD2-CG1 4.2Å; F2-V8 HydrophobicContact CD2-CG2 3.88Å; F2-V8 HydrophobicContact CE1-CG1 3.97Å; F2-V8 HydrophobicContact CE1-CG2 3.88Å; F2-V8 HydrophobicContact CE2-CG1 3.66Å; F2-V8 HydrophobicContact CE2-CG2 4.16Å; F2-V8 HydrophobicContact CG-CG2 3.54Å; F2-V8 HydrophobicContact CZ-CG1 3.53Å; F2-V8 HydrophobicContact CZ-CG2 4.15Å; V8-V10 HydrophobicContact CG1-CG2 4.1Å; V8-I41 HydrophobicContact CB-CB 4.39Å; V8-I41 PolarHBondContact N-O 2.88Å; V8-I41 PolarHBondContact O-N 2.85Å; V8-F44 HydrophobicContact CB-CD2 4.32Å; V8-F44 HydrophobicContact CG2-CB 3.91Å; V8-F44 HydrophobicContact CG2-CD2 3.88Å; V8-F44 HydrophobicContact CG2-CG 4.02Å; V8-L69 HydrophobicContact CG1-CD1 4.34Å; V8-S460 WeakPolarHBondContact CA-O 3.49Å |
| 9 | F | 85.6 | Confident | 77.9 | Confident | 28 Ų | 28 | 44.8 Ų | 44.8 | 12% | 0.123 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 134.9 | 170.3 | -59 | -86.1 | 0 | 0 | 0 | 109.2 | T7 K38 K39 M40 Y459 S460 M462 | T7-F9 HydrophobicContact CG2-CE2 4.06Å; T7-F9 HydrophobicContact CG2-CZ 4.06Å; F9-K38 HydrophobicContact CB-CD 4.42Å; F9-K38 HydrophobicContact CB-CG 4.22Å; F9-K38 HydrophobicContact CD1-CD 4.18Å; F9-K38 HydrophobicContact CD1-CG 4.25Å; F9-K39 CarbonylContact C-O 3.54Å; F9-K39 WeakPolarHBondContact CA-O 3.13Å; F9-M40 HydrophobicContact CD1-CB 3.88Å; F9-M40 HydrophobicContact CD1-CG 3.89Å; F9-M40 HydrophobicContact CE1-CB 3.83Å; F9-M40 HydrophobicContact CE1-CE 3.95Å; F9-M40 HydrophobicContact CE1-CG 3.46Å; F9-M40 VanDerWaalsContact CE1-CG 3.46Å; F9-M40 HydrophobicContact CE1-SD 3.72Å; F9-M40 HydrophobicContact CZ-CE 3.78Å; F9-M40 HydrophobicContact CZ-CG 4.11Å; F9-M40 HydrophobicContact CZ-SD 4.19Å; F9-Y459 CarbonylContact O-C 3.51Å; F9-Y459 WeakPolarHBondContact O-CA 3.47Å; F9-Y459 WeakPolarHBondContact O-CB 3.41Å; F9-S460 PolarHBondContact N-O 3.41Å; F9-S460 PolarHBondContact O-N 2.02Å; F9-M462 HydrophobicContact CE2-CG 3.82Å; F9-M462 HydrophobicContact CE2-SD 3.74Å; F9-M462 HydrophobicContact CZ-CG 4.46Å; F9-M462 HydrophobicContact CZ-SD 3.8Å |
| 10 | V | 86.3 | Confident | 76.7 | Confident | 1 Ų | 1 | 47.8 Ų | 47.8 | 1% | 0.006 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 126.1 | 174.7 | -171.2 | 0 | 0 | 0 | 0 | 108.3 | V8 L26 K39 I41 Y52 L69 V457 H458 | V8-V10 HydrophobicContact CG1-CG2 4.1Å; V10-L26 HydrophobicContact CB-CD2 4.06Å; V10-L26 HydrophobicContact CG1-CD1 3.88Å; V10-L26 HydrophobicContact CG1-CD2 3.85Å; V10-K39 PolarHBondContact N-O 2.97Å; V10-K39 PolarHBondContact O-N 3.43Å; V10-I41 HydrophobicContact CG2-CD1 4.12Å; V10-Y52 HydrophobicContact CG1-CD1 3.88Å; V10-Y52 HydrophobicContact CG1-CE1 4.39Å; V10-Y52 HydrophobicContact CG1-CG 4.39Å; V10-Y52 HydrophobicContact CG2-CE1 4.29Å; V10-L69 HydrophobicContact CG2-CD1 3.64Å; V10-V457 HydrophobicContact CG1-CG1 3.69Å; V10-H458 CarbonylContact C-O 3.56Å; V10-H458 VanDerWaalsContact CA-O 3.28Å; V10-H458 WeakPolarHBondContact CA-O 3.14Å |
| 11 | S | 84 | Confident | 75.8 | Confident | 30 Ų | 30 | 49.6 Ų | 49.6 | 21% | 0.21 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 155.6 | -178.6 | 45.2 | 0 | 0 | 0 | 0 | 111.7 | E37 H458 | S11-E37 VanDerWaalsContact CA-O 3.22Å; S11-E37 WeakPolarHBondContact CA-O 3.43Å; S11-E37 WeakPolarHBondContact CB-O 3.3Å; S11-H458 PolarHBondContact N-O 3.03Å; S11-H458 PolarHBondContact O-N 3.1Å; S11-H458 WeakPolarHBondContact OG-CB 3.42Å |
| 12 | C | 83.4 | Confident | 75 | Confident | 16 Ų | 16 | 50.7 Ų | 50.7 | 11% | 0.108 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 132.3 | 171.6 | -69 | 0 | 0 | 0 | 0 | 109.1 | L24 E37 C54 | C12-L24 HydrophobicContact CB-CB 3.64Å; C12-L24 HydrophobicContact CB-CD1 3.6Å; C12-L24 HydrophobicContact CB-CG 4.24Å; C12-E37 PolarHBondContact N-O 2.76Å; C12-C54 WeakPolarHBondContact CA-SG 3.45Å; C12-C54 HydrophobicContact CB-CB 3.79Å; C12-C54 WeakPolarHBondContact CB-SG 3.33Å; C12-C54 WeakPolarHBondContact SG-CB 3.15Å; C12-C54 CovalentContact SG-SG 2.02Å; C12-C54 PolarHBondContact SG-SG 2.76Å |
| 13 | Q | 78.9 | Confident | 74.7 | Confident | 74 Ų | 74 | 53.8 Ų | 53.8 | 35% | 0.346 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 137.7 | 172.7 | -168.3 | 169.3 | 21.3 | 0 | 0 | 109.8 | T456 H458 | Q13-T456 PolarHBondContact N-O 3.35Å; Q13-T456 PolarHBondContact O-N 3.02Å; Q13-T456 PolarHBondContact O-OG1 2.88Å; Q13-H458 VanDerWaalsContact CB-CD2 3.48Å; Q13-H458 WeakPolarHBondContact CB-CD2 3.43Å; Q13-H458 WeakPolarHBondContact CB-NE2 3.28Å; Q13-H458 PolarHBondContact OE1-CE1 2.79Å; Q13-H458 PolarHBondContact OE1-NE2 2.93Å; Q13-H458 VanDerWaalsContact OE1-NE2 3.1Å |
| 14 | A | 76.3 | Confident | 74.8 | Confident | 17 Ų | 17 | 54.2 Ų | 54.2 | 14% | 0.14 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 143.6 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | A18 A19 L24 I455 | A14-A18 HydrophobicContact CB-CB 3.8Å; A14-A18 WeakPolarHBondContact CB-O 3.4Å; A14-A19 WeakPolarHBondContact O-CB 3.29Å; A14-L24 HydrophobicContact CB-CD1 3.89Å; A14-I455 HydrophobicContact CB-CG1 4.36Å |
| 15 | R | 73 | Confident | 74.9 | Confident | 131 Ų | 131 | 47 Ų | 47 | 49% | 0.494 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 153.4 | 176.6 | -73.1 | -168.8 | 174.6 | -168.2 | 0.1 | 111.4 | F454 | R15-F454 HydrophobicContact CB-CD2 4.37Å; R15-F454 HydrophobicContact CB-CE1 4.38Å; R15-F454 HydrophobicContact CB-CE2 3.9Å; R15-F454 HydrophobicContact CB-CZ 3.92Å; R15-F454 HydrophobicContact CG-CE2 4.06Å; R15-F454 HydrophobicContact CG-CZ 4.21Å; R15-F454 PolarHBondContact N-O 2.94Å; R15-F454 PolarHBondContact O-N 3.38Å |
| 16 | G | 69.3 | Low | 75.3 | Confident | 31 Ų | 31 | 45.7 Ų | 45.7 | 32% | 0.32 | 28% | 0.283 | S | S | . | . | G | 310 helix | trans | 75.7 | -143.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | A18 A19 P20 N453 | G16-A18 PolarHBondContact O-N 2.76Å; G16-A19 VanDerWaalsContact O-CB 3.28Å; G16-A19 WeakPolarHBondContact O-CB 3.19Å; G16-A19 PolarHBondContact O-N 2.85Å; G16-P20 WeakPolarHBondContact O-CD 3.21Å; G16-N453 VanDerWaalsContact CA-OD1 3.31Å; G16-N453 WeakPolarHBondContact CA-OD1 3.2Å |
| 17 | C | 62.4 | Low | 75.6 | Confident | 94 Ų | 94 | 45.9 Ų | 45.9 | 64% | 0.635 | 28% | 0.282 | S | S | * | . | G | 310 helix | trans | -60.4 | -11 | 175.6 | -58.2 | 0 | 0 | 0 | 0 | 113.9 | N453 | C17-N453 PolarHBondContact N-OD1 3.43Š|
| 18 | A | 59.5 | Low | 75.9 | Confident | 14 Ų | 14 | 46.7 Ų | 46.7 | 12% | 0.116 | 28% | 0.282 | C | S | . | . | G | 310 helix | trans | -85 | -10.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | A14 G16 I455 | A14-A18 HydrophobicContact CB-CB 3.8Å; A14-A18 WeakPolarHBondContact CB-O 3.4Å; G16-A18 PolarHBondContact O-N 2.76Å; A18-I455 HydrophobicContact CB-CG1 4.28Å |
| 19 | A | 59.4 | Low | 76.1 | Confident | 53 Ų | 53 | 51.9 Ų | 51.9 | 44% | 0.438 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -87.8 | -40 | -171.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | A14 G16 G21 | A14-A19 WeakPolarHBondContact O-CB 3.29Å; G16-A19 VanDerWaalsContact O-CB 3.28Å; G16-A19 WeakPolarHBondContact O-CB 3.19Å; G16-A19 PolarHBondContact O-N 2.85Å; A19-G21 PolarHBondContact O-N 3.03Å |
| 20 | P | 53.8 | Low | 76.1 | Confident | 103 Ų | 103 | 52.9 Ų | 52.9 | 67% | 0.669 | 33% | 0.328 | S | S | * | . | S | Bend | trans | -78 | 116 | -174.4 | -11.7 | 27.3 | 0 | 0 | 0 | 111.8 | G16 R22 | G16-P20 WeakPolarHBondContact O-CD 3.21Å; P20-R22 PolarHBondContact O-N 3.21Å |
| 21 | G | 58 | Low | 76.2 | Confident | 86 Ų | 86 | 57.8 Ų | 57.8 | 89% | 0.887 | 35% | 0.353 | S | S | * | . | S | Bend | trans | 72.5 | 11.5 | 163.6 | 0 | 0 | 0 | 0 | 0 | 117.4 | A19 | A19-G21 PolarHBondContact O-N 3.03Š|
| 22 | R | 65.8 | Low | 76.4 | Confident | 114 Ų | 114 | 60.5 Ų | 60.5 | 43% | 0.43 | 37% | 0.365 | S | S | . | . | trans | -100.2 | 119.7 | 178.1 | -67.9 | -167.9 | 177 | 172.3 | 1.5 | 111.6 | P20 | P20-R22 PolarHBondContact O-N 3.21Š| ||
| 23 | S | 77.3 | Confident | 76.5 | Confident | 71 Ų | 71 | 61.5 Ų | 61.5 | 50% | 0.497 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 133.9 | 169.4 | -54.5 | 0 | 0 | 0 | 0 | 109.8 | I57 | S23-I57 WeakPolarHBondContact O-CB 3.44Å; S23-I57 WeakPolarHBondContact O-CG1 3.39Å; S23-I57 PolarHBondContact O-N 2.73Å |
| 24 | L | 83.3 | Confident | 76.7 | Confident | 21 Ų | 21 | 59.4 Ų | 59.4 | 11% | 0.11 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 133.7 | 176.7 | -63.3 | 169.8 | 0 | 0 | 0 | 109 | C12 A14 S35 R55 P56 I455 | C12-L24 HydrophobicContact CB-CB 3.64Å; C12-L24 HydrophobicContact CB-CD1 3.6Å; C12-L24 HydrophobicContact CB-CG 4.24Å; A14-L24 HydrophobicContact CB-CD1 3.89Å; L24-S35 CarbonylContact O-C 3.56Å; L24-S35 VanDerWaalsContact O-CA 3.32Å; L24-S35 WeakPolarHBondContact O-CA 3.48Å; L24-R55 WeakPolarHBondContact CA-O 3.33Å; L24-P56 HydrophobicContact CD2-CG 4.45Å; L24-I455 HydrophobicContact CD1-CG2 4.41Å; L24-I455 HydrophobicContact CD2-CD1 4.34Å; L24-I455 HydrophobicContact CD2-CG2 4.15Å |
| 25 | A | 86.1 | Confident | 76.6 | Confident | 2 Ų | 2 | 61.7 Ų | 61.7 | 2% | 0.017 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 133.4 | 169 | 0 | 0 | 0 | 0 | 0 | 110.1 | Y27 G34 C54 R55 I57 | A25-Y27 HydrophobicContact CB-CD2 4.29Å; A25-Y27 HydrophobicContact CB-CE2 3.54Å; A25-Y27 WeakPolarHBondContact O-CD2 3.39Å; A25-G34 WeakPolarHBondContact CA-O 3.37Å; A25-C54 WeakPolarHBondContact O-CA 3.4Å; A25-R55 PolarHBondContact N-O 2.84Å; A25-R55 PolarHBondContact O-N 3.33Å; A25-I57 HydrophobicContact CB-CD1 3.85Å; A25-I57 HydrophobicContact CB-CG1 3.93Å |
| 26 | L | 88.2 | Confident | 76.2 | Confident | 5 Ų | 5 | 60.5 Ų | 60.5 | 3% | 0.026 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 133.6 | 173.9 | -175.5 | 69.5 | 0 | 0 | 0 | 109.7 | V10 L33 G34 K39 Y52 | V10-L26 HydrophobicContact CB-CD2 4.06Å; V10-L26 HydrophobicContact CG1-CD1 3.88Å; V10-L26 HydrophobicContact CG1-CD2 3.85Å; L26-L33 HydrophobicContact CB-CB 4.48Å; L26-L33 HydrophobicContact CD2-CD1 4.08Å; L26-L33 HydrophobicContact CG-CD1 4.32Å; L26-L33 WeakPolarHBondContact O-CB 3.47Å; L26-L33 PolarHBondContact O-N 2.81Å; L26-G34 PolarHBondContact N-O 3Å; L26-K39 HydrophobicContact CD2-CB 3.84Å; L26-K39 HydrophobicContact CD2-CG 4.41Å; L26-Y52 HydrophobicContact CD1-CD1 4.12Å; L26-Y52 HydrophobicContact CD2-CD1 4.1Å; L26-Y52 HydrophobicContact CD2-CE1 4.33Å; L26-Y52 HydrophobicContact CG-CD1 4.18Å |
| 27 | Y | 87.8 | Confident | 76 | Confident | 41 Ų | 41 | 67.2 Ų | 67.2 | 16% | 0.161 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 144 | 177.9 | -70.4 | -102.9 | 0 | 0 | 0 | 110.4 | A25 G30 L31 N32 Y52 T53 R55 | A25-Y27 HydrophobicContact CB-CD2 4.29Å; A25-Y27 HydrophobicContact CB-CE2 3.54Å; A25-Y27 WeakPolarHBondContact O-CD2 3.39Å; Y27-G30 WeakPolarHBondContact CD1-O 3.31Å; Y27-L31 CarbonylContact C-O 3.58Å; Y27-L31 WeakPolarHBondContact CA-O 3.33Å; Y27-N32 HydrophobicContact CD1-CB 4.1Å; Y27-N32 HydrophobicContact CE1-CB 3.68Å; Y27-Y52 CarbonylContact O-C 3.57Å; Y27-Y52 VanDerWaalsContact O-CA 3.22Å; Y27-Y52 WeakPolarHBondContact O-CA 3.42Å; Y27-T53 PolarHBondContact N-O 2.82Å; Y27-T53 PolarHBondContact O-N 3.42Å; Y27-R55 HydrophobicContact CD2-CB 4.15Å; Y27-R55 HydrophobicContact CD2-CG 3.8Å; Y27-R55 HydrophobicContact CE2-CB 3.73Å; Y27-R55 HydrophobicContact CE2-CG 3.76Å |
| 28 | R | 90.7 | Very high | 76.6 | Confident | 48 Ų | 48 | 68.3 Ų | 68.3 | 18% | 0.181 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 120.4 | 170.5 | 176.7 | -171.9 | 71.4 | -171.7 | 7 | 109.4 | G30 L31 L33 Q47 A51 Y52 | R28-G30 PolarHBondContact O-N 2.94Å; R28-G30 VanDerWaalsContact O-N 3.09Å; R28-L31 PolarHBondContact N-O 2.84Å; R28-L31 WeakPolarHBondContact O-CB 3.48Å; R28-L31 PolarHBondContact O-N 3.33Å; R28-L33 HydrophobicContact CB-CD1 3.67Å; R28-L33 HydrophobicContact CB-CD2 4.38Å; R28-L33 HydrophobicContact CB-CG 4.13Å; R28-Q47 PolarHBondContact NH1-O 3.03Å; R28-Q47 PolarHBondContact NH2-O 2.8Å; R28-A51 WeakPolarHBondContact CA-O 3.24Å; R28-Y52 HydrophobicContact CB-CD1 4.2Å; R28-Y52 HydrophobicContact CB-CE1 3.98Å; R28-Y52 HydrophobicContact CB-CE2 4.39Å; R28-Y52 WeakPolarHBondContact CD-OH 3.45Å; R28-Y52 HydrophobicContact CG-CD2 4.32Å; R28-Y52 HydrophobicContact CG-CE1 4.26Å; R28-Y52 HydrophobicContact CG-CE2 3.84Å |
| 29 | N | 89.8 | Confident | 77.8 | Confident | 110 Ų | 110 | 71.3 Ų | 71.3 | 59% | 0.588 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.7 | 33.5 | -175.6 | -57.6 | -24.2 | 0 | 0 | 0 | 112.6 | L31 G50 A51 | N29-L31 PolarHBondContact O-N 3.18Å; N29-G50 VanDerWaalsContact OD1-CA 3.29Å; N29-G50 WeakPolarHBondContact OD1-CA 3.49Å; N29-A51 PolarHBondContact N-O 3.14Å; N29-A51 PolarHBondContact OD1-N 2.72Å |
| 30 | G | 84.9 | Confident | 79 | Confident | 49 Ų | 49 | 73.2 Ų | 73.2 | 51% | 0.505 | 41% | 0.414 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.1 | -8.6 | -176.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | Y27 R28 | Y27-G30 WeakPolarHBondContact CD1-O 3.31Å; R28-G30 PolarHBondContact O-N 2.94Å; R28-G30 VanDerWaalsContact O-N 3.09Å |
| 31 | L | 88.4 | Confident | 80.5 | Confident | 103 Ų | 103 | 68.8 Ų | 68.8 | 54% | 0.539 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 128.2 | 174.2 | -178.2 | 67.8 | 0 | 0 | 0 | 111.1 | Y27 R28 N29 L33 | Y27-L31 CarbonylContact C-O 3.58Å; Y27-L31 WeakPolarHBondContact CA-O 3.33Å; R28-L31 PolarHBondContact N-O 2.84Å; R28-L31 WeakPolarHBondContact O-CB 3.48Å; R28-L31 PolarHBondContact O-N 3.33Å; N29-L31 PolarHBondContact O-N 3.18Å; L31-L33 HydrophobicContact CD2-CD2 4.38Å; L31-L33 PolarHBondContact O-N 3.47Å |
| 32 | N | 87.4 | Confident | 81.7 | Confident | 87 Ų | 87 | 69.6 Ų | 69.6 | 47% | 0.465 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 121.5 | 176.5 | -173.9 | 2.3 | 0 | 0 | 0 | 111.1 | Y27 G34 | Y27-N32 HydrophobicContact CD1-CB 4.1Å; Y27-N32 HydrophobicContact CE1-CB 3.68Å; N32-G34 PolarHBondContact OD1-N 2.81Å |
| 33 | L | 86.3 | Confident | 82.6 | Confident | 38 Ų | 38 | 73.2 Ų | 73.2 | 20% | 0.199 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | -2.3 | -179.8 | -59.9 | -175.6 | 0 | 0 | 0 | 113.8 | L26 R28 L31 Y52 | L26-L33 HydrophobicContact CB-CB 4.48Å; L26-L33 HydrophobicContact CD2-CD1 4.08Å; L26-L33 HydrophobicContact CG-CD1 4.32Å; L26-L33 WeakPolarHBondContact O-CB 3.47Å; L26-L33 PolarHBondContact O-N 2.81Å; R28-L33 HydrophobicContact CB-CD1 3.67Å; R28-L33 HydrophobicContact CB-CD2 4.38Å; R28-L33 HydrophobicContact CB-CG 4.13Å; L31-L33 HydrophobicContact CD2-CD2 4.38Å; L31-L33 PolarHBondContact O-N 3.47Å; L33-Y52 HydrophobicContact CD1-CD1 4.24Å; L33-Y52 HydrophobicContact CD1-CE1 3.64Å |
| 34 | G | 82.9 | Confident | 83 | Confident | 30 Ų | 30 | 69.9 Ų | 69.9 | 31% | 0.309 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 110.3 | 175.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | A25 L26 N32 | A25-G34 WeakPolarHBondContact CA-O 3.37Å; L26-G34 PolarHBondContact N-O 3Å; N32-G34 PolarHBondContact OD1-N 2.81Å |
| 35 | S | 74.3 | Confident | 83.3 | Confident | 65 Ų | 65 | 70.6 Ų | 70.6 | 46% | 0.455 | 36% | 0.363 | S | S | . | . | S | Bend | trans | -98.6 | 17.4 | -173.6 | 62.8 | 0 | 0 | 0 | 0 | 114.9 | L24 | L24-S35 CarbonylContact O-C 3.56Å; L24-S35 VanDerWaalsContact O-CA 3.32Å; L24-S35 WeakPolarHBondContact O-CA 3.48Å |
| 36 | N | 65.5 | Low | 83.3 | Confident | 106 Ų | 106 | 76.8 Ų | 76.8 | 57% | 0.567 | 39% | 0.392 | S | S | * | . | trans | -74 | 134.3 | -177.7 | -72.4 | 3.8 | 0 | 0 | 0 | 110.4 | K38 | N36-K38 PolarHBondContact O-N 2.83Å; N36-K38 VanDerWaalsContact O-N 3.08Å | ||
| 37 | E | 65.3 | Low | 83.4 | Confident | 171 Ų | 171 | 83.6 Ų | 83.6 | 80% | 0.799 | 42% | 0.424 | S | S | * | . | S | Bend | trans | -55.4 | -30.4 | 177.7 | -64 | -175.1 | 168.5 | 0 | 0 | 112.2 | S11 C12 | S11-E37 VanDerWaalsContact CA-O 3.22Å; S11-E37 WeakPolarHBondContact CA-O 3.43Å; S11-E37 WeakPolarHBondContact CB-O 3.3Å; C12-E37 PolarHBondContact N-O 2.76Å |
| 38 | K | 74.6 | Confident | 83.5 | Confident | 117 Ų | 117 | 83.8 Ų | 83.8 | 51% | 0.509 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 121.1 | 176.6 | -168 | 175.3 | -177.9 | -173 | 0 | 110.8 | F9 N36 | F9-K38 HydrophobicContact CB-CD 4.42Å; F9-K38 HydrophobicContact CB-CG 4.22Å; F9-K38 HydrophobicContact CD1-CD 4.18Å; F9-K38 HydrophobicContact CD1-CG 4.25Å; N36-K38 PolarHBondContact O-N 2.83Å; N36-K38 VanDerWaalsContact O-N 3.08Å |
| 39 | K | 84.1 | Confident | 83.4 | Confident | 78 Ų | 78 | 82.4 Ų | 82.4 | 34% | 0.339 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 123.5 | 171.8 | -172.7 | 71.3 | 175.4 | -167.8 | 0 | 109.5 | F9 V10 L26 | F9-K39 CarbonylContact C-O 3.54Å; F9-K39 WeakPolarHBondContact CA-O 3.13Å; V10-K39 PolarHBondContact N-O 2.97Å; V10-K39 PolarHBondContact O-N 3.43Å; L26-K39 HydrophobicContact CD2-CB 3.84Å; L26-K39 HydrophobicContact CD2-CG 4.41Å |
| 40 | M | 84.6 | Confident | 83.4 | Confident | 92 Ų | 92 | 77.9 Ų | 77.9 | 45% | 0.453 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 127.9 | 171.2 | -173.4 | 177.4 | -167.2 | 0 | 0 | 109.3 | T7 F9 N42 | T7-M40 HydrophobicContact CG2-CE 3.52Å; T7-M40 HydrophobicContact CG2-CG 4.03Å; F9-M40 HydrophobicContact CD1-CB 3.88Å; F9-M40 HydrophobicContact CD1-CG 3.89Å; F9-M40 HydrophobicContact CE1-CB 3.83Å; F9-M40 HydrophobicContact CE1-CE 3.95Å; F9-M40 HydrophobicContact CE1-CG 3.46Å; F9-M40 VanDerWaalsContact CE1-CG 3.46Å; F9-M40 HydrophobicContact CE1-SD 3.72Å; F9-M40 HydrophobicContact CZ-CE 3.78Å; F9-M40 HydrophobicContact CZ-CG 4.11Å; F9-M40 HydrophobicContact CZ-SD 4.19Å; M40-N42 WeakPolarHBondContact CE-OD1 3.45Å; M40-N42 VanDerWaalsContact CG-OD1 3.31Å; M40-N42 WeakPolarHBondContact CG-OD1 3.43Å |
| 41 | I | 85.9 | Confident | 83.7 | Confident | 10 Ų | 10 | 77 Ų | 77 | 5% | 0.051 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 105.6 | 172.6 | -59.2 | 171.1 | 0 | 0 | 0 | 106.4 | T7 V8 V10 F44 H48 Y52 | T7-I41 WeakPolarHBondContact CA-O 3.43Å; V8-I41 HydrophobicContact CB-CB 4.39Å; V8-I41 PolarHBondContact N-O 2.88Å; V8-I41 PolarHBondContact O-N 2.85Å; V10-I41 HydrophobicContact CG2-CD1 4.12Å; I41-F44 HydrophobicContact CG2-CD2 4.13Å; I41-H48 HydrophobicContact CG2-CB 4.06Å; I41-H48 VanDerWaalsContact CG2-CD2 3.41Å; I41-H48 WeakPolarHBondContact CG2-CD2 3.34Å; I41-Y52 HydrophobicContact CD1-CE1 4.45Å; I41-Y52 VanDerWaalsContact CD1-OH 3.29Å; I41-Y52 WeakPolarHBondContact CD1-OH 3.04Å |
| 42 | N | 82.4 | Confident | 83.8 | Confident | 103 Ų | 103 | 72.1 Ų | 72.1 | 55% | 0.551 | 37% | 0.366 | S | S | * | . | S | Bend | trans | -83.9 | 131.4 | 174.7 | -70.6 | -12.7 | 0 | 0 | 0 | 108.9 | M40 | M40-N42 WeakPolarHBondContact CE-OD1 3.45Å; M40-N42 VanDerWaalsContact CG-OD1 3.31Å; M40-N42 WeakPolarHBondContact CG-OD1 3.43Å |
| 43 | R | 84.7 | Confident | 83.8 | Confident | 191 Ų | 191 | 68.6 Ų | 68.6 | 72% | 0.721 | 35% | 0.348 | S | S | * | . | S | Bend | trans | 54.6 | 73.1 | -176.2 | -60.8 | -175.7 | -178.7 | -153.3 | -0 | 112.7 | D45 | R43-D45 PolarHBondContact O-N 2.97Š|
| 44 | F | 86.4 | Confident | 83.8 | Confident | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 34% | 0.339 | C | S | . | . | trans | -54 | 130.7 | 175.6 | -170.8 | -94.5 | 0 | 0 | 0 | 111 | F2 F4 G5 E6 V8 I41 H48 A49 L69 M71 | F2-F44 HydrophobicContact CB-CD1 3.77Å; F2-F44 HydrophobicContact CB-CE1 4.06Å; F2-F44 HydrophobicContact CB-CG 4.15Å; F2-F44 HydrophobicContact CD2-CE1 4.49Å; F2-F44 HydrophobicContact CD2-CE2 4.39Å; F2-F44 HydrophobicContact CD2-CZ 4.31Å; F4-F44 WeakPolarHBondContact CA-O 3.37Å; G5-F44 PolarHBondContact N-O 2.94Å; E6-F44 VanDerWaalsContact O-CB 3.32Å; E6-F44 WeakPolarHBondContact O-CB 3.44Å; E6-F44 PolarHBondContact O-N 2.9Å; V8-F44 HydrophobicContact CB-CD2 4.32Å; V8-F44 HydrophobicContact CG2-CB 3.91Å; V8-F44 HydrophobicContact CG2-CD2 3.88Å; V8-F44 HydrophobicContact CG2-CG 4.02Å; I41-F44 HydrophobicContact CG2-CD2 4.13Å; F44-H48 HydrophobicContact CD2-CB 3.58Å; F44-H48 HydrophobicContact CE2-CB 3.5Å; F44-H48 VanDerWaalsContact CE2-CB 3.5Å; F44-H48 HydrophobicContact CG-CB 4.33Å; F44-H48 HydrophobicContact CZ-CB 4.19Å; F44-A49 HydrophobicContact CZ-CB 4.34Å; F44-L69 HydrophobicContact CE2-CB 4.3Å; F44-L69 HydrophobicContact CZ-CB 4.16Å; F44-M71 HydrophobicContact CE1-CB 4.39Å | ||
| 45 | D | 88.3 | Confident | 83.9 | Confident | 37 Ų | 37 | 69.2 Ų | 69.2 | 20% | 0.198 | 34% | 0.339 | C | S | . | . | trans | -138.4 | -174.4 | -179.8 | 75.3 | 10 | 0 | 0 | 0 | 111.1 | F4 R43 Q47 H48 A49 M71 | F4-D45 HydrophobicContact CD2-CB 4.07Å; F4-D45 HydrophobicContact CE2-CB 3.91Å; R43-D45 PolarHBondContact O-N 2.97Å; D45-Q47 PolarHBondContact O-N 3.02Å; D45-Q47 WeakPolarHBondContact OD1-CA 3.5Å; D45-Q47 VanDerWaalsContact OD1-CB 3.28Å; D45-Q47 WeakPolarHBondContact OD1-CB 3.45Å; D45-Q47 PolarHBondContact OD1-N 2.77Å; D45-H48 VanDerWaalsContact CG-ND1 3.32Å; D45-H48 PolarHBondContact N-ND1 3.33Å; D45-H48 PolarHBondContact O-N 2.83Å; D45-H48 VanDerWaalsContact O-N 3.1Å; D45-H48 IonicContact OD1-CE1 2.69Å; D45-H48 PolarHBondContact OD1-CE1 2.79Å; D45-H48 IonicContact OD1-CG 3.91Å; D45-H48 PolarHBondContact OD1-N 3.24Å; D45-H48 VanDerWaalsContact OD1-N 3.17Å; D45-H48 IonicContact OD1-ND1 3.58Å; D45-H48 PolarHBondContact OD1-ND1 2.87Å; D45-H48 IonicContact OD2-ND1 3.99Å; D45-A49 PolarHBondContact O-N 3.04Å; D45-M71 HydrophobicContact CB-CE 4.25Å | ||
| 46 | Q | 87.4 | Confident | 84.2 | Confident | 131 Ų | 131 | 66.6 Ų | 66.6 | 61% | 0.612 | 32% | 0.32 | S | S | * | . | G | 310 helix | trans | -66.7 | -27.4 | -175.8 | -171 | 64.1 | 12.4 | 0 | 0 | 112.2 | H48 A49 M71 | Q46-H48 PolarHBondContact O-N 3.32Å; Q46-A49 WeakPolarHBondContact O-CB 3.23Å; Q46-A49 PolarHBondContact O-N 2.8Å; Q46-M71 HydrophobicContact CB-CE 4.15Å; Q46-M71 HydrophobicContact CB-SD 4.49Å |
| 47 | Q | 89.2 | Confident | 84.8 | Confident | 148 Ų | 148 | 64.9 Ų | 64.9 | 69% | 0.692 | 31% | 0.31 | S | S | * | . | G | 310 helix | trans | -72.5 | -22.5 | 177.8 | -51.5 | -175.2 | -5.3 | 0 | 0 | 111.7 | R28 D45 | R28-Q47 PolarHBondContact NH1-O 3.03Å; R28-Q47 PolarHBondContact NH2-O 2.8Å; D45-Q47 PolarHBondContact O-N 3.02Å; D45-Q47 WeakPolarHBondContact OD1-CA 3.5Å; D45-Q47 VanDerWaalsContact OD1-CB 3.28Å; D45-Q47 WeakPolarHBondContact OD1-CB 3.45Å; D45-Q47 PolarHBondContact OD1-N 2.77Å |
| 48 | H | 89.6 | Confident | 85 | Confident | 46 Ų | 46 | 61.6 Ų | 61.6 | 21% | 0.213 | 30% | 0.303 | C | S | . | . | G | 310 helix | trans | -84.1 | -14.8 | 175.2 | -59.4 | 102 | 0 | 0 | 0 | 113.6 | I41 F44 D45 Q46 Y52 | I41-H48 HydrophobicContact CG2-CB 4.06Å; I41-H48 VanDerWaalsContact CG2-CD2 3.41Å; I41-H48 WeakPolarHBondContact CG2-CD2 3.34Å; F44-H48 HydrophobicContact CD2-CB 3.58Å; F44-H48 HydrophobicContact CE2-CB 3.5Å; F44-H48 VanDerWaalsContact CE2-CB 3.5Å; F44-H48 HydrophobicContact CG-CB 4.33Å; F44-H48 HydrophobicContact CZ-CB 4.19Å; D45-H48 VanDerWaalsContact CG-ND1 3.32Å; D45-H48 PolarHBondContact N-ND1 3.33Å; D45-H48 PolarHBondContact O-N 2.83Å; D45-H48 VanDerWaalsContact O-N 3.1Å; D45-H48 IonicContact OD1-CE1 2.69Å; D45-H48 PolarHBondContact OD1-CE1 2.79Å; D45-H48 IonicContact OD1-CG 3.91Å; D45-H48 PolarHBondContact OD1-N 3.24Å; D45-H48 VanDerWaalsContact OD1-N 3.17Å; D45-H48 IonicContact OD1-ND1 3.58Å; D45-H48 PolarHBondContact OD1-ND1 2.87Å; D45-H48 IonicContact OD2-ND1 3.99Å; Q46-H48 PolarHBondContact O-N 3.32Å; H48-Y52 WeakPolarHBondContact O-CE2 3.43Å; H48-Y52 PolarHBondContact O-OH 3.21Å |
| 49 | A | 89.4 | Confident | 84.4 | Confident | 18 Ų | 18 | 61.9 Ų | 61.9 | 15% | 0.149 | 32% | 0.317 | C | S | . | . | trans | -68.8 | 146.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | F44 D45 Q46 L69 | F44-A49 HydrophobicContact CZ-CB 4.34Å; D45-A49 PolarHBondContact O-N 3.04Å; Q46-A49 WeakPolarHBondContact O-CB 3.23Å; Q46-A49 PolarHBondContact O-N 2.8Å; A49-L69 CarbonylContact C-O 3.33Å; A49-L69 VanDerWaalsContact CA-O 3.22Å; A49-L69 WeakPolarHBondContact CA-O 3.36Å; A49-L69 WeakPolarHBondContact CB-O 3.44Å | ||
| 50 | G | 90.1 | Very high | 83.4 | Confident | 16 Ų | 16 | 62.4 Ų | 62.4 | 17% | 0.165 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 152.6 | -179.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | N29 Y52 S68 L69 | N29-G50 VanDerWaalsContact OD1-CA 3.29Å; N29-G50 WeakPolarHBondContact OD1-CA 3.49Å; G50-Y52 WeakPolarHBondContact O-CD2 3.02Å; G50-S68 WeakPolarHBondContact O-CA 3.46Å; G50-L69 PolarHBondContact N-O 2.96Å; G50-L69 PolarHBondContact O-N 3.35Å |
| 51 | A | 91.2 | Very high | 82.7 | Confident | 30 Ų | 30 | 66.6 Ų | 66.6 | 25% | 0.248 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 116 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | R28 N29 P66 | R28-A51 WeakPolarHBondContact CA-O 3.24Å; N29-A51 PolarHBondContact N-O 3.14Å; N29-A51 PolarHBondContact OD1-N 2.72Å; A51-P66 HydrophobicContact CB-CB 4.11Å |
| 52 | Y | 89.4 | Confident | 82.1 | Confident | 0 Ų | 0 | 69.1 Ų | 69.1 | 0% | 0 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 134.6 | 177.7 | -74.4 | -104.8 | 0 | 0 | 0 | 111 | V10 L26 Y27 R28 L33 I41 H48 G50 P66 V67 L69 | V10-Y52 HydrophobicContact CG1-CD1 3.88Å; V10-Y52 HydrophobicContact CG1-CE1 4.39Å; V10-Y52 HydrophobicContact CG1-CG 4.39Å; V10-Y52 HydrophobicContact CG2-CE1 4.29Å; L26-Y52 HydrophobicContact CD1-CD1 4.12Å; L26-Y52 HydrophobicContact CD2-CD1 4.1Å; L26-Y52 HydrophobicContact CD2-CE1 4.33Å; L26-Y52 HydrophobicContact CG-CD1 4.18Å; Y27-Y52 CarbonylContact O-C 3.57Å; Y27-Y52 VanDerWaalsContact O-CA 3.22Å; Y27-Y52 WeakPolarHBondContact O-CA 3.42Å; R28-Y52 HydrophobicContact CB-CD1 4.2Å; R28-Y52 HydrophobicContact CB-CE1 3.98Å; R28-Y52 HydrophobicContact CB-CE2 4.39Å; R28-Y52 WeakPolarHBondContact CD-OH 3.45Å; R28-Y52 HydrophobicContact CG-CD2 4.32Å; R28-Y52 HydrophobicContact CG-CE1 4.26Å; R28-Y52 HydrophobicContact CG-CE2 3.84Å; L33-Y52 HydrophobicContact CD1-CD1 4.24Å; L33-Y52 HydrophobicContact CD1-CE1 3.64Å; I41-Y52 HydrophobicContact CD1-CE1 4.45Å; I41-Y52 VanDerWaalsContact CD1-OH 3.29Å; I41-Y52 WeakPolarHBondContact CD1-OH 3.04Å; H48-Y52 WeakPolarHBondContact O-CE2 3.43Å; H48-Y52 PolarHBondContact O-OH 3.21Å; G50-Y52 WeakPolarHBondContact O-CD2 3.02Å; Y52-P66 WeakPolarHBondContact O-CA 3.33Å; Y52-V67 PolarHBondContact N-O 2.94Å; Y52-V67 PolarHBondContact O-N 2.85Å; Y52-L69 HydrophobicContact CD2-CB 4.15Å; Y52-L69 HydrophobicContact CD2-CD1 3.75Å; Y52-L69 HydrophobicContact CD2-CG 3.6Å; Y52-L69 HydrophobicContact CE2-CB 3.94Å; Y52-L69 HydrophobicContact CE2-CD1 3.57Å; Y52-L69 HydrophobicContact CE2-CG 3.74Å; Y52-L69 HydrophobicContact CG-CD1 4.35Å; Y52-L69 HydrophobicContact CG-CG 4.43Å |
| 53 | T | 88.1 | Confident | 81.9 | Confident | 13 Ų | 13 | 69.5 Ų | 69.5 | 8% | 0.08 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 152.8 | 177.9 | 51.1 | 0 | 0 | 0 | 0 | 110.7 | Y27 S64 P66 | Y27-T53 PolarHBondContact N-O 2.82Å; Y27-T53 PolarHBondContact O-N 3.42Å; T53-S64 WeakPolarHBondContact CA-OG 3.35Å; T53-P66 HydrophobicContact CG2-CB 3.89Å |
| 54 | C | 87.3 | Confident | 81.8 | Confident | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 137.3 | 175.8 | -66.2 | 0 | 0 | 0 | 0 | 110.2 | C12 A25 Q63 S64 I455 V457 | C12-C54 WeakPolarHBondContact CA-SG 3.45Å; C12-C54 HydrophobicContact CB-CB 3.79Å; C12-C54 WeakPolarHBondContact CB-SG 3.33Å; C12-C54 WeakPolarHBondContact SG-CB 3.15Å; C12-C54 CovalentContact SG-SG 2.02Å; C12-C54 PolarHBondContact SG-SG 2.76Å; A25-C54 WeakPolarHBondContact O-CA 3.4Å; C54-Q63 WeakPolarHBondContact O-CA 3.38Å; C54-S64 PolarHBondContact N-OG 2.88Å; C54-S64 PolarHBondContact O-N 2.86Å; C54-I455 HydrophobicContact CB-CG2 3.61Å; C54-V457 HydrophobicContact CB-CG2 4.3Å; C54-V457 WeakPolarHBondContact SG-CG2 3.46Å |
| 55 | R | 84.9 | Confident | 81.7 | Confident | 82 Ų | 82 | 63.3 Ų | 63.3 | 31% | 0.309 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 140.7 | 177.3 | -57 | -176.4 | 176.4 | 164.9 | -6.1 | 111.4 | L24 A25 Y27 Q63 | L24-R55 WeakPolarHBondContact CA-O 3.33Å; A25-R55 PolarHBondContact N-O 2.84Å; A25-R55 PolarHBondContact O-N 3.33Å; Y27-R55 HydrophobicContact CD2-CB 4.15Å; Y27-R55 HydrophobicContact CD2-CG 3.8Å; Y27-R55 HydrophobicContact CE2-CB 3.73Å; Y27-R55 HydrophobicContact CE2-CG 3.76Å; R55-Q63 HydrophobicContact CG-CB 3.98Å |
| 56 | P | 80.4 | Confident | 81.5 | Confident | 9 Ų | 9 | 65.6 Ų | 65.6 | 6% | 0.058 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 148.4 | 173.2 | -19.7 | 32.5 | 0 | 0 | 0 | 113.8 | L24 P58 V62 I455 | L24-P56 HydrophobicContact CD2-CG 4.45Å; P56-P58 CarbonylContact O-C 3.52Å; P56-V62 VanDerWaalsContact CD-O 3.26Å; P56-V62 WeakPolarHBondContact CD-O 3.4Å; P56-I455 HydrophobicContact CG-CD1 3.57Å |
| 57 | I | 78.1 | Confident | 81.5 | Confident | 71 Ų | 71 | 60.1 Ų | 60.1 | 36% | 0.364 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 127.5 | 169.5 | -50.7 | 172.4 | 0 | 0 | 0 | 107.5 | S23 A25 | S23-I57 WeakPolarHBondContact O-CB 3.44Å; S23-I57 WeakPolarHBondContact O-CG1 3.39Å; S23-I57 PolarHBondContact O-N 2.73Å; A25-I57 HydrophobicContact CB-CD1 3.85Å; A25-I57 HydrophobicContact CB-CG1 3.93Å |
| 58 | P | 68.6 | Low | 81.5 | Confident | 101 Ų | 101 | 57 Ų | 57 | 66% | 0.656 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -68.3 | 155.9 | -2.3 | 27.1 | -32.8 | 0 | 0 | 0 | 113.2 | P56 Q60 | P56-P58 CarbonylContact O-C 3.52Å; P58-Q60 PolarHBondContact O-N 2.83Å |
| 59 | P | 61.5 | Low | 81.4 | Confident | 123 Ų | 123 | 55 Ų | 55 | 80% | 0.799 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | 124.5 | -165 | 23.7 | -33.4 | 0 | 0 | 0 | 112.3 | ||
| 60 | Q | 64.5 | Low | 81.4 | Confident | 89 Ų | 89 | 57 Ų | 57 | 42% | 0.416 | 33% | 0.332 | S | S | . | . | trans | -113.9 | 157 | 167.1 | -61 | -172.9 | 31.1 | 0 | 0 | 108.7 | P58 V62 | P58-Q60 PolarHBondContact O-N 2.83Å; Q60-V62 HydrophobicContact CB-CG2 4.43Å; Q60-V62 PolarHBondContact O-N 2.8Å | ||
| 61 | N | 68.4 | Low | 81.4 | Confident | 181 Ų | 181 | 59 Ų | 59 | 97% | 0.968 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -71.9 | 38.9 | 174.6 | -75.5 | -11.5 | 0 | 0 | 0 | 112.8 | ||
| 62 | V | 74.3 | Confident | 81.3 | Confident | 63 Ų | 63 | 57.7 Ų | 57.7 | 38% | 0.382 | 33% | 0.327 | S | S | . | . | trans | -127.4 | 127 | -177.5 | -175.1 | 0 | 0 | 0 | 0 | 108.8 | P56 Q60 I455 | P56-V62 VanDerWaalsContact CD-O 3.26Å; P56-V62 WeakPolarHBondContact CD-O 3.4Å; Q60-V62 HydrophobicContact CB-CG2 4.43Å; Q60-V62 PolarHBondContact O-N 2.8Å; V62-I455 HydrophobicContact CG1-CD1 4.29Å | ||
| 63 | Q | 78.2 | Confident | 81.3 | Confident | 110 Ų | 110 | 59.8 Ų | 59.8 | 51% | 0.514 | 34% | 0.337 | S | S | . | . | trans | -134.6 | 152 | 175.9 | 66.6 | -175.6 | 0.9 | 0 | 0 | 110.5 | C54 R55 | C54-Q63 WeakPolarHBondContact O-CA 3.38Å; R55-Q63 HydrophobicContact CG-CB 3.98Å | ||
| 64 | S | 83.5 | Confident | 81.4 | Confident | 4 Ų | 4 | 61.6 Ų | 61.6 | 3% | 0.028 | 35% | 0.35 | C | S | . | . | P | Polyproline II helix | trans | -65.2 | 158.6 | 171.4 | 71.7 | 0 | 0 | 0 | 0 | 111.3 | T53 C54 I455 V457 | T53-S64 WeakPolarHBondContact CA-OG 3.35Å; C54-S64 PolarHBondContact N-OG 2.88Å; C54-S64 PolarHBondContact O-N 2.86Å; S64-I455 WeakPolarHBondContact CB-O 3.28Å; S64-V457 WeakPolarHBondContact OG-CG2 3.35Å |
| 65 | P | 82.8 | Confident | 81.8 | Confident | 58 Ų | 58 | 61.7 Ų | 61.7 | 38% | 0.377 | 35% | 0.351 | S | S | . | . | P | Polyproline II helix | trans | -52.4 | 142.7 | 162.2 | -24.1 | 34.4 | 0 | 0 | 0 | 110.8 | ||
| 66 | P | 85.2 | Confident | 82.3 | Confident | 85 Ų | 85 | 63.7 Ų | 63.7 | 55% | 0.552 | 36% | 0.358 | S | S | * | . | P | Polyproline II helix | trans | -70.3 | 135.5 | 178.1 | 28.2 | -33.1 | 0 | 0 | 0 | 111.1 | A51 Y52 T53 | A51-P66 HydrophobicContact CB-CB 4.11Å; Y52-P66 WeakPolarHBondContact O-CA 3.33Å; T53-P66 HydrophobicContact CG2-CB 3.89Å |
| 67 | V | 87.3 | Confident | 83.1 | Confident | 15 Ų | 15 | 67.9 Ų | 67.9 | 9% | 0.091 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 113.3 | 170.6 | 177.6 | 0 | 0 | 0 | 0 | 108.6 | Y52 L69 V457 Y459 | Y52-V67 PolarHBondContact N-O 2.94Å; Y52-V67 PolarHBondContact O-N 2.85Å; V67-L69 HydrophobicContact CG1-CD2 3.95Å; V67-L69 PolarHBondContact O-N 2.03Å; V67-V457 HydrophobicContact CB-CB 4.2Å; V67-V457 HydrophobicContact CB-CG1 4.2Å; V67-V457 HydrophobicContact CG2-CB 3.8Å; V67-V457 HydrophobicContact CG2-CG1 4.3Å; V67-V457 HydrophobicContact CG2-CG2 4.46Å; V67-Y459 HydrophobicContact CG1-CD1 3.8Å; V67-Y459 HydrophobicContact CG1-CE1 3.74Å |
| 68 | S | 88.2 | Confident | 84 | Confident | 82 Ų | 82 | 65 Ų | 65 | 57% | 0.573 | 37% | 0.374 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 113.2 | -178 | -64.6 | 0 | 0 | 0 | 0 | 111.4 | G50 | G50-S68 WeakPolarHBondContact O-CA 3.46Å |
| 69 | L | 88.7 | Confident | 85.4 | Confident | 4 Ų | 4 | 62.9 Ų | 62.9 | 2% | 0.021 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 122.5 | 170.3 | -52.2 | -168.9 | 0 | 0 | 0 | 108.6 | F2 V8 V10 F44 A49 G50 Y52 V67 Y459 | F2-L69 HydrophobicContact CD2-CB 4.41Å; F2-L69 HydrophobicContact CE2-CB 4.23Å; F2-L69 HydrophobicContact CE2-CD1 3.98Å; F2-L69 HydrophobicContact CE2-CD2 3.75Å; F2-L69 HydrophobicContact CE2-CG 4.17Å; V8-L69 HydrophobicContact CG1-CD1 4.34Å; V10-L69 HydrophobicContact CG2-CD1 3.64Å; F44-L69 HydrophobicContact CE2-CB 4.3Å; F44-L69 HydrophobicContact CZ-CB 4.16Å; A49-L69 CarbonylContact C-O 3.33Å; A49-L69 VanDerWaalsContact CA-O 3.22Å; A49-L69 WeakPolarHBondContact CA-O 3.36Å; A49-L69 WeakPolarHBondContact CB-O 3.44Å; G50-L69 PolarHBondContact N-O 2.96Å; G50-L69 PolarHBondContact O-N 3.35Å; Y52-L69 HydrophobicContact CD2-CB 4.15Å; Y52-L69 HydrophobicContact CD2-CD1 3.75Å; Y52-L69 HydrophobicContact CD2-CG 3.6Å; Y52-L69 HydrophobicContact CE2-CB 3.94Å; Y52-L69 HydrophobicContact CE2-CD1 3.57Å; Y52-L69 HydrophobicContact CE2-CG 3.74Å; Y52-L69 HydrophobicContact CG-CD1 4.35Å; Y52-L69 HydrophobicContact CG-CG 4.43Å; V67-L69 HydrophobicContact CG1-CD2 3.95Å; V67-L69 PolarHBondContact O-N 2.03Å; L69-Y459 HydrophobicContact CD2-CD1 4.13Å; L69-Y459 HydrophobicContact CD2-CG 4.29Å |
| 70 | T | 89.6 | Confident | 87.1 | Confident | 60 Ų | 60 | 58.6 Ų | 58.6 | 37% | 0.368 | 33% | 0.331 | S | S | . | . | trans | -119.2 | 149 | -179 | 52.4 | 0 | 0 | 0 | 0 | 111 | M1 F2 | M1-T70 CarbonylContact C-O 3.53Å; M1-T70 VanDerWaalsContact CA-O 3.24Å; M1-T70 WeakPolarHBondContact CA-O 3.41Å; M1-T70 WeakPolarHBondContact CE-OG1 3.4Å; F2-T70 PolarHBondContact N-O 3.44Å | ||
| 71 | M | 88.7 | Confident | 88.7 | Confident | 58 Ų | 58 | 57 Ų | 57 | 29% | 0.286 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 128.3 | 169.4 | -179.9 | 173.9 | -78.9 | 0 | 0 | 109.9 | F2 F4 F44 D45 Q46 | F2-M71 WeakPolarHBondContact O-CA 3.49Å; F4-M71 HydrophobicContact CB-CE 4.35Å; F4-M71 HydrophobicContact CD2-CE 4.02Å; F44-M71 HydrophobicContact CE1-CB 4.39Å; D45-M71 HydrophobicContact CB-CE 4.25Å; Q46-M71 HydrophobicContact CB-CE 4.15Å; Q46-M71 HydrophobicContact CB-SD 4.49Å |
| 72 | G | 89.6 | Confident | 90 | Very high | 3 Ų | 3 | 50.6 Ų | 50.6 | 3% | 0.031 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 174.4 | 168.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | M1 F2 A103 L149 | M1-G72 VanDerWaalsContact CG-CA 3.5Å; F2-G72 PolarHBondContact O-N 2.69Å; G72-A103 CarbonylContact C-O 3.6Å; G72-A103 WeakPolarHBondContact CA-O 3.16Å; G72-L149 VanDerWaalsContact C-CD1 3.46Å |
| 73 | H | 88.8 | Confident | 91 | Very high | 45 Ų | 45 | 54.7 Ų | 54.7 | 21% | 0.208 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 150.2 | 174.2 | 56.2 | -68.6 | 0 | 0 | 0 | 109.9 | R76 D101 A103 N147 | H73-R76 VanDerWaalsContact CD2-CZ 3.48Å; H73-R76 PolarHBondContact NE2-NH2 2.85Å; H73-D101 IonicContact NE2-OD1 2.84Å; H73-D101 IonicContact NE2-OD2 3.81Å; H73-A103 VanDerWaalsContact CE1-CB 3.45Å; H73-A103 WeakPolarHBondContact CE1-CB 3.4Å; H73-A103 PolarHBondContact CE1-N 2.98Å; H73-A103 PolarHBondContact N-O 2.86Å; H73-A103 CarbonylContact O-C 3.5Å; H73-A103 PolarHBondContact O-N 2.94Å; H73-N147 PolarHBondContact O-ND2 2.92Å |
| 74 | S | 91.2 | Very high | 91.8 | Very high | 50 Ų | 50 | 52.3 Ų | 52.3 | 35% | 0.35 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.2 | 162.5 | 166.7 | 59.3 | 0 | 0 | 0 | 0 | 109.9 | ||
| 75 | P | 96 | Very high | 91.9 | Very high | 3 Ų | 3 | 56.5 Ų | 56.5 | 2% | 0.019 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -52.9 | 147.7 | 173.6 | -21.8 | 35.8 | 0 | 0 | 0 | 110.5 | S100 D101 A102 V106 A145 N147 G150 D152 | P75-S100 VanDerWaalsContact CB-OG 3.25Å; P75-S100 WeakPolarHBondContact CB-OG 3.35Å; P75-D101 CarbonylContact C-O 3.4Å; P75-D101 WeakPolarHBondContact CA-O 3.36Å; P75-A102 HydrophobicContact CB-CB 4.09Å; P75-A102 HydrophobicContact CG-CB 4.06Å; P75-V106 HydrophobicContact CG-CG2 4.4Å; P75-A145 HydrophobicContact CB-CB 3.96Å; P75-A145 HydrophobicContact CG-CB 4.32Å; P75-N147 WeakPolarHBondContact CD-OD1 3.44Å; P75-N147 HydrophobicContact CG-CB 4.3Å; P75-G150 WeakPolarHBondContact CD-O 3.36Å; P75-D152 HydrophobicContact CB-CB 3.98Å; P75-D152 WeakPolarHBondContact O-CB 3.21Å |
| 76 | R | 95.2 | Very high | 92.1 | Very high | 123 Ų | 123 | 56.9 Ų | 56.9 | 46% | 0.464 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | 160.6 | 177.1 | 65.7 | -179.1 | 178 | -154 | -5.2 | 110.3 | H73 T78 S100 D101 D152 | H73-R76 VanDerWaalsContact CD2-CZ 3.48Å; H73-R76 PolarHBondContact NE2-NH2 2.85Å; R76-T78 PolarHBondContact O-N 2.75Å; R76-S100 PolarHBondContact N-OG 2.92Å; R76-S100 PolarHBondContact O-OG 2.9Å; R76-D101 HydrophobicContact CG-CB 4.08Å; R76-D101 IonicContact CZ-OD2 3.85Å; R76-D101 VanDerWaalsContact CZ-OD2 3.27Å; R76-D101 PolarHBondContact N-O 3.47Å; R76-D101 IonicContact NE-OD2 3.44Å; R76-D101 PolarHBondContact NE-OD2 2.84Å; R76-D101 IonicContact NH2-OD2 2.85Å; R76-D101 PolarHBondContact NH2-OD2 2.81Å; R76-D101 PolarHBondContact O-N 2.9Å; R76-D152 VanDerWaalsContact C-OD2 3.31Å; R76-D152 VanDerWaalsContact CA-OD2 3.28Å; R76-D152 WeakPolarHBondContact CA-OD2 3.13Å |
| 77 | S | 96.6 | Very high | 92.1 | Very high | 97 Ų | 97 | 59.6 Ų | 59.6 | 68% | 0.678 | 36% | 0.362 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 56.5 | 36.8 | -179.1 | -57.9 | 0 | 0 | 0 | 0 | 112.1 | S79 D152 | S77-S79 PolarHBondContact O-N 3.2Å; S77-D152 PolarHBondContact N-OD2 2.86Å |
| 78 | T | 97.6 | Very high | 92.5 | Very high | 12 Ų | 12 | 59.5 Ų | 59.5 | 7% | 0.074 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.8 | 129.9 | 179.1 | -52.4 | 0 | 0 | 0 | 0 | 110.1 | R76 C98 S99 S100 A145 D152 S154 | R76-T78 PolarHBondContact O-N 2.75Å; T78-C98 VanDerWaalsContact CG2-SG 3.58Å; T78-S99 CarbonylContact C-O 3.51Å; T78-S99 VanDerWaalsContact CA-O 3.29Å; T78-S99 WeakPolarHBondContact CA-O 3.48Å; T78-S100 WeakPolarHBondContact OG1-CB 3.33Å; T78-S100 PolarHBondContact OG1-OG 2.72Å; T78-A145 HydrophobicContact CG2-CB 4.11Å; T78-D152 WeakPolarHBondContact CB-OD2 3.31Å; T78-D152 PolarHBondContact N-OD2 3.44Å; T78-D152 WeakPolarHBondContact OG1-CB 3.44Å; T78-D152 VanDerWaalsContact OG1-CG 3.29Å; T78-D152 PolarHBondContact OG1-OD2 2.74Å; T78-S154 WeakPolarHBondContact O-CA 3.42Å |
| 79 | S | 97.8 | Very high | 92.8 | Very high | 55 Ų | 55 | 58.2 Ų | 58.2 | 39% | 0.385 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 156.4 | -171.9 | 50.8 | 0 | 0 | 0 | 0 | 111.3 | S77 C98 S99 | S77-S79 PolarHBondContact O-N 3.2Å; S79-C98 WeakPolarHBondContact O-CA 3.29Å; S79-S99 PolarHBondContact N-O 3.16Å; S79-S99 PolarHBondContact O-N 3.04Å; S79-S99 PolarHBondContact OG-O 3.29Å; S79-S99 PolarHBondContact OG-OG 2.92Å |
| 80 | I | 97.8 | Very high | 93.1 | Very high | 33 Ų | 33 | 61.1 Ų | 61.1 | 17% | 0.169 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 129.6 | 177.9 | -61.4 | 166.1 | 0 | 0 | 0 | 109.4 | L96 T97 W111 S154 L157 | I80-L96 HydrophobicContact CG2-CB 4.18Å; I80-T97 CarbonylContact C-O 3.5Å; I80-T97 WeakPolarHBondContact CA-O 3.36Å; I80-W111 HydrophobicContact CB-CH2 4.49Å; I80-W111 HydrophobicContact CD1-CH2 4.35Å; I80-W111 HydrophobicContact CD1-CZ3 3.73Å; I80-W111 HydrophobicContact CG1-CH2 3.98Å; I80-W111 HydrophobicContact CG1-CZ3 3.87Å; I80-W111 HydrophobicContact CG2-CH2 3.8Å; I80-W111 HydrophobicContact CG2-CZ3 3.95Å; I80-S154 VanDerWaalsContact CD1-OG 3.26Å; I80-S154 WeakPolarHBondContact CD1-OG 3.34Å; I80-L157 HydrophobicContact CB-CD2 4.36Å; I80-L157 HydrophobicContact CD1-CB 4.13Å; I80-L157 HydrophobicContact CG2-CD2 3.55Å |
| 81 | A | 96.8 | Very high | 93.3 | Very high | 55 Ų | 55 | 60.1 Ų | 60.1 | 46% | 0.455 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 144.1 | 167.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | L96 T97 | A81-L96 WeakPolarHBondContact O-CA 3.48Å; A81-T97 PolarHBondContact N-O 3.01Å; A81-T97 PolarHBondContact O-N 2.87Å |
| 82 | V | 96.7 | Very high | 93.6 | Very high | 48 Ų | 48 | 58.5 Ų | 58.5 | 29% | 0.291 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 131.1 | -176.8 | -171.7 | 0 | 0 | 0 | 0 | 110 | V94 L96 L157 | V82-V94 HydrophobicContact CG1-CG2 3.54Å; V82-L96 HydrophobicContact CB-CD2 4.29Å; V82-L96 HydrophobicContact CG1-CD2 3.93Å; V82-L96 HydrophobicContact CG2-CD2 3.87Å; V82-L157 HydrophobicContact CG2-CD1 3.91Å; V82-L157 HydrophobicContact CG2-CD2 3.3Å; V82-L157 HydrophobicContact CG2-CG 4.21Å |
| 83 | F | 95.3 | Very high | 93.9 | Very high | 148 Ų | 148 | 61.9 Ų | 61.9 | 65% | 0.649 | 39% | 0.389 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 130.2 | 174.1 | -175.8 | -95.9 | 0 | 0 | 0 | 111.6 | T95 | F83-T95 PolarHBondContact N-O 2.88Å; F83-T95 PolarHBondContact O-N 3Å |
| 84 | P | 93.8 | Very high | 94.2 | Very high | 60 Ų | 60 | 59.8 Ų | 59.8 | 39% | 0.39 | 38% | 0.379 | S | S | . | . | S | Bend | cis | -68.4 | 154.2 | -5.3 | 30.5 | -35.4 | 0 | 0 | 0 | 112.1 | L88 | P84-L88 HydrophobicContact CG-CD2 4.47Š|
| 85 | A | 87.4 | Confident | 94.5 | Very high | 92 Ų | 92 | 58.9 Ų | 58.9 | 76% | 0.76 | 37% | 0.372 | S | S | * | . | trans | -78.7 | 137.2 | 169.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 86 | G | 85.6 | Confident | 94.5 | Very high | 67 Ų | 67 | 58.8 Ų | 58.8 | 69% | 0.691 | 37% | 0.371 | S | S | * | . | S | Bend | trans | 130.7 | -158.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | L88 | G86-L88 PolarHBondContact O-N 3.16Š|
| 87 | E | 85.9 | Confident | 94.7 | Very high | 141 Ų | 141 | 54.9 Ų | 54.9 | 66% | 0.659 | 36% | 0.361 | S | S | * | . | trans | -73.2 | 124.1 | 178.1 | -63.3 | -163 | 148.5 | 0 | 0 | 111.1 | R238 | E87-R238 IonicContact OE1-CZ 3.55Å; E87-R238 IonicContact OE1-NH2 3.27Å; E87-R238 PolarHBondContact OE1-NH2 3.45Å; E87-R238 IonicContact OE2-CZ 2.79Å; E87-R238 IonicContact OE2-NH1 3Å; E87-R238 PolarHBondContact OE2-NH1 2.85Å; E87-R238 IonicContact OE2-NH2 3.64Å; E87-R238 PolarHBondContact OE2-NH2 3.34Å | ||
| 88 | L | 94.6 | Very high | 94.7 | Very high | 14 Ų | 14 | 50.5 Ų | 50.5 | 7% | 0.073 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 139.4 | 172.8 | -61.8 | 172 | 0 | 0 | 0 | 108.9 | P84 G86 V94 L133 L159 S162 | P84-L88 HydrophobicContact CG-CD2 4.47Å; G86-L88 PolarHBondContact O-N 3.16Å; L88-V94 HydrophobicContact CD1-CB 4.02Å; L88-V94 HydrophobicContact CD1-CG1 4.28Å; L88-V94 HydrophobicContact CD1-CG2 3.83Å; L88-V94 HydrophobicContact CD2-CB 3.97Å; L88-V94 HydrophobicContact CD2-CG2 4.09Å; L88-L133 HydrophobicContact CB-CD1 4.23Å; L88-L159 HydrophobicContact CD1-CD1 3.38Å; L88-L159 HydrophobicContact CD1-CG 4.26Å; L88-S162 WeakPolarHBondContact O-CB 3.15Å; L88-S162 PolarHBondContact O-N 3.03Å; L88-S162 PolarHBondContact O-OG 3.19Å |
| 89 | S | 94.8 | Very high | 94.7 | Very high | 55 Ų | 55 | 52.7 Ų | 52.7 | 39% | 0.385 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 154.9 | 178.4 | 52.1 | 0 | 0 | 0 | 0 | 111.7 | G92 S162 | S89-G92 PolarHBondContact O-N 2.85Å; S89-S162 CarbonylContact C-O 3.34Å; S89-S162 VanDerWaalsContact CA-O 3.28Å; S89-S162 WeakPolarHBondContact CA-O 3.3Å; S89-S162 WeakPolarHBondContact CA-OG 3.28Å |
| 90 | E | 95.3 | Very high | 94.7 | Very high | 65 Ų | 65 | 51.3 Ų | 51.3 | 30% | 0.304 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.9 | 136.3 | 173.2 | -175.6 | 171.2 | -120.1 | 0 | 0 | 110.8 | G92 L133 Y135 S162 K166 | E90-G92 VanDerWaalsContact C-N 3.27Å; E90-G92 PolarHBondContact O-N 3.01Å; E90-L133 CarbonylContact C-O 3.46Å; E90-L133 WeakPolarHBondContact CA-O 3.47Å; E90-L133 WeakPolarHBondContact CG-O 3.3Å; E90-Y135 PolarHBondContact OE1-N 2.77Å; E90-S162 PolarHBondContact N-O 2.8Å; E90-K166 IonicContact OE1-NZ 3.23Å; E90-K166 WeakPolarHBondContact OE2-CE 3.28Å; E90-K166 IonicContact OE2-NZ 3.34Å; E90-K166 PolarHBondContact OE2-NZ 2.79Å |
| 91 | G | 94.4 | Very high | 94.6 | Very high | 38 Ų | 38 | 53.4 Ų | 53.4 | 39% | 0.392 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.8 | -14.3 | -172.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | L133 | G91-L133 PolarHBondContact N-O 3.48Š|
| 92 | G | 94.3 | Very high | 94.5 | Very high | 25 Ų | 25 | 51.7 Ų | 51.7 | 26% | 0.258 | 33% | 0.334 | S | S | . | . | trans | -73.6 | -172.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | S89 E90 Y132 L133 | S89-G92 PolarHBondContact O-N 2.85Å; E90-G92 VanDerWaalsContact C-N 3.27Å; E90-G92 PolarHBondContact O-N 3.01Å; G92-Y132 WeakPolarHBondContact O-CA 3.36Å; G92-Y132 PolarHBondContact O-N 2.86Å; G92-L133 WeakPolarHBondContact O-CG 3.3Å; G92-L133 PolarHBondContact O-N 2.79Å | ||
| 93 | S | 95.6 | Very high | 94.3 | Very high | 73 Ų | 73 | 50.6 Ų | 50.6 | 51% | 0.51 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 147.5 | 176.8 | 59.7 | 0 | 0 | 0 | 0 | 111.3 | L130 | S93-L130 CarbonylContact C-O 3.49Å; S93-L130 VanDerWaalsContact CA-O 3.24Å; S93-L130 WeakPolarHBondContact CA-O 3.4Å |
| 94 | V | 96.4 | Very high | 94.1 | Very high | 2 Ų | 2 | 44.8 Ų | 44.8 | 1% | 0.012 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 146.7 | 178.4 | 65 | 0 | 0 | 0 | 0 | 110.3 | V82 L88 L96 L130 L133 L159 | V82-V94 HydrophobicContact CG1-CG2 3.54Å; L88-V94 HydrophobicContact CD1-CB 4.02Å; L88-V94 HydrophobicContact CD1-CG1 4.28Å; L88-V94 HydrophobicContact CD1-CG2 3.83Å; L88-V94 HydrophobicContact CD2-CB 3.97Å; L88-V94 HydrophobicContact CD2-CG2 4.09Å; V94-L96 HydrophobicContact CG2-CD2 4.13Å; V94-L130 HydrophobicContact CG1-CB 3.89Å; V94-L130 HydrophobicContact CG1-CD1 4.16Å; V94-L130 HydrophobicContact CG1-CG 4.47Å; V94-L130 PolarHBondContact N-O 2.8Å; V94-L130 PolarHBondContact O-N 3Å; V94-L133 HydrophobicContact CB-CD1 4.43Å; V94-L133 HydrophobicContact CG1-CD1 4.05Å; V94-L133 HydrophobicContact CG1-CD2 4.03Å; V94-L133 HydrophobicContact CG1-CG 4.48Å; V94-L159 HydrophobicContact CG1-CD1 4.1Å; V94-L159 HydrophobicContact CG1-CD2 4.35Å; V94-L159 HydrophobicContact CG2-CD1 4.42Å |
| 95 | T | 96.7 | Very high | 94.2 | Very high | 31 Ų | 31 | 46.9 Ų | 46.9 | 19% | 0.19 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 122.1 | 171.2 | -59.8 | 0 | 0 | 0 | 0 | 109.1 | F83 Q127 L128 H129 | F83-T95 PolarHBondContact N-O 2.88Å; F83-T95 PolarHBondContact O-N 3Å; T95-Q127 HydrophobicContact CG2-CB 4.23Å; T95-Q127 HydrophobicContact CG2-CG 4.36Å; T95-L128 WeakPolarHBondContact CA-O 3.36Å; T95-H129 VanDerWaalsContact CG2-CE1 3.45Å; T95-H129 WeakPolarHBondContact CG2-CE1 3.33Å; T95-H129 WeakPolarHBondContact CG2-ND1 3.35Å; T95-H129 PolarHBondContact OG1-ND1 3.13Å |
| 96 | L | 96.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 128.8 | 169.6 | -51.5 | -176.1 | 0 | 0 | 0 | 108.1 | I80 A81 V82 V94 W111 Q127 L128 Y141 L157 L159 | I80-L96 HydrophobicContact CG2-CB 4.18Å; A81-L96 WeakPolarHBondContact O-CA 3.48Å; V82-L96 HydrophobicContact CB-CD2 4.29Å; V82-L96 HydrophobicContact CG1-CD2 3.93Å; V82-L96 HydrophobicContact CG2-CD2 3.87Å; V94-L96 HydrophobicContact CG2-CD2 4.13Å; L96-W111 HydrophobicContact CB-CE3 4.36Å; L96-W111 HydrophobicContact CB-CH2 3.29Å; L96-W111 HydrophobicContact CB-CZ2 4Å; L96-W111 HydrophobicContact CB-CZ3 3.5Å; L96-W111 VanDerWaalsContact CB-CZ3 3.5Å; L96-W111 HydrophobicContact CD1-CE3 4.38Å; L96-W111 HydrophobicContact CD1-CZ3 3.91Å; L96-W111 HydrophobicContact CG-CZ3 4.36Å; L96-W111 VanDerWaalsContact O-CZ2 3.26Å; L96-W111 WeakPolarHBondContact O-CZ2 3.22Å; L96-Q127 CarbonylContact O-C 3.51Å; L96-Q127 VanDerWaalsContact O-CA 3.32Å; L96-Q127 WeakPolarHBondContact O-CA 3.4Å; L96-L128 HydrophobicContact CB-CB 4.39Å; L96-L128 HydrophobicContact CD1-CD2 4.35Å; L96-L128 PolarHBondContact N-O 2.91Å; L96-L128 PolarHBondContact O-N 2.9Å; L96-Y141 HydrophobicContact CD1-CD1 4.13Å; L96-Y141 HydrophobicContact CD1-CG 4.03Å; L96-L157 HydrophobicContact CD1-CD2 4.38Å; L96-L157 HydrophobicContact CD2-CD2 3.78Å; L96-L159 HydrophobicContact CD2-CD1 4.23Å |
| 97 | T | 97.8 | Very high | 94.9 | Very high | 42 Ų | 42 | 46.5 Ų | 46.5 | 26% | 0.258 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 122.7 | 179.7 | -55.8 | 0 | 0 | 0 | 0 | 109.6 | I80 A81 P126 Q127 | I80-T97 CarbonylContact C-O 3.5Å; I80-T97 WeakPolarHBondContact CA-O 3.36Å; A81-T97 PolarHBondContact N-O 3.01Å; A81-T97 PolarHBondContact O-N 2.87Å; T97-P126 CarbonylContact C-O 3.5Å; T97-P126 WeakPolarHBondContact CA-O 3.46Å; T97-Q127 HydrophobicContact CG2-CG 4.14Å |
| 98 | C | 97.5 | Very high | 95.3 | Very high | 4 Ų | 4 | 41.5 Ų | 41.5 | 3% | 0.027 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 131.7 | 176.8 | -172.7 | 0 | 0 | 0 | 0 | 110 | T78 S79 F109 W111 P126 C143 | T78-C98 VanDerWaalsContact CG2-SG 3.58Å; S79-C98 WeakPolarHBondContact O-CA 3.29Å; C98-F109 HydrophobicContact CB-CD1 3.79Å; C98-F109 HydrophobicContact CB-CE1 3.98Å; C98-F109 WeakPolarHBondContact SG-CD1 3.48Å; C98-W111 HydrophobicContact CB-CH2 3.96Å; C98-W111 HydrophobicContact CB-CZ2 3.54Å; C98-P126 PolarHBondContact N-O 3.33Å; C98-C143 HydrophobicContact CB-CB 3.64Å; C98-C143 WeakPolarHBondContact CB-SG 3.31Å; C98-C143 WeakPolarHBondContact SG-CB 3.35Å; C98-C143 CovalentContact SG-SG 2.03Å; C98-C143 PolarHBondContact SG-SG 2.78Å |
| 99 | S | 97.6 | Very high | 95.4 | Very high | 58 Ų | 58 | 42 Ų | 42 | 41% | 0.406 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 143.9 | 177.1 | 50 | 0 | 0 | 0 | 0 | 110.8 | T78 S79 | T78-S99 CarbonylContact C-O 3.51Å; T78-S99 VanDerWaalsContact CA-O 3.29Å; T78-S99 WeakPolarHBondContact CA-O 3.48Å; S79-S99 PolarHBondContact N-O 3.16Å; S79-S99 PolarHBondContact O-N 3.04Å; S79-S99 PolarHBondContact OG-O 3.29Å; S79-S99 PolarHBondContact OG-OG 2.92Å |
| 100 | S | 97.4 | Very high | 95.4 | Very high | 27 Ų | 27 | 40.1 Ų | 40.1 | 19% | 0.189 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 144 | -179.9 | -165.8 | 0 | 0 | 0 | 0 | 110.6 | P75 R76 T78 | P75-S100 VanDerWaalsContact CB-OG 3.25Å; P75-S100 WeakPolarHBondContact CB-OG 3.35Å; R76-S100 PolarHBondContact N-OG 2.92Å; R76-S100 PolarHBondContact O-OG 2.9Å; T78-S100 WeakPolarHBondContact OG1-CB 3.33Å; T78-S100 PolarHBondContact OG1-OG 2.72Å |
| 101 | D | 97 | Very high | 95.5 | Very high | 77 Ų | 77 | 37 Ų | 37 | 41% | 0.412 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 118.9 | 171.4 | 177.7 | 31.3 | 0 | 0 | 0 | 108.7 | H73 P75 R76 | H73-D101 IonicContact NE2-OD1 2.84Å; H73-D101 IonicContact NE2-OD2 3.81Å; P75-D101 CarbonylContact C-O 3.4Å; P75-D101 WeakPolarHBondContact CA-O 3.36Å; R76-D101 HydrophobicContact CG-CB 4.08Å; R76-D101 IonicContact CZ-OD2 3.85Å; R76-D101 VanDerWaalsContact CZ-OD2 3.27Å; R76-D101 PolarHBondContact N-O 3.47Å; R76-D101 IonicContact NE-OD2 3.44Å; R76-D101 PolarHBondContact NE-OD2 2.84Å; R76-D101 IonicContact NH2-OD2 2.85Å; R76-D101 PolarHBondContact NH2-OD2 2.81Å; R76-D101 PolarHBondContact O-N 2.9Å |
| 102 | A | 94.4 | Very high | 95.5 | Very high | 19 Ų | 19 | 37.1 Ų | 37.1 | 16% | 0.157 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 139.6 | -175.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | P75 P104 V106 | P75-A102 HydrophobicContact CB-CB 4.09Å; P75-A102 HydrophobicContact CG-CB 4.06Å; A102-P104 CarbonylContact C-O 3.55Å; A102-P104 WeakPolarHBondContact CB-O 3.34Å; A102-V106 HydrophobicContact CB-CG2 3.76Å |
| 103 | A | 92.2 | Very high | 95.5 | Very high | 24 Ų | 24 | 37 Ų | 37 | 20% | 0.198 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 111.1 | 167.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | M1 G72 H73 L149 | M1-A103 HydrophobicContact CE-CB 4.29Å; M1-A103 HydrophobicContact SD-CB 3.85Å; M1-A103 VanDerWaalsContact SD-O 3.32Å; G72-A103 CarbonylContact C-O 3.6Å; G72-A103 WeakPolarHBondContact CA-O 3.16Å; H73-A103 VanDerWaalsContact CE1-CB 3.45Å; H73-A103 WeakPolarHBondContact CE1-CB 3.4Å; H73-A103 PolarHBondContact CE1-N 2.98Å; H73-A103 PolarHBondContact N-O 2.86Å; H73-A103 CarbonylContact O-C 3.5Å; H73-A103 PolarHBondContact O-N 2.94Å; A103-L149 WeakPolarHBondContact O-CD1 3.45Å |
| 104 | P | 90.8 | Very high | 94.8 | Very high | 26 Ų | 26 | 36.4 Ų | 36.4 | 17% | 0.169 | 22% | 0.216 | C | C | . | . | S | Bend | cis | -71.1 | 165.1 | 8.2 | 29.1 | -33.7 | 0 | 0 | 0 | 112.3 | M1 A102 N147 S148 | M1-P104 HydrophobicContact SD-CB 4.16Å; M1-P104 VanDerWaalsContact SD-CD 3.57Å; M1-P104 HydrophobicContact SD-CG 4.44Å; A102-P104 CarbonylContact C-O 3.55Å; A102-P104 WeakPolarHBondContact CB-O 3.34Å; P104-N147 HydrophobicContact CG-CB 4.45Å; P104-N147 PolarHBondContact O-ND2 2.03Å; P104-S148 VanDerWaalsContact CG-OG 3.31Å; P104-S148 WeakPolarHBondContact CG-OG 3.37Å |
| 105 | P | 94.8 | Very high | 94 | Very high | 104 Ų | 104 | 44.7 Ų | 44.7 | 68% | 0.675 | 26% | 0.26 | S | S | * | . | P | Polyproline II helix | trans | -51.5 | 151.8 | 178.3 | -26.4 | 34.6 | 0 | 0 | 0 | 112.4 | E107 | P105-E107 PolarHBondContact O-N 2.81Š|
| 106 | V | 95.1 | Very high | 93.4 | Very high | 34 Ų | 34 | 48.3 Ų | 48.3 | 21% | 0.206 | 28% | 0.275 | C | S | . | . | P | Polyproline II helix | trans | -57.6 | 129.1 | 178.4 | -179 | 0 | 0 | 0 | 0 | 110.2 | P75 A102 S108 F109 A145 R146 | P75-V106 HydrophobicContact CG-CG2 4.4Å; A102-V106 HydrophobicContact CB-CG2 3.76Å; V106-S108 WeakPolarHBondContact CG1-O 3.37Å; V106-F109 HydrophobicContact CB-CE2 4.1Å; V106-F109 HydrophobicContact CB-CZ 3.95Å; V106-F109 HydrophobicContact CG1-CD1 4.37Å; V106-F109 HydrophobicContact CG1-CD2 4.02Å; V106-F109 HydrophobicContact CG1-CE1 4Å; V106-F109 HydrophobicContact CG1-CE2 3.58Å; V106-F109 HydrophobicContact CG1-CG 4.4Å; V106-F109 HydrophobicContact CG1-CZ 3.6Å; V106-F109 HydrophobicContact CG2-CZ 4.23Å; V106-A145 HydrophobicContact CG1-CB 4.04Å; V106-A145 HydrophobicContact CG2-CB 4.2Å; V106-R146 WeakPolarHBondContact CG1-O 3.43Å |
| 107 | E | 94.1 | Very high | 92.7 | Very high | 118 Ų | 118 | 54.5 Ų | 54.5 | 55% | 0.551 | 32% | 0.318 | S | S | * | . | trans | -90.7 | -31.5 | -178.6 | -66.2 | 171.2 | -162.4 | 0 | 0 | 111.4 | P105 R146 S148 | P105-E107 PolarHBondContact O-N 2.81Å; E107-R146 PolarHBondContact N-O 3.47Å; E107-S148 VanDerWaalsContact OE1-CB 3.24Å; E107-S148 WeakPolarHBondContact OE1-CB 3.4Å; E107-S148 PolarHBondContact OE1-N 2.84Å; E107-S148 PolarHBondContact OE1-OG 2.86Å | ||
| 108 | S | 94.1 | Very high | 92 | Very high | 36 Ų | 36 | 54.7 Ų | 54.7 | 25% | 0.252 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.5 | 152.3 | 180 | 52.3 | 0 | 0 | 0 | 0 | 111.7 | V106 R146 | V106-S108 WeakPolarHBondContact CG1-O 3.37Å; S108-R146 PolarHBondContact N-O 2.98Å; S108-R146 PolarHBondContact O-N 2.79Å |
| 109 | F | 95.6 | Very high | 91.5 | Very high | 25 Ų | 25 | 56.7 Ų | 56.7 | 11% | 0.11 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 164 | 168.4 | -66.7 | -90 | 0 | 0 | 0 | 109.1 | C98 V106 F124 R125 P126 V144 A145 | C98-F109 HydrophobicContact CB-CD1 3.79Å; C98-F109 HydrophobicContact CB-CE1 3.98Å; C98-F109 WeakPolarHBondContact SG-CD1 3.48Å; V106-F109 HydrophobicContact CB-CE2 4.1Å; V106-F109 HydrophobicContact CB-CZ 3.95Å; V106-F109 HydrophobicContact CG1-CD1 4.37Å; V106-F109 HydrophobicContact CG1-CD2 4.02Å; V106-F109 HydrophobicContact CG1-CE1 4Å; V106-F109 HydrophobicContact CG1-CE2 3.58Å; V106-F109 HydrophobicContact CG1-CG 4.4Å; V106-F109 HydrophobicContact CG1-CZ 3.6Å; V106-F109 HydrophobicContact CG2-CZ 4.23Å; F109-F124 CarbonylContact O-C 3.56Å; F109-F124 WeakPolarHBondContact O-CA 3.33Å; F109-F124 WeakPolarHBondContact O-CD1 3.25Å; F109-R125 WeakPolarHBondContact CB-O 3.39Å; F109-P126 HydrophobicContact CD2-CB 3.83Å; F109-P126 HydrophobicContact CD2-CG 4.41Å; F109-P126 HydrophobicContact CE2-CB 3.64Å; F109-P126 HydrophobicContact CE2-CG 4.3Å; F109-P126 HydrophobicContact CG-CB 4.46Å; F109-P126 HydrophobicContact CZ-CB 4.1Å; F109-V144 CarbonylContact C-O 3.5Å; F109-V144 VanDerWaalsContact CA-O 3.29Å; F109-V144 WeakPolarHBondContact CA-O 2.93Å; F109-A145 HydrophobicContact CD1-CB 3.99Å; F109-A145 HydrophobicContact CE1-CB 3.82Å |
| 110 | A | 95.2 | Very high | 91.1 | Very high | 15 Ų | 15 | 55.3 Ų | 55.3 | 12% | 0.124 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 131.4 | 166.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | F112 F124 C143 V144 | A110-F112 HydrophobicContact CB-CE2 3.62Å; A110-F112 HydrophobicContact CB-CZ 4.04Å; A110-F112 WeakPolarHBondContact O-CD2 3.43Å; A110-F112 WeakPolarHBondContact O-CE2 3.23Å; A110-F124 HydrophobicContact CB-CD1 4.31Å; A110-F124 HydrophobicContact CB-CE1 4.35Å; A110-C143 CarbonylContact O-C 3.56Å; A110-C143 VanDerWaalsContact O-CA 3.29Å; A110-C143 WeakPolarHBondContact O-CA 3.46Å; A110-V144 PolarHBondContact N-O 2.8Å; A110-V144 PolarHBondContact O-N 3.03Å |
| 111 | W | 96.9 | Very high | 90.5 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 147 | 177.1 | -67.9 | 81.8 | 0 | 0 | 0 | 111.3 | I80 L96 C98 S119 I120 S123 R125 L128 C143 | I80-W111 HydrophobicContact CB-CH2 4.49Å; I80-W111 HydrophobicContact CD1-CH2 4.35Å; I80-W111 HydrophobicContact CD1-CZ3 3.73Å; I80-W111 HydrophobicContact CG1-CH2 3.98Å; I80-W111 HydrophobicContact CG1-CZ3 3.87Å; I80-W111 HydrophobicContact CG2-CH2 3.8Å; I80-W111 HydrophobicContact CG2-CZ3 3.95Å; L96-W111 HydrophobicContact CB-CE3 4.36Å; L96-W111 HydrophobicContact CB-CH2 3.29Å; L96-W111 HydrophobicContact CB-CZ2 4Å; L96-W111 HydrophobicContact CB-CZ3 3.5Å; L96-W111 VanDerWaalsContact CB-CZ3 3.5Å; L96-W111 HydrophobicContact CD1-CE3 4.38Å; L96-W111 HydrophobicContact CD1-CZ3 3.91Å; L96-W111 HydrophobicContact CG-CZ3 4.36Å; L96-W111 VanDerWaalsContact O-CZ2 3.26Å; L96-W111 WeakPolarHBondContact O-CZ2 3.22Å; C98-W111 HydrophobicContact CB-CH2 3.96Å; C98-W111 HydrophobicContact CB-CZ2 3.54Å; W111-S119 CarbonylContact O-C 3.54Å; W111-S119 VanDerWaalsContact O-CA 3.32Å; W111-S119 WeakPolarHBondContact O-CA 3.33Å; W111-I120 HydrophobicContact CB-CD1 4.06Å; W111-I120 PolarHBondContact O-N 3.43Å; W111-S123 VanDerWaalsContact CD1-O 3.28Å; W111-S123 PolarHBondContact N-OG 2.99Å; W111-R125 PolarHBondContact NE1-O 2.85Å; W111-R125 VanDerWaalsContact NE1-O 3.15Å; W111-L128 HydrophobicContact CB-CD2 3.95Å; W111-L128 HydrophobicContact CD2-CB 3.69Å; W111-L128 HydrophobicContact CD2-CD2 3.95Å; W111-L128 HydrophobicContact CD2-CG 4.46Å; W111-L128 HydrophobicContact CE3-CB 4.28Å; W111-L128 HydrophobicContact CE3-CD2 4.03Å; W111-L128 HydrophobicContact CG-CB 3.86Å; W111-L128 HydrophobicContact CG-CD2 3.94Å; W111-L128 HydrophobicContact CG-CG 4.4Å; W111-L128 HydrophobicContact CZ2-CB 4.14Å; W111-C143 HydrophobicContact CD2-CB 4.01Å; W111-C143 HydrophobicContact CE3-CB 4.02Å; W111-C143 HydrophobicContact CH2-CB 4.4Å; W111-C143 HydrophobicContact CZ2-CB 4.43Å; W111-C143 HydrophobicContact CZ3-CB 4.22Å |
| 112 | F | 94.8 | Very high | 89.8 | Confident | 39 Ų | 39 | 62.5 Ų | 62.5 | 17% | 0.171 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 149.8 | -179.3 | -62.1 | -95.3 | 0 | 0 | 0 | 108.9 | A110 G118 Y141 Y142 V144 | A110-F112 HydrophobicContact CB-CE2 3.62Å; A110-F112 HydrophobicContact CB-CZ 4.04Å; A110-F112 WeakPolarHBondContact O-CD2 3.43Å; A110-F112 WeakPolarHBondContact O-CE2 3.23Å; F112-G118 WeakPolarHBondContact CD1-O 3.48Å; F112-Y141 VanDerWaalsContact O-CA 3.3Å; F112-Y141 WeakPolarHBondContact O-CA 3.44Å; F112-Y142 HydrophobicContact CB-CD1 3.93Å; F112-Y142 HydrophobicContact CB-CD2 3.92Å; F112-Y142 HydrophobicContact CB-CE1 3.42Å; F112-Y142 VanDerWaalsContact CB-CE1 3.42Å; F112-Y142 HydrophobicContact CB-CE2 3.44Å; F112-Y142 VanDerWaalsContact CB-CE2 3.44Å; F112-Y142 HydrophobicContact CB-CG 4.15Å; F112-Y142 WeakPolarHBondContact CB-OH 3.4Å; F112-Y142 HydrophobicContact CD1-CE2 4.31Å; F112-Y142 AromaticContact CD2-CD2 3.95Å; F112-Y142 HydrophobicContact CD2-CD2 3.95Å; F112-Y142 AromaticContact CD2-CE2 3.45Å; F112-Y142 HydrophobicContact CD2-CE2 3.45Å; F112-Y142 VanDerWaalsContact CD2-CE2 3.45Å; F112-Y142 HydrophobicContact CE2-CE2 4.29Å; F112-Y142 HydrophobicContact CG-CD2 4.21Å; F112-Y142 HydrophobicContact CG-CE1 4.28Å; F112-Y142 AromaticContact CG-CE2 3.47Å; F112-Y142 HydrophobicContact CG-CE2 3.47Å; F112-Y142 VanDerWaalsContact CG-CE2 3.47Å; F112-Y142 AromaticContact CG-CZ 3.52Å; F112-Y142 PolarHBondContact N-O 2.63Å; F112-Y142 PolarHBondContact O-N 2.95Å; F112-V144 HydrophobicContact CD2-CG2 4.11Å; F112-V144 HydrophobicContact CE2-CB 4.12Å; F112-V144 HydrophobicContact CE2-CG2 3.69Å |
| 113 | K | 93.8 | Very high | 89.4 | Confident | 23 Ų | 23 | 61.8 Ų | 61.8 | 10% | 0.1 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 125.3 | 168.7 | -175.7 | 176.2 | 167.7 | -154.4 | 0 | 107.3 | N115 E116 I120 T136 E140 Y141 | K113-N115 PolarHBondContact O-N 2.9Å; K113-E116 WeakPolarHBondContact CD-OE1 3.46Å; K113-E116 WeakPolarHBondContact CE-OE1 3.47Å; K113-E116 IonicContact NZ-OE1 2.79Å; K113-E116 PolarHBondContact NZ-OE1 3.12Å; K113-E116 PolarHBondContact O-N 2.83Å; K113-E116 VanDerWaalsContact O-N 3.17Å; K113-I120 HydrophobicContact CB-CD1 4.38Å; K113-T136 PolarHBondContact NZ-O 3.19Å; K113-E140 CarbonylContact C-O 3.47Å; K113-E140 WeakPolarHBondContact CA-O 3.41Å; K113-Y141 HydrophobicContact CB-CD1 4.23Å; K113-Y141 HydrophobicContact CB-CE1 4.08Å; K113-Y141 HydrophobicContact CD-CE1 4.05Å; K113-Y141 HydrophobicContact CD-CE2 4.17Å; K113-Y141 HydrophobicContact CG-CE1 4.18Å; K113-Y141 HydrophobicContact CG-CE2 4.19Å |
| 114 | D | 82.1 | Confident | 89.4 | Confident | 61 Ų | 61 | 65.7 Ų | 65.7 | 33% | 0.326 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | 141.4 | -179.5 | -77.3 | -46.3 | 0 | 0 | 0 | 110 | E116 E140 Y142 | D114-E116 VanDerWaalsContact C-N 3.29Å; D114-E116 PolarHBondContact O-N 3.37Å; D114-E140 HydrophobicContact CB-CB 4Å; D114-E140 PolarHBondContact N-O 3.24Å; D114-E140 WeakPolarHBondContact OD2-CB 3.23Å; D114-Y142 WeakPolarHBondContact OD1-CE1 3.48Å |
| 115 | N | 78.9 | Confident | 89.5 | Confident | 175 Ų | 175 | 72.9 Ų | 72.9 | 94% | 0.936 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.1 | 4.7 | -176.3 | -148.1 | 36 | 0 | 0 | 0 | 116 | K113 | K113-N115 PolarHBondContact O-N 2.9Š|
| 116 | E | 85.4 | Confident | 89.5 | Confident | 108 Ų | 108 | 70.5 Ų | 70.5 | 51% | 0.505 | 39% | 0.387 | S | S | . | . | S | Bend | trans | -104.7 | 144.3 | 167.1 | -67.5 | -179.1 | -171 | 0 | 0 | 110.8 | K113 D114 G118 | K113-E116 WeakPolarHBondContact CD-OE1 3.46Å; K113-E116 WeakPolarHBondContact CE-OE1 3.47Å; K113-E116 IonicContact NZ-OE1 2.79Å; K113-E116 PolarHBondContact NZ-OE1 3.12Å; K113-E116 PolarHBondContact O-N 2.83Å; K113-E116 VanDerWaalsContact O-N 3.17Å; D114-E116 VanDerWaalsContact C-N 3.29Å; D114-E116 PolarHBondContact O-N 3.37Å; E116-G118 PolarHBondContact O-N 2.83Å |
| 117 | S | 80.3 | Confident | 89.5 | Confident | 130 Ų | 130 | 73.3 Ų | 73.3 | 91% | 0.909 | 40% | 0.398 | S | S | * | . | S | Bend | trans | -82.1 | 106.3 | -178.9 | 57.3 | 0 | 0 | 0 | 0 | 110.8 | ||
| 118 | G | 84.8 | Confident | 89.6 | Confident | 46 Ų | 46 | 68.3 Ų | 68.3 | 47% | 0.474 | 38% | 0.375 | S | S | . | . | S | Bend | trans | 99.6 | -176.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | F112 E116 | F112-G118 WeakPolarHBondContact CD1-O 3.48Å; E116-G118 PolarHBondContact O-N 2.83Å |
| 119 | S | 86.8 | Confident | 89.6 | Confident | 45 Ų | 45 | 71.9 Ų | 71.9 | 32% | 0.315 | 39% | 0.387 | S | S | . | . | P | Polyproline II helix | trans | -75.8 | 148.1 | 177.3 | 55.9 | 0 | 0 | 0 | 0 | 111 | W111 | W111-S119 CarbonylContact O-C 3.54Å; W111-S119 VanDerWaalsContact O-CA 3.32Å; W111-S119 WeakPolarHBondContact O-CA 3.33Å |
| 120 | I | 89.7 | Confident | 89.6 | Confident | 29 Ų | 29 | 71.9 Ų | 71.9 | 15% | 0.149 | 39% | 0.389 | C | S | . | . | P | Polyproline II helix | trans | -58.5 | 128.5 | 170.6 | -60.2 | 173.2 | 0 | 0 | 0 | 108.2 | W111 K113 S123 L128 Y141 | W111-I120 HydrophobicContact CB-CD1 4.06Å; W111-I120 PolarHBondContact O-N 3.43Å; K113-I120 HydrophobicContact CB-CD1 4.38Å; I120-S123 VanDerWaalsContact O-CB 3.29Å; I120-S123 WeakPolarHBondContact O-CB 3.35Å; I120-S123 PolarHBondContact O-N 2.85Å; I120-S123 PolarHBondContact O-OG 3.1Å; I120-L128 HydrophobicContact CD1-CD2 3.68Å; I120-L128 HydrophobicContact CG2-CD1 4.26Å; I120-Y141 HydrophobicContact CD1-CD1 3.92Å; I120-Y141 HydrophobicContact CD1-CE1 3.77Å |
| 121 | P | 84.3 | Confident | 89.5 | Confident | 105 Ų | 105 | 75.6 Ų | 75.6 | 68% | 0.682 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.8 | 143.4 | 179.9 | -27 | 34.9 | 0 | 0 | 0 | 112.4 | S123 | P121-S123 PolarHBondContact O-N 2.92Š|
| 122 | D | 82.1 | Confident | 89.5 | Confident | 151 Ų | 151 | 83.6 Ų | 83.6 | 81% | 0.807 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.1 | 17.3 | 177.3 | -56.6 | -39.6 | 0 | 0 | 0 | 116 | F124 | D122-F124 VanDerWaalsContact C-N 3.33Å; D122-F124 PolarHBondContact O-N 3.01Å |
| 123 | S | 86 | Confident | 89.5 | Confident | 4 Ų | 4 | 81.8 Ų | 81.8 | 3% | 0.028 | 44% | 0.437 | C | S | . | . | trans | -91.7 | 26.2 | -178.4 | 73.7 | 0 | 0 | 0 | 0 | 114.1 | W111 I120 P121 R125 | W111-S123 VanDerWaalsContact CD1-O 3.28Å; W111-S123 PolarHBondContact N-OG 2.99Å; I120-S123 VanDerWaalsContact O-CB 3.29Å; I120-S123 WeakPolarHBondContact O-CB 3.35Å; I120-S123 PolarHBondContact O-N 2.85Å; I120-S123 PolarHBondContact O-OG 3.1Å; P121-S123 PolarHBondContact O-N 2.92Å; S123-R125 PolarHBondContact O-N 2.95Å | ||
| 124 | F | 91.1 | Very high | 89.5 | Confident | 106 Ų | 106 | 86.2 Ų | 86.2 | 47% | 0.465 | 46% | 0.456 | S | S | . | . | trans | -79.6 | 27.6 | -175.4 | -57.9 | -75.6 | 0 | 0 | 0 | 114.9 | F109 A110 D122 | F109-F124 CarbonylContact O-C 3.56Å; F109-F124 WeakPolarHBondContact O-CA 3.33Å; F109-F124 WeakPolarHBondContact O-CD1 3.25Å; A110-F124 HydrophobicContact CB-CD1 4.31Å; A110-F124 HydrophobicContact CB-CE1 4.35Å; D122-F124 VanDerWaalsContact C-N 3.33Å; D122-F124 PolarHBondContact O-N 3.01Å | ||
| 125 | R | 93.1 | Very high | 90 | Very high | 176 Ų | 176 | 88.4 Ų | 88.4 | 66% | 0.664 | 46% | 0.46 | S | S | * | . | S | Bend | trans | -124.4 | 156.9 | -173.3 | -63.5 | -62.2 | -174.3 | -129.3 | 1 | 109.8 | F109 W111 S123 Q127 | F109-R125 WeakPolarHBondContact CB-O 3.39Å; W111-R125 PolarHBondContact NE1-O 2.85Å; W111-R125 VanDerWaalsContact NE1-O 3.15Å; S123-R125 PolarHBondContact O-N 2.95Å; R125-Q127 PolarHBondContact O-N 2.98Å; R125-Q127 VanDerWaalsContact O-N 3.11Å |
| 126 | P | 94.8 | Very high | 90.6 | Very high | 55 Ų | 55 | 83.2 Ų | 83.2 | 36% | 0.357 | 44% | 0.435 | S | S | . | . | S | Bend | trans | -61 | -20.5 | 177.6 | 23.7 | -34 | 0 | 0 | 0 | 113.1 | T97 C98 F109 | T97-P126 CarbonylContact C-O 3.5Å; T97-P126 WeakPolarHBondContact CA-O 3.46Å; C98-P126 PolarHBondContact N-O 3.33Å; F109-P126 HydrophobicContact CD2-CB 3.83Å; F109-P126 HydrophobicContact CD2-CG 4.41Å; F109-P126 HydrophobicContact CE2-CB 3.64Å; F109-P126 HydrophobicContact CE2-CG 4.3Å; F109-P126 HydrophobicContact CG-CB 4.46Å; F109-P126 HydrophobicContact CZ-CB 4.1Å |
| 127 | Q | 96.3 | Very high | 91 | Very high | 92 Ų | 92 | 79.8 Ų | 79.8 | 43% | 0.43 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 132.7 | -179.2 | -66.5 | 178.7 | -5.6 | 0 | 0 | 110.9 | T95 L96 T97 R125 H129 | T95-Q127 HydrophobicContact CG2-CB 4.23Å; T95-Q127 HydrophobicContact CG2-CG 4.36Å; L96-Q127 CarbonylContact O-C 3.51Å; L96-Q127 VanDerWaalsContact O-CA 3.32Å; L96-Q127 WeakPolarHBondContact O-CA 3.4Å; T97-Q127 HydrophobicContact CG2-CG 4.14Å; R125-Q127 PolarHBondContact O-N 2.98Å; R125-Q127 VanDerWaalsContact O-N 3.11Å; Q127-H129 PolarHBondContact OE1-CE1 3.02Å; Q127-H129 PolarHBondContact OE1-NE2 2.88Å |
| 128 | L | 95.8 | Very high | 91.6 | Very high | 14 Ų | 14 | 78.7 Ų | 78.7 | 7% | 0.073 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 114 | 167.9 | 175.6 | 65.1 | 0 | 0 | 0 | 108.6 | T95 L96 W111 I120 L130 Y141 | T95-L128 WeakPolarHBondContact CA-O 3.36Å; L96-L128 HydrophobicContact CB-CB 4.39Å; L96-L128 HydrophobicContact CD1-CD2 4.35Å; L96-L128 PolarHBondContact N-O 2.91Å; L96-L128 PolarHBondContact O-N 2.9Å; W111-L128 HydrophobicContact CB-CD2 3.95Å; W111-L128 HydrophobicContact CD2-CB 3.69Å; W111-L128 HydrophobicContact CD2-CD2 3.95Å; W111-L128 HydrophobicContact CD2-CG 4.46Å; W111-L128 HydrophobicContact CE3-CB 4.28Å; W111-L128 HydrophobicContact CE3-CD2 4.03Å; W111-L128 HydrophobicContact CG-CB 3.86Å; W111-L128 HydrophobicContact CG-CD2 3.94Å; W111-L128 HydrophobicContact CG-CG 4.4Å; W111-L128 HydrophobicContact CZ2-CB 4.14Å; I120-L128 HydrophobicContact CD1-CD2 3.68Å; I120-L128 HydrophobicContact CG2-CD1 4.26Å; L128-L130 HydrophobicContact CD1-CD2 4.27Å; L128-L130 HydrophobicContact CD2-CD2 4.28Å; L128-L130 HydrophobicContact CD2-CG 4.42Å; L128-L130 HydrophobicContact CG-CD2 4.15Å; L128-L130 HydrophobicContact CG-CG 4.23Å; L128-Y141 HydrophobicContact CD2-CD1 4.16Å; L128-Y141 HydrophobicContact CD2-CE1 4.26Å |
| 129 | H | 94.9 | Very high | 92 | Very high | 110 Ų | 110 | 77.3 Ų | 77.3 | 51% | 0.509 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 115.9 | 177 | -58.2 | -66.9 | 0 | 0 | 0 | 110 | T95 Q127 | T95-H129 VanDerWaalsContact CG2-CE1 3.45Å; T95-H129 WeakPolarHBondContact CG2-CE1 3.33Å; T95-H129 WeakPolarHBondContact CG2-ND1 3.35Å; T95-H129 PolarHBondContact OG1-ND1 3.13Å; Q127-H129 PolarHBondContact OE1-CE1 3.02Å; Q127-H129 PolarHBondContact OE1-NE2 2.88Å |
| 130 | L | 94.3 | Very high | 92.4 | Very high | 26 Ų | 26 | 79.1 Ų | 79.1 | 14% | 0.136 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 113.1 | 173.6 | -58.8 | 173.9 | 0 | 0 | 0 | 108 | S93 V94 L128 L133 Y141 L159 | S93-L130 CarbonylContact C-O 3.49Å; S93-L130 VanDerWaalsContact CA-O 3.24Å; S93-L130 WeakPolarHBondContact CA-O 3.4Å; V94-L130 HydrophobicContact CG1-CB 3.89Å; V94-L130 HydrophobicContact CG1-CD1 4.16Å; V94-L130 HydrophobicContact CG1-CG 4.47Å; V94-L130 PolarHBondContact N-O 2.8Å; V94-L130 PolarHBondContact O-N 3Å; L128-L130 HydrophobicContact CD1-CD2 4.27Å; L128-L130 HydrophobicContact CD2-CD2 4.28Å; L128-L130 HydrophobicContact CD2-CG 4.42Å; L128-L130 HydrophobicContact CG-CD2 4.15Å; L128-L130 HydrophobicContact CG-CG 4.23Å; L130-L133 HydrophobicContact CB-CD2 3.76Å; L130-L133 HydrophobicContact CD1-CD2 4.37Å; L130-Y141 HydrophobicContact CD1-CE1 4.1Å; L130-L159 HydrophobicContact CD1-CD2 3.57Å |
| 131 | S | 94.1 | Very high | 92.7 | Very high | 92 Ų | 92 | 78 Ų | 78 | 64% | 0.643 | 38% | 0.38 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 148.2 | -179.5 | -59 | 0 | 0 | 0 | 0 | 110.4 | ||
| 132 | Y | 95.1 | Very high | 93.3 | Very high | 169 Ų | 169 | 75.1 Ų | 75.1 | 66% | 0.663 | 36% | 0.356 | S | S | * | . | S | Bend | trans | 53.8 | 56 | -178.4 | -165.3 | -107.7 | 0 | 0 | 0 | 112 | G92 K134 | G92-Y132 WeakPolarHBondContact O-CA 3.36Å; G92-Y132 PolarHBondContact O-N 2.86Å; Y132-K134 PolarHBondContact O-N 2.96Å |
| 133 | L | 95.4 | Very high | 94 | Very high | 1 Ų | 1 | 68 Ų | 68 | 1% | 0.005 | 32% | 0.317 | C | S | . | . | trans | -51.3 | 133 | -174.6 | -74.4 | 170.8 | 0 | 0 | 0 | 111.7 | L88 E90 G91 G92 V94 L130 D137 L159 V161 | L88-L133 HydrophobicContact CB-CD1 4.23Å; E90-L133 CarbonylContact C-O 3.46Å; E90-L133 WeakPolarHBondContact CA-O 3.47Å; E90-L133 WeakPolarHBondContact CG-O 3.3Å; G91-L133 PolarHBondContact N-O 3.48Å; G92-L133 WeakPolarHBondContact O-CG 3.3Å; G92-L133 PolarHBondContact O-N 2.79Å; V94-L133 HydrophobicContact CB-CD1 4.43Å; V94-L133 HydrophobicContact CG1-CD1 4.05Å; V94-L133 HydrophobicContact CG1-CD2 4.03Å; V94-L133 HydrophobicContact CG1-CG 4.48Å; L130-L133 HydrophobicContact CB-CD2 3.76Å; L130-L133 HydrophobicContact CD1-CD2 4.37Å; L133-D137 WeakPolarHBondContact CA-OD2 3.19Å; L133-D137 HydrophobicContact CD2-CB 4.05Å; L133-L159 HydrophobicContact CD2-CD2 4.4Å; L133-V161 HydrophobicContact CB-CG1 4.29Å; L133-V161 HydrophobicContact CD1-CG2 4.36Å; L133-V161 HydrophobicContact CD2-CG2 4.38Å | ||
| 134 | K | 94.4 | Very high | 94.4 | Very high | 115 Ų | 115 | 69.3 Ų | 69.3 | 50% | 0.5 | 33% | 0.325 | S | S | . | . | trans | -101.8 | 157.8 | 172 | -63.2 | 178.1 | -175.8 | 173.5 | 0 | 109.8 | Y132 T136 D137 | Y132-K134 PolarHBondContact O-N 2.96Å; K134-T136 WeakPolarHBondContact CB-OG1 3.02Å; K134-T136 PolarHBondContact O-N 3.5Å; K134-T136 VanDerWaalsContact O-N 3.07Å; K134-D137 PolarHBondContact N-OD2 3.01Å; K134-D137 WeakPolarHBondContact O-CB 3.05Å; K134-D137 PolarHBondContact O-N 2.93Å | ||
| 135 | Y | 92.5 | Very high | 94.7 | Very high | 107 Ų | 107 | 64.3 Ų | 64.3 | 42% | 0.42 | 30% | 0.303 | S | S | . | . | G | 310 helix | trans | -57.4 | -23.8 | 172.2 | 75.2 | -87 | 0 | 0 | 0 | 113.3 | E90 D137 R138 Y163 K166 | E90-Y135 PolarHBondContact OE1-N 2.77Å; Y135-D137 VanDerWaalsContact C-N 3.31Å; Y135-R138 WeakPolarHBondContact O-CB 3.25Å; Y135-Y163 HydrophobicContact CD2-CE2 4.43Å; Y135-Y163 HydrophobicContact CG-CD2 4.36Å; Y135-Y163 HydrophobicContact CG-CE2 4.41Å; Y135-K166 HydrophobicContact CD1-CG 4.41Å |
| 136 | T | 91.9 | Very high | 94.8 | Very high | 66 Ų | 66 | 62 Ų | 62 | 41% | 0.405 | 29% | 0.294 | S | S | . | . | G | 310 helix | trans | -75.3 | -16.2 | 175.8 | 52 | 0 | 0 | 0 | 0 | 114 | K113 K134 R138 | K113-T136 PolarHBondContact NZ-O 3.19Å; K134-T136 WeakPolarHBondContact CB-OG1 3.02Å; K134-T136 PolarHBondContact O-N 3.5Å; K134-T136 VanDerWaalsContact O-N 3.07Å; T136-R138 PolarHBondContact O-N 2.82Å |
| 137 | D | 93.1 | Very high | 94.8 | Very high | 36 Ų | 36 | 59.4 Ų | 59.4 | 19% | 0.193 | 28% | 0.278 | C | S | . | . | G | 310 helix | trans | -77.5 | -13.4 | 177.5 | -59 | -23.4 | 0 | 0 | 0 | 111.2 | L133 K134 Y135 G139 Y141 | L133-D137 WeakPolarHBondContact CA-OD2 3.19Å; L133-D137 HydrophobicContact CD2-CB 4.05Å; K134-D137 PolarHBondContact N-OD2 3.01Å; K134-D137 WeakPolarHBondContact O-CB 3.05Å; K134-D137 PolarHBondContact O-N 2.93Å; Y135-D137 VanDerWaalsContact C-N 3.31Å; D137-G139 PolarHBondContact O-N 3.32Å; D137-Y141 VanDerWaalsContact O-CE2 3.24Å; D137-Y141 WeakPolarHBondContact O-CE2 3.3Å; D137-Y141 PolarHBondContact O-OH 3.09Å |
| 138 | R | 92.6 | Very high | 94.4 | Very high | 107 Ų | 107 | 57.3 Ų | 57.3 | 40% | 0.404 | 27% | 0.273 | S | S | . | . | trans | -58.6 | 130.2 | 168.9 | 179.9 | 175.1 | 177.9 | -110.4 | -2.7 | 110.1 | Y135 T136 L159 V161 | Y135-R138 WeakPolarHBondContact O-CB 3.25Å; T136-R138 PolarHBondContact O-N 2.82Å; R138-L159 WeakPolarHBondContact CA-O 3.3Å; R138-V161 HydrophobicContact CB-CB 4.31Å; R138-V161 HydrophobicContact CB-CG2 4.48Å | ||
| 139 | G | 93.1 | Very high | 94 | Very high | 17 Ų | 17 | 58.3 Ų | 58.3 | 18% | 0.175 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 165.2 | 178.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | D137 Y141 L159 | D137-G139 PolarHBondContact O-N 3.32Å; G139-Y141 WeakPolarHBondContact O-CD2 3.37Å; G139-L159 PolarHBondContact N-O 3.34Å; G139-L159 PolarHBondContact O-N 2.82Å |
| 140 | E | 95.5 | Very high | 93.7 | Very high | 84 Ų | 84 | 54.3 Ų | 54.3 | 39% | 0.393 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 130.3 | 173.4 | -71.6 | -171.3 | -164.8 | 0 | 0 | 110 | K113 D114 S156 L157 L158 | K113-E140 CarbonylContact C-O 3.47Å; K113-E140 WeakPolarHBondContact CA-O 3.41Å; D114-E140 HydrophobicContact CB-CB 4Å; D114-E140 PolarHBondContact N-O 3.24Å; D114-E140 WeakPolarHBondContact OD2-CB 3.23Å; E140-S156 WeakPolarHBondContact OE2-CB 3.41Å; E140-S156 PolarHBondContact OE2-OG 2.96Å; E140-L157 CarbonylContact C-O 3.34Å; E140-L157 WeakPolarHBondContact CA-O 3.28Å; E140-L158 HydrophobicContact CG-CB 4.43Å; E140-L158 HydrophobicContact CG-CD1 4.22Å |
| 141 | Y | 95.9 | Very high | 93.8 | Very high | 5 Ų | 5 | 57 Ų | 57 | 2% | 0.02 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 142.9 | 178.3 | -70.3 | -105.5 | 0 | 0 | 0 | 109.7 | L96 F112 K113 I120 L128 L130 D137 G139 L157 L159 | L96-Y141 HydrophobicContact CD1-CD1 4.13Å; L96-Y141 HydrophobicContact CD1-CG 4.03Å; F112-Y141 VanDerWaalsContact O-CA 3.3Å; F112-Y141 WeakPolarHBondContact O-CA 3.44Å; K113-Y141 HydrophobicContact CB-CD1 4.23Å; K113-Y141 HydrophobicContact CB-CE1 4.08Å; K113-Y141 HydrophobicContact CD-CE1 4.05Å; K113-Y141 HydrophobicContact CD-CE2 4.17Å; K113-Y141 HydrophobicContact CG-CE1 4.18Å; K113-Y141 HydrophobicContact CG-CE2 4.19Å; I120-Y141 HydrophobicContact CD1-CD1 3.92Å; I120-Y141 HydrophobicContact CD1-CE1 3.77Å; L128-Y141 HydrophobicContact CD2-CD1 4.16Å; L128-Y141 HydrophobicContact CD2-CE1 4.26Å; L130-Y141 HydrophobicContact CD1-CE1 4.1Å; D137-Y141 VanDerWaalsContact O-CE2 3.24Å; D137-Y141 WeakPolarHBondContact O-CE2 3.3Å; D137-Y141 PolarHBondContact O-OH 3.09Å; G139-Y141 WeakPolarHBondContact O-CD2 3.37Å; Y141-L157 PolarHBondContact N-O 2.89Å; Y141-L157 PolarHBondContact O-N 3.03Å; Y141-L159 HydrophobicContact CD2-CB 3.63Å; Y141-L159 HydrophobicContact CD2-CD2 4.31Å; Y141-L159 HydrophobicContact CE2-CB 3.54Å; Y141-L159 HydrophobicContact CE2-CD2 3.63Å; Y141-L159 HydrophobicContact CE2-CG 4.23Å |
| 142 | Y | 96.5 | Very high | 93.9 | Very high | 45 Ų | 45 | 54.9 Ų | 54.9 | 18% | 0.176 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 157.8 | 170 | 65.9 | -88.9 | 0 | 0 | 0 | 110.4 | F112 D114 V144 R153 S154 | F112-Y142 HydrophobicContact CB-CD1 3.93Å; F112-Y142 HydrophobicContact CB-CD2 3.92Å; F112-Y142 HydrophobicContact CB-CE1 3.42Å; F112-Y142 VanDerWaalsContact CB-CE1 3.42Å; F112-Y142 HydrophobicContact CB-CE2 3.44Å; F112-Y142 VanDerWaalsContact CB-CE2 3.44Å; F112-Y142 HydrophobicContact CB-CG 4.15Å; F112-Y142 WeakPolarHBondContact CB-OH 3.4Å; F112-Y142 HydrophobicContact CD1-CE2 4.31Å; F112-Y142 AromaticContact CD2-CD2 3.95Å; F112-Y142 HydrophobicContact CD2-CD2 3.95Å; F112-Y142 AromaticContact CD2-CE2 3.45Å; F112-Y142 HydrophobicContact CD2-CE2 3.45Å; F112-Y142 VanDerWaalsContact CD2-CE2 3.45Å; F112-Y142 HydrophobicContact CE2-CE2 4.29Å; F112-Y142 HydrophobicContact CG-CD2 4.21Å; F112-Y142 HydrophobicContact CG-CE1 4.28Å; F112-Y142 AromaticContact CG-CE2 3.47Å; F112-Y142 HydrophobicContact CG-CE2 3.47Å; F112-Y142 VanDerWaalsContact CG-CE2 3.47Å; F112-Y142 AromaticContact CG-CZ 3.52Å; F112-Y142 PolarHBondContact N-O 2.63Å; F112-Y142 PolarHBondContact O-N 2.95Å; D114-Y142 WeakPolarHBondContact OD1-CE1 3.48Å; Y142-V144 HydrophobicContact CD2-CG2 4.36Å; Y142-V144 HydrophobicContact CE2-CG2 4.23Å; Y142-R153 HydrophobicContact CD2-CG 3.61Å; Y142-R153 HydrophobicContact CE2-CG 4.14Å; Y142-R153 HydrophobicContact CG-CG 4.43Å; Y142-S154 WeakPolarHBondContact CA-OG 3.48Å |
| 143 | C | 96.7 | Very high | 93.9 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 150.4 | 174.4 | 62.7 | 0 | 0 | 0 | 0 | 111 | C98 A110 W111 R153 S154 | C98-C143 HydrophobicContact CB-CB 3.64Å; C98-C143 WeakPolarHBondContact CB-SG 3.31Å; C98-C143 WeakPolarHBondContact SG-CB 3.35Å; C98-C143 CovalentContact SG-SG 2.03Å; C98-C143 PolarHBondContact SG-SG 2.78Å; A110-C143 CarbonylContact O-C 3.56Å; A110-C143 VanDerWaalsContact O-CA 3.29Å; A110-C143 WeakPolarHBondContact O-CA 3.46Å; W111-C143 HydrophobicContact CD2-CB 4.01Å; W111-C143 HydrophobicContact CE3-CB 4.02Å; W111-C143 HydrophobicContact CH2-CB 4.4Å; W111-C143 HydrophobicContact CZ2-CB 4.43Å; W111-C143 HydrophobicContact CZ3-CB 4.22Å; C143-R153 WeakPolarHBondContact O-CA 3.17Å; C143-S154 PolarHBondContact N-OG 3.28Å; C143-S154 PolarHBondContact O-N 3.25Å |
| 144 | V | 96.3 | Very high | 94 | Very high | 33 Ų | 33 | 53.2 Ų | 53.2 | 20% | 0.2 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 122.3 | 171.2 | 179.3 | 0 | 0 | 0 | 0 | 108.4 | F109 A110 F112 Y142 T151 D152 R153 | F109-V144 CarbonylContact C-O 3.5Å; F109-V144 VanDerWaalsContact CA-O 3.29Å; F109-V144 WeakPolarHBondContact CA-O 2.93Å; A110-V144 PolarHBondContact N-O 2.8Å; A110-V144 PolarHBondContact O-N 3.03Å; F112-V144 HydrophobicContact CD2-CG2 4.11Å; F112-V144 HydrophobicContact CE2-CB 4.12Å; F112-V144 HydrophobicContact CE2-CG2 3.69Å; Y142-V144 HydrophobicContact CD2-CG2 4.36Å; Y142-V144 HydrophobicContact CE2-CG2 4.23Å; V144-T151 HydrophobicContact CG1-CG2 4.35Å; V144-D152 CarbonylContact C-O 3.51Å; V144-D152 WeakPolarHBondContact CA-O 3.4Å; V144-R153 HydrophobicContact CG2-CB 4.28Å; V144-R153 HydrophobicContact CG2-CG 3.98Å |
| 145 | A | 96.9 | Very high | 94 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 140.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | P75 T78 V106 F109 T151 D152 | P75-A145 HydrophobicContact CB-CB 3.96Å; P75-A145 HydrophobicContact CG-CB 4.32Å; T78-A145 HydrophobicContact CG2-CB 4.11Å; V106-A145 HydrophobicContact CG1-CB 4.04Å; V106-A145 HydrophobicContact CG2-CB 4.2Å; F109-A145 HydrophobicContact CD1-CB 3.99Å; F109-A145 HydrophobicContact CE1-CB 3.82Å; A145-T151 CarbonylContact O-C 3.54Å; A145-T151 WeakPolarHBondContact O-CA 3.3Å; A145-D152 PolarHBondContact N-O 2.88Å; A145-D152 PolarHBondContact O-N 2.88Å |
| 146 | R | 95.6 | Very high | 94.1 | Very high | 127 Ų | 127 | 48.3 Ų | 48.3 | 48% | 0.479 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 135.6 | -178.1 | -177.2 | 171.4 | -177.9 | -108.6 | 3 | 112.8 | V106 E107 S108 G150 T151 | V106-R146 WeakPolarHBondContact CG1-O 3.43Å; E107-R146 PolarHBondContact N-O 3.47Å; S108-R146 PolarHBondContact N-O 2.98Å; S108-R146 PolarHBondContact O-N 2.79Å; R146-G150 WeakPolarHBondContact CA-O 3.49Å; R146-T151 HydrophobicContact CB-CG2 3.81Å; R146-T151 HydrophobicContact CG-CG2 3.7Å |
| 147 | N | 93.8 | Very high | 94.3 | Very high | 2 Ų | 2 | 47.2 Ų | 47.2 | 1% | 0.011 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 180 | 163.2 | 75.9 | 4.3 | 0 | 0 | 0 | 110.6 | H73 P75 P104 L149 G150 | H73-N147 PolarHBondContact O-ND2 2.92Å; P75-N147 WeakPolarHBondContact CD-OD1 3.44Å; P75-N147 HydrophobicContact CG-CB 4.3Å; P104-N147 HydrophobicContact CG-CB 4.45Å; P104-N147 PolarHBondContact O-ND2 2.03Å; N147-L149 PolarHBondContact O-N 3.49Å; N147-L149 WeakPolarHBondContact OD1-CA 3.15Å; N147-L149 WeakPolarHBondContact OD1-CB 3.39Å; N147-L149 PolarHBondContact OD1-N 2.8Å; N147-G150 PolarHBondContact N-O 3.39Å; N147-G150 PolarHBondContact O-N 3Å; N147-G150 VanDerWaalsContact O-O 3.13Å; N147-G150 PolarHBondContact OD1-N 2.77Å; N147-G150 VanDerWaalsContact OD1-N 3.07Å |
| 148 | S | 88.4 | Confident | 94.3 | Very high | 47 Ų | 47 | 50 Ų | 50 | 33% | 0.329 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -8.2 | 177.3 | 48.1 | 0 | 0 | 0 | 0 | 116.7 | P104 E107 R461 | P104-S148 VanDerWaalsContact CG-OG 3.31Å; P104-S148 WeakPolarHBondContact CG-OG 3.37Å; E107-S148 VanDerWaalsContact OE1-CB 3.24Å; E107-S148 WeakPolarHBondContact OE1-CB 3.4Å; E107-S148 PolarHBondContact OE1-N 2.84Å; E107-S148 PolarHBondContact OE1-OG 2.86Å; S148-R461 PolarHBondContact O-NH1 3.44Å; S148-R461 PolarHBondContact O-NH2 2.78Å |
| 149 | L | 87.1 | Confident | 94.4 | Very high | 36 Ų | 36 | 45 Ų | 45 | 19% | 0.188 | 25% | 0.25 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.1 | -14.6 | 178.7 | -58.9 | -179.5 | 0 | 0 | 0 | 113.6 | G72 A103 N147 | G72-L149 VanDerWaalsContact C-CD1 3.46Å; A103-L149 WeakPolarHBondContact O-CD1 3.45Å; N147-L149 PolarHBondContact O-N 3.49Å; N147-L149 WeakPolarHBondContact OD1-CA 3.15Å; N147-L149 WeakPolarHBondContact OD1-CB 3.39Å; N147-L149 PolarHBondContact OD1-N 2.8Å |
| 150 | G | 89.6 | Confident | 94.4 | Very high | 26 Ų | 26 | 47.5 Ų | 47.5 | 27% | 0.268 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 157.2 | -159.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | P75 R146 N147 | P75-G150 WeakPolarHBondContact CD-O 3.36Å; R146-G150 WeakPolarHBondContact CA-O 3.49Å; N147-G150 PolarHBondContact N-O 3.39Å; N147-G150 PolarHBondContact O-N 3Å; N147-G150 VanDerWaalsContact O-O 3.13Å; N147-G150 PolarHBondContact OD1-N 2.77Å; N147-G150 VanDerWaalsContact OD1-N 3.07Å |
| 151 | T | 94.7 | Very high | 94.4 | Very high | 83 Ų | 83 | 43.5 Ų | 43.5 | 51% | 0.509 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 152.8 | -177.1 | 54.9 | 0 | 0 | 0 | 0 | 111.5 | V144 A145 R146 | V144-T151 HydrophobicContact CG1-CG2 4.35Å; A145-T151 CarbonylContact O-C 3.54Å; A145-T151 WeakPolarHBondContact O-CA 3.3Å; R146-T151 HydrophobicContact CB-CG2 3.81Å; R146-T151 HydrophobicContact CG-CG2 3.7Å |
| 152 | D | 96.4 | Very high | 94.4 | Very high | 47 Ų | 47 | 43.7 Ų | 43.7 | 25% | 0.251 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 151 | 167.9 | -179.2 | 44 | 0 | 0 | 0 | 110.8 | P75 R76 S77 T78 V144 A145 | P75-D152 HydrophobicContact CB-CB 3.98Å; P75-D152 WeakPolarHBondContact O-CB 3.21Å; R76-D152 VanDerWaalsContact C-OD2 3.31Å; R76-D152 VanDerWaalsContact CA-OD2 3.28Å; R76-D152 WeakPolarHBondContact CA-OD2 3.13Å; S77-D152 PolarHBondContact N-OD2 2.86Å; T78-D152 WeakPolarHBondContact CB-OD2 3.31Å; T78-D152 PolarHBondContact N-OD2 3.44Å; T78-D152 WeakPolarHBondContact OG1-CB 3.44Å; T78-D152 VanDerWaalsContact OG1-CG 3.29Å; T78-D152 PolarHBondContact OG1-OD2 2.74Å; V144-D152 CarbonylContact C-O 3.51Å; V144-D152 WeakPolarHBondContact CA-O 3.4Å; A145-D152 PolarHBondContact N-O 2.88Å; A145-D152 PolarHBondContact O-N 2.88Å |
| 153 | R | 95.4 | Very high | 94.4 | Very high | 134 Ų | 134 | 42.3 Ų | 42.3 | 51% | 0.506 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 134 | -174.7 | -170.8 | -175.9 | 72 | 90.6 | 0.6 | 109.5 | Y142 C143 V144 | Y142-R153 HydrophobicContact CD2-CG 3.61Å; Y142-R153 HydrophobicContact CE2-CG 4.14Å; Y142-R153 HydrophobicContact CG-CG 4.43Å; C143-R153 WeakPolarHBondContact O-CA 3.17Å; V144-R153 HydrophobicContact CG2-CB 4.28Å; V144-R153 HydrophobicContact CG2-CG 3.98Å |
| 154 | S | 97.4 | Very high | 94.5 | Very high | 1 Ų | 1 | 43.6 Ų | 43.6 | 1% | 0.007 | 25% | 0.247 | C | C | . | . | P | Polyproline II helix | trans | -65.8 | 162.9 | 172.6 | 72.8 | 0 | 0 | 0 | 0 | 112.4 | T78 I80 Y142 C143 | T78-S154 WeakPolarHBondContact O-CA 3.42Å; I80-S154 VanDerWaalsContact CD1-OG 3.26Å; I80-S154 WeakPolarHBondContact CD1-OG 3.34Å; Y142-S154 WeakPolarHBondContact CA-OG 3.48Å; C143-S154 PolarHBondContact N-OG 3.28Å; C143-S154 PolarHBondContact O-N 3.25Å |
| 155 | G | 94.9 | Very high | 94.6 | Very high | 55 Ų | 55 | 42.1 Ų | 42.1 | 57% | 0.567 | 24% | 0.237 | S | C | * | . | P | Polyproline II helix | trans | -59.7 | 161.7 | 158.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 156 | S | 94.8 | Very high | 94.5 | Very high | 63 Ų | 63 | 44.8 Ų | 44.8 | 44% | 0.441 | 25% | 0.249 | S | C | . | . | P | Polyproline II helix | trans | -76.1 | 137 | 173.7 | 59.5 | 0 | 0 | 0 | 0 | 111 | E140 | E140-S156 WeakPolarHBondContact OE2-CB 3.41Å; E140-S156 PolarHBondContact OE2-OG 2.96Å |
| 157 | L | 94.9 | Very high | 94.5 | Very high | 43 Ų | 43 | 43.6 Ų | 43.6 | 23% | 0.225 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 116.8 | 174.4 | 172.4 | 76.2 | 0 | 0 | 0 | 108.6 | I80 V82 L96 E140 Y141 L159 | I80-L157 HydrophobicContact CB-CD2 4.36Å; I80-L157 HydrophobicContact CD1-CB 4.13Å; I80-L157 HydrophobicContact CG2-CD2 3.55Å; V82-L157 HydrophobicContact CG2-CD1 3.91Å; V82-L157 HydrophobicContact CG2-CD2 3.3Å; V82-L157 HydrophobicContact CG2-CG 4.21Å; L96-L157 HydrophobicContact CD1-CD2 4.38Å; L96-L157 HydrophobicContact CD2-CD2 3.78Å; E140-L157 CarbonylContact C-O 3.34Å; E140-L157 WeakPolarHBondContact CA-O 3.28Å; Y141-L157 PolarHBondContact N-O 2.89Å; Y141-L157 PolarHBondContact O-N 3.03Å; L157-L159 PolarHBondContact O-N 2.87Å; L157-L159 VanDerWaalsContact O-N 3.17Å |
| 158 | L | 94.1 | Very high | 94.7 | Very high | 94 Ų | 94 | 43.9 Ų | 43.9 | 49% | 0.492 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 106.1 | 171.4 | 179.2 | 63.4 | 0 | 0 | 0 | 110.6 | E140 N160 | E140-L158 HydrophobicContact CG-CB 4.43Å; E140-L158 HydrophobicContact CG-CD1 4.22Å; L158-N160 PolarHBondContact O-N 3.23Å; L158-N160 VanDerWaalsContact O-N 3.16Å |
| 159 | L | 94.4 | Very high | 95.1 | Very high | 4 Ų | 4 | 43.5 Ų | 43.5 | 2% | 0.021 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 100.5 | 168.8 | -169.3 | 68.9 | 0 | 0 | 0 | 109.2 | L88 V94 L96 L130 L133 R138 G139 Y141 L157 V161 | L88-L159 HydrophobicContact CD1-CD1 3.38Å; L88-L159 HydrophobicContact CD1-CG 4.26Å; V94-L159 HydrophobicContact CG1-CD1 4.1Å; V94-L159 HydrophobicContact CG1-CD2 4.35Å; V94-L159 HydrophobicContact CG2-CD1 4.42Å; L96-L159 HydrophobicContact CD2-CD1 4.23Å; L130-L159 HydrophobicContact CD1-CD2 3.57Å; L133-L159 HydrophobicContact CD2-CD2 4.4Å; R138-L159 WeakPolarHBondContact CA-O 3.3Å; G139-L159 PolarHBondContact N-O 3.34Å; G139-L159 PolarHBondContact O-N 2.82Å; Y141-L159 HydrophobicContact CD2-CB 3.63Å; Y141-L159 HydrophobicContact CD2-CD2 4.31Å; Y141-L159 HydrophobicContact CE2-CB 3.54Å; Y141-L159 HydrophobicContact CE2-CD2 3.63Å; Y141-L159 HydrophobicContact CE2-CG 4.23Å; L157-L159 PolarHBondContact O-N 2.87Å; L157-L159 VanDerWaalsContact O-N 3.17Å; L159-V161 HydrophobicContact CD2-CG2 4.36Å; L159-V161 HydrophobicContact CG-CG2 4.25Å; L159-V161 PolarHBondContact O-N 2.8Å |
| 160 | N | 93.6 | Very high | 95.6 | Very high | 69 Ų | 69 | 42.7 Ų | 42.7 | 37% | 0.369 | 24% | 0.244 | S | C | . | . | trans | -93.7 | 88.2 | -175.9 | -164.6 | 23.7 | 0 | 0 | 0 | 111.8 | L158 | L158-N160 PolarHBondContact O-N 3.23Å; L158-N160 VanDerWaalsContact O-N 3.16Å | ||
| 161 | V | 95.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 124.5 | 174.5 | -173.1 | 0 | 0 | 0 | 0 | 109.7 | L133 R138 L159 Y163 | L133-V161 HydrophobicContact CB-CG1 4.29Å; L133-V161 HydrophobicContact CD1-CG2 4.36Å; L133-V161 HydrophobicContact CD2-CG2 4.38Å; R138-V161 HydrophobicContact CB-CB 4.31Å; R138-V161 HydrophobicContact CB-CG2 4.48Å; L159-V161 HydrophobicContact CD2-CG2 4.36Å; L159-V161 HydrophobicContact CG-CG2 4.25Å; L159-V161 PolarHBondContact O-N 2.8Å; V161-Y163 WeakPolarHBondContact O-CD1 3.34Å |
| 162 | S | 96.3 | Very high | 95.9 | Very high | 9 Ų | 9 | 45.9 Ų | 45.9 | 6% | 0.063 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 138.7 | 173.7 | 67.6 | 0 | 0 | 0 | 0 | 111.1 | L88 S89 E90 Q193 | L88-S162 WeakPolarHBondContact O-CB 3.15Å; L88-S162 PolarHBondContact O-N 3.03Å; L88-S162 PolarHBondContact O-OG 3.19Å; S89-S162 CarbonylContact C-O 3.34Å; S89-S162 VanDerWaalsContact CA-O 3.28Å; S89-S162 WeakPolarHBondContact CA-O 3.3Å; S89-S162 WeakPolarHBondContact CA-OG 3.28Å; E90-S162 PolarHBondContact N-O 2.8Å; S162-Q193 CarbonylContact C-O 3.55Å; S162-Q193 WeakPolarHBondContact CA-O 3.15Å; S162-Q193 VanDerWaalsContact CB-O 3.28Å; S162-Q193 WeakPolarHBondContact CB-O 3.3Å |
| 163 | Y | 96.9 | Very high | 95.8 | Very high | 16 Ų | 16 | 47 Ų | 47 | 6% | 0.063 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 152.7 | -175.1 | 58.3 | -82.5 | 0 | 0 | 0 | 111.3 | Y135 V161 K166 H191 Q193 N237 L239 | Y135-Y163 HydrophobicContact CD2-CE2 4.43Å; Y135-Y163 HydrophobicContact CG-CD2 4.36Å; Y135-Y163 HydrophobicContact CG-CE2 4.41Å; V161-Y163 WeakPolarHBondContact O-CD1 3.34Å; Y163-K166 HydrophobicContact CD2-CG 3.86Å; Y163-K166 HydrophobicContact CE2-CG 4.22Å; Y163-H191 HydrophobicContact CE2-CB 4.5Å; Y163-H191 WeakPolarHBondContact CE2-O 3.47Å; Y163-Q193 HydrophobicContact CD1-CB 3.83Å; Y163-Q193 HydrophobicContact CE1-CB 3.52Å; Y163-Q193 PolarHBondContact N-O 2.87Å; Y163-Q193 PolarHBondContact O-N 3.29Å; Y163-Q193 VanDerWaalsContact O-O 3.05Å; Y163-N237 PolarHBondContact O-ND2 3.48Å; Y163-L239 VanDerWaalsContact N-CD1 3.31Å |
| 164 | S | 97.3 | Very high | 95.6 | Very high | 27 Ų | 27 | 42.7 Ų | 42.7 | 19% | 0.189 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 163.5 | 174 | 71.1 | 0 | 0 | 0 | 0 | 110.8 | K166 | S164-K166 PolarHBondContact O-N 2.95Å |
| 165 | P | 97.9 | Very high | 95 | Very high | 1 Ų | 1 | 50.7 Ų | 50.7 | 1% | 0.006 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -51.2 | 131.4 | 176.2 | -28.3 | 38.5 | 0 | 0 | 0 | 112.9 | S190 H191 A192 P196 A235 G240 Q242 | P165-S190 WeakPolarHBondContact CB-OG 3.24Å; P165-H191 CarbonylContact C-O 3.57Å; P165-A192 HydrophobicContact CB-CB 4.22Å; P165-A192 HydrophobicContact CG-CB 3.99Å; P165-P196 HydrophobicContact CG-CG 4.45Å; P165-A235 HydrophobicContact CB-CB 4.22Å; P165-A235 HydrophobicContact CG-CB 4.44Å; P165-G240 WeakPolarHBondContact CD-O 3.21Å; P165-Q242 HydrophobicContact CB-CB 4.19Å; P165-Q242 VanDerWaalsContact O-CB 3.23Å; P165-Q242 WeakPolarHBondContact O-CB 3.29Å |
| 166 | K | 95.5 | Very high | 94.5 | Very high | 56 Ų | 56 | 56.6 Ų | 56.6 | 24% | 0.243 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 159.2 | 175.5 | -57 | -67.3 | -178.7 | 172.8 | 0 | 109.5 | E90 Y135 Y163 S164 T168 S190 H191 | E90-K166 IonicContact OE1-NZ 3.23Å; E90-K166 WeakPolarHBondContact OE2-CE 3.28Å; E90-K166 IonicContact OE2-NZ 3.34Å; E90-K166 PolarHBondContact OE2-NZ 2.79Å; Y135-K166 HydrophobicContact CD1-CG 4.41Å; Y163-K166 HydrophobicContact CD2-CG 3.86Å; Y163-K166 HydrophobicContact CE2-CG 4.22Å; S164-K166 PolarHBondContact O-N 2.95Å; K166-T168 PolarHBondContact O-N 2.81Å; K166-S190 PolarHBondContact O-OG 2.9Å; K166-H191 PolarHBondContact N-O 2.93Å; K166-H191 PolarHBondContact O-N 2.77Å |
| 167 | N | 95.7 | Very high | 94.3 | Very high | 102 Ų | 102 | 57.5 Ų | 57.5 | 55% | 0.545 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 45.4 | 46.5 | -178.7 | -168.6 | 31.6 | 0 | 0 | 0 | 112.3 | H169 | N167-H169 PolarHBondContact O-ND1 2.94Å |
| 168 | T | 97.8 | Very high | 94.3 | Very high | 9 Ų | 9 | 56.1 Ų | 56.1 | 6% | 0.055 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 128.9 | 176.4 | -50.5 | 0 | 0 | 0 | 0 | 110.3 | K166 S189 S190 A235 Q242 S244 | K166-T168 PolarHBondContact O-N 2.81Å; T168-S189 CarbonylContact C-O 3.55Å; T168-S189 VanDerWaalsContact CA-O 3.29Å; T168-S189 WeakPolarHBondContact CA-O 3.48Å; T168-S190 WeakPolarHBondContact OG1-CB 3.38Å; T168-S190 PolarHBondContact OG1-OG 2.81Å; T168-A235 HydrophobicContact CG2-CB 3.99Å; T168-Q242 WeakPolarHBondContact OG1-CB 3.29Å; T168-Q242 PolarHBondContact OG1-O 2.8Å; T168-Q242 PolarHBondContact OG1-OE1 3.17Å; T168-Q242 VanDerWaalsContact OG1-OE1 3.1Å; T168-S244 WeakPolarHBondContact O-CA 3.32Å |
| 169 | H | 97.2 | Very high | 94.4 | Very high | 39 Ų | 39 | 58.1 Ų | 58.1 | 18% | 0.181 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 158.1 | -178.1 | 57.2 | -84.3 | 0 | 0 | 0 | 111.6 | N167 W171 S189 | N167-H169 PolarHBondContact O-ND1 2.94Å; H169-W171 AromaticContact CD2-CD1 3.56Å; H169-W171 AromaticContact CD2-CE2 3.15Å; H169-W171 AromaticContact CD2-CZ2 3.38Å; H169-W171 WeakPolarHBondContact CD2-CZ2 3.28Å; H169-W171 AromaticContact CD2-NE1 2.85Å; H169-W171 PolarHBondContact CD2-NE1 3.43Å; H169-W171 AromaticContact NE2-CD1 3.72Å; H169-W171 AromaticContact NE2-CE2 3.27Å; H169-W171 VanDerWaalsContact NE2-CE2 3.27Å; H169-W171 AromaticContact NE2-CZ2 3.4Å; H169-W171 WeakPolarHBondContact NE2-CZ2 3.35Å; H169-W171 AromaticContact NE2-NE1 2.73Å; H169-W171 PolarHBondContact NE2-NE1 3.2Å; H169-S189 PolarHBondContact N-O 2.98Å; H169-S189 PolarHBondContact O-N 2.7Å |
| 170 | V | 97.6 | Very high | 94.5 | Very high | 19 Ų | 19 | 61.4 Ų | 61.4 | 12% | 0.115 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 130.6 | -177.9 | 171.1 | 0 | 0 | 0 | 0 | 109.6 | L186 S187 W201 C233 S244 | V170-L186 HydrophobicContact CG1-CB 4.31Å; V170-S187 WeakPolarHBondContact CA-O 3.35Å; V170-W201 HydrophobicContact CB-CH2 4.28Å; V170-W201 HydrophobicContact CB-CZ3 4.41Å; V170-W201 HydrophobicContact CG1-CH2 3.7Å; V170-W201 HydrophobicContact CG1-CZ3 3.86Å; V170-W201 HydrophobicContact CG2-CH2 3.66Å; V170-W201 HydrophobicContact CG2-CZ3 3.62Å; V170-C233 HydrophobicContact CG2-CB 4.29Å; V170-C233 VanDerWaalsContact CG2-SG 3.56Å; V170-S244 WeakPolarHBondContact CG2-OG 3.33Å |
| 171 | W | 95.1 | Very high | 94.5 | Very high | 146 Ų | 146 | 60.3 Ų | 60.3 | 55% | 0.553 | 30% | 0.299 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 145.4 | 168.5 | -54.9 | 97.8 | 0 | 0 | 0 | 110.8 | H169 L186 S187 | H169-W171 AromaticContact CD2-CD1 3.56Å; H169-W171 AromaticContact CD2-CE2 3.15Å; H169-W171 AromaticContact CD2-CZ2 3.38Å; H169-W171 WeakPolarHBondContact CD2-CZ2 3.28Å; H169-W171 AromaticContact CD2-NE1 2.85Å; H169-W171 PolarHBondContact CD2-NE1 3.43Å; H169-W171 AromaticContact NE2-CD1 3.72Å; H169-W171 AromaticContact NE2-CE2 3.27Å; H169-W171 VanDerWaalsContact NE2-CE2 3.27Å; H169-W171 AromaticContact NE2-CZ2 3.4Å; H169-W171 WeakPolarHBondContact NE2-CZ2 3.35Å; H169-W171 AromaticContact NE2-NE1 2.73Å; H169-W171 PolarHBondContact NE2-NE1 3.2Å; W171-L186 WeakPolarHBondContact O-CA 3.2Å; W171-S187 PolarHBondContact N-O 2.99Å; W171-S187 PolarHBondContact O-N 3.3Å |
| 172 | T | 95.7 | Very high | 94.5 | Very high | 29 Ų | 29 | 62.1 Ų | 62.1 | 18% | 0.178 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 128.7 | 177.1 | -53.9 | 0 | 0 | 0 | 0 | 109.5 | P174 Q175 I178 V184 L186 L249 | T172-P174 CarbonylContact O-C 3.5Å; T172-Q175 VanDerWaalsContact O-CG 3.25Å; T172-Q175 WeakPolarHBondContact O-CG 3.48Å; T172-I178 HydrophobicContact CG2-CD1 3.69Å; T172-V184 HydrophobicContact CG2-CG1 3.88Å; T172-L186 HydrophobicContact CG2-CD2 3.7Å; T172-L186 WeakPolarHBondContact OG1-CD2 3.33Å; T172-L249 HydrophobicContact CG2-CD1 4.48Å |
| 173 | S | 94.2 | Very high | 94.5 | Very high | 72 Ų | 72 | 65.3 Ų | 65.3 | 50% | 0.503 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 126.9 | 171.8 | -174.4 | 0 | 0 | 0 | 0 | 110.2 | V184 N185 | S173-V184 WeakPolarHBondContact O-CA 3.44Å; S173-N185 PolarHBondContact N-O 2.85Å; S173-N185 PolarHBondContact O-N 3.19Å |
| 174 | P | 91.6 | Very high | 94.5 | Very high | 43 Ų | 43 | 64.6 Ų | 64.6 | 28% | 0.279 | 33% | 0.331 | S | S | . | . | S | Bend | cis | -79.5 | 152.7 | 1.1 | 35.2 | -37.4 | 0 | 0 | 0 | 112.9 | T172 R176 | T172-P174 CarbonylContact O-C 3.5Å; P174-R176 HydrophobicContact CB-CG 3.84Å; P174-R176 HydrophobicContact CG-CG 3.83Å; P174-R176 PolarHBondContact O-N 3.49Å |
| 175 | Q | 84.3 | Confident | 94.5 | Very high | 168 Ų | 168 | 65.1 Ų | 65.1 | 79% | 0.785 | 33% | 0.332 | S | S | * | . | trans | -78.9 | 50.4 | 176.8 | -70 | -176 | -72.4 | 0 | 0 | 112.9 | T172 | T172-Q175 VanDerWaalsContact O-CG 3.25Å; T172-Q175 WeakPolarHBondContact O-CG 3.48Å | ||
| 176 | R | 85.1 | Confident | 94.5 | Very high | 179 Ų | 179 | 65.1 Ų | 65.1 | 68% | 0.675 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -143.6 | 178.6 | -177.5 | 62.2 | -169 | -81.6 | -96.8 | -0 | 110.6 | P174 I178 | P174-R176 HydrophobicContact CB-CG 3.84Å; P174-R176 HydrophobicContact CG-CG 3.83Å; P174-R176 PolarHBondContact O-N 3.49Å; R176-I178 WeakPolarHBondContact O-CG1 3.29Å; R176-I178 PolarHBondContact O-N 3.3Å |
| 177 | D | 89.7 | Confident | 94.6 | Very high | 83 Ų | 83 | 63.9 Ų | 63.9 | 44% | 0.444 | 33% | 0.33 | S | S | . | . | trans | -50.8 | 109 | 169.7 | -87.9 | 11.5 | 0 | 0 | 0 | 111.3 | L252 R332 | D177-L252 HydrophobicContact CB-CD1 3.52Å; D177-L252 VanDerWaalsContact CG-CD1 3.45Å; D177-L252 VanDerWaalsContact OD2-CD1 3.31Å; D177-L252 WeakPolarHBondContact OD2-CD1 3.4Å; D177-R332 IonicContact OD1-NH2 2.8Å; D177-R332 IonicContact OD2-CZ 3.92Å; D177-R332 VanDerWaalsContact OD2-CZ 3.28Å; D177-R332 IonicContact OD2-NH1 2.81Å; D177-R332 PolarHBondContact OD2-NH1 2.86Å; D177-R332 IonicContact OD2-NH2 3.65Å; D177-R332 PolarHBondContact OD2-NH2 2.85Å | ||
| 178 | I | 95.3 | Very high | 94.7 | Very high | 13 Ų | 13 | 59.1 Ų | 59.1 | 7% | 0.067 | 31% | 0.305 | C | S | . | . | P | Polyproline II helix | trans | -87.2 | 118.2 | 178.9 | -71.3 | 163.8 | 0 | 0 | 0 | 108.4 | T172 R176 V184 V223 L249 V251 L252 | T172-I178 HydrophobicContact CG2-CD1 3.69Å; R176-I178 WeakPolarHBondContact O-CG1 3.29Å; R176-I178 PolarHBondContact O-N 3.3Å; I178-V184 HydrophobicContact CB-CG2 4.34Å; I178-V184 HydrophobicContact CD1-CG1 3.85Å; I178-V184 HydrophobicContact CD1-CG2 3.88Å; I178-V184 HydrophobicContact CG1-CG2 3.95Å; I178-V184 HydrophobicContact CG2-CG2 3.43Å; I178-V184 VanDerWaalsContact CG2-CG2 3.43Å; I178-V223 HydrophobicContact CG2-CG1 3.55Å; I178-L249 HydrophobicContact CD1-CD1 3.62Å; I178-V251 HydrophobicContact CG2-CG2 4.41Å; I178-L252 WeakPolarHBondContact O-CB 3.45Å; I178-L252 WeakPolarHBondContact O-CG 3.14Å; I178-L252 PolarHBondContact O-N 2.77Å |
| 179 | R | 95.3 | Very high | 94.6 | Very high | 136 Ų | 136 | 60.6 Ų | 60.6 | 51% | 0.513 | 32% | 0.316 | S | S | . | . | B | Isolated β-bridge | trans | -95.8 | 150.3 | 176.5 | -66 | -175.8 | 179.3 | -177.8 | -1.7 | 111.6 | G181 S182 L252 | R179-G181 PolarHBondContact O-N 2.88Å; R179-S182 PolarHBondContact N-OG 2.78Å; R179-S182 WeakPolarHBondContact O-CB 3.38Å; R179-S182 PolarHBondContact O-N 3.47Å; R179-S182 PolarHBondContact O-OG 2.79Å; R179-L252 CarbonylContact C-O 3.48Å; R179-L252 WeakPolarHBondContact CA-O 3.49Å; R179-L252 HydrophobicContact CG-CB 4.42Å |
| 180 | E | 96.1 | Very high | 94.6 | Very high | 73 Ų | 73 | 59.5 Ų | 59.5 | 34% | 0.341 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.6 | 135.1 | 171.6 | 178.9 | 158.1 | -112.5 | 0 | 0 | 110.7 | V223 G224 A225 V251 L252 Y253 K256 | E180-V223 CarbonylContact C-O 3.54Å; E180-V223 WeakPolarHBondContact CA-O 3.19Å; E180-G224 WeakPolarHBondContact OE1-CA 3.32Å; E180-A225 PolarHBondContact OE1-N 3.47Å; E180-V251 HydrophobicContact CB-CG1 4.23Å; E180-L252 PolarHBondContact N-O 3.15Å; E180-Y253 WeakPolarHBondContact OE2-CB 3.31Å; E180-K256 IonicContact OE1-NZ 3.19Å; E180-K256 PolarHBondContact OE1-NZ 3.1Å; E180-K256 IonicContact OE2-NZ 2.88Å; E180-K256 PolarHBondContact OE2-NZ 2.83Å |
| 181 | G | 95.5 | Very high | 94.5 | Very high | 46 Ų | 46 | 63.2 Ų | 63.2 | 47% | 0.474 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88.6 | -9.8 | -172 | 0 | 0 | 0 | 0 | 0 | 115.3 | R179 S222 V223 | R179-G181 PolarHBondContact O-N 2.88Å; G181-S222 WeakPolarHBondContact CA-OG 3.26Å; G181-V223 PolarHBondContact N-O 3.34Å |
| 182 | S | 95.3 | Very high | 94.6 | Very high | 39 Ų | 39 | 57 Ų | 57 | 27% | 0.273 | 31% | 0.307 | S | S | . | . | trans | -75.8 | 151.5 | 179.6 | -53.3 | 0 | 0 | 0 | 0 | 112.3 | R179 V223 | R179-S182 PolarHBondContact N-OG 2.78Å; R179-S182 WeakPolarHBondContact O-CB 3.38Å; R179-S182 PolarHBondContact O-N 3.47Å; R179-S182 PolarHBondContact O-OG 2.79Å; S182-V223 WeakPolarHBondContact O-CG1 3.42Å; S182-V223 PolarHBondContact O-N 2.88Å | ||
| 183 | S | 96.1 | Very high | 94.5 | Very high | 75 Ų | 75 | 57.6 Ų | 57.6 | 52% | 0.524 | 31% | 0.309 | S | S | . | . | trans | -81.1 | 130.4 | 166.8 | -174.3 | 0 | 0 | 0 | 0 | 110.5 | F220 P221 | S183-F220 CarbonylContact C-O 3.57Å; S183-F220 VanDerWaalsContact CA-O 3.28Å; S183-F220 WeakPolarHBondContact CA-O 3.35Å; S183-P221 VanDerWaalsContact CA-O 3.3Å; S183-P221 WeakPolarHBondContact CA-O 3.37Å; S183-P221 WeakPolarHBondContact CB-O 3.32Å | ||
| 184 | V | 96.4 | Very high | 94.6 | Very high | 1 Ų | 1 | 55.9 Ų | 55.9 | 1% | 0.006 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 140.4 | -177.8 | -179.9 | 0 | 0 | 0 | 0 | 109.6 | T172 S173 I178 F220 V223 L249 | T172-V184 HydrophobicContact CG2-CG1 3.88Å; S173-V184 WeakPolarHBondContact O-CA 3.44Å; I178-V184 HydrophobicContact CB-CG2 4.34Å; I178-V184 HydrophobicContact CD1-CG1 3.85Å; I178-V184 HydrophobicContact CD1-CG2 3.88Å; I178-V184 HydrophobicContact CG1-CG2 3.95Å; I178-V184 HydrophobicContact CG2-CG2 3.43Å; I178-V184 VanDerWaalsContact CG2-CG2 3.43Å; V184-F220 PolarHBondContact N-O 2.77Å; V184-F220 PolarHBondContact O-N 3Å; V184-V223 HydrophobicContact CG2-CB 4.21Å; V184-V223 HydrophobicContact CG2-CG1 3.95Å; V184-L249 HydrophobicContact CG1-CD1 4.03Å |
| 185 | N | 96.7 | Very high | 94.8 | Very high | 38 Ų | 38 | 58 Ų | 58 | 20% | 0.203 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 124.7 | 173 | -172.5 | 13.4 | 0 | 0 | 0 | 110.7 | S173 N217 L218 | S173-N185 PolarHBondContact N-O 2.85Å; S173-N185 PolarHBondContact O-N 3.19Å; N185-N217 WeakPolarHBondContact OD1-CB 3.37Å; N185-L218 PolarHBondContact OD1-O 3.41Å |
| 186 | L | 97.4 | Very high | 95.5 | Very high | 2 Ų | 2 | 51 Ų | 51 | 1% | 0.01 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 120.2 | 167.2 | -56.5 | -179.2 | 0 | 0 | 0 | 108.5 | V170 W171 T172 W201 N217 L218 F220 Y231 | V170-L186 HydrophobicContact CG1-CB 4.31Å; W171-L186 WeakPolarHBondContact O-CA 3.2Å; T172-L186 HydrophobicContact CG2-CD2 3.7Å; T172-L186 WeakPolarHBondContact OG1-CD2 3.33Å; L186-W201 HydrophobicContact CB-CH2 3.59Å; L186-W201 HydrophobicContact CB-CZ2 4.22Å; L186-W201 HydrophobicContact CB-CZ3 3.89Å; L186-W201 HydrophobicContact CD1-CZ3 4.36Å; L186-W201 WeakPolarHBondContact O-CZ2 3.33Å; L186-N217 CarbonylContact O-C 3.59Å; L186-N217 WeakPolarHBondContact O-CA 3.44Å; L186-L218 HydrophobicContact CB-CB 4.33Å; L186-L218 HydrophobicContact CD1-CD2 4.4Å; L186-L218 PolarHBondContact N-O 2.78Å; L186-L218 PolarHBondContact O-N 2.7Å; L186-F220 HydrophobicContact CD1-CE2 4.01Å; L186-F220 HydrophobicContact CG-CE2 4.27Å; L186-Y231 HydrophobicContact CD1-CD1 4.31Å; L186-Y231 HydrophobicContact CD1-CD2 4.15Å; L186-Y231 HydrophobicContact CD1-CG 3.95Å |
| 187 | S | 97.6 | Very high | 96 | Very high | 30 Ų | 30 | 47.3 Ų | 47.3 | 21% | 0.21 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 131.6 | -178.2 | -59.7 | 0 | 0 | 0 | 0 | 110.9 | V170 W171 N217 | V170-S187 WeakPolarHBondContact CA-O 3.35Å; W171-S187 PolarHBondContact N-O 2.99Å; W171-S187 PolarHBondContact O-N 3.3Å; S187-N217 WeakPolarHBondContact CB-OD1 3.46Å; S187-N217 PolarHBondContact OG-OD1 2.99Å; S187-N217 VanDerWaalsContact OG-OD1 3.13Å |
| 188 | C | 97.9 | Very high | 96.4 | Very high | 1 Ų | 1 | 50 Ų | 50 | 1% | 0.007 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 120.4 | 176.4 | -170.5 | 0 | 0 | 0 | 0 | 109.9 | Y199 W201 Q216 C233 | C188-Y199 HydrophobicContact CB-CD1 3.77Å; C188-Y199 HydrophobicContact CB-CE1 3.99Å; C188-W201 HydrophobicContact CB-CH2 4.17Å; C188-W201 HydrophobicContact CB-CZ2 3.64Å; C188-Q216 WeakPolarHBondContact CB-O 3.39Å; C188-Q216 PolarHBondContact N-O 3.13Å; C188-Q216 WeakPolarHBondContact O-CG 3.48Å; C188-Q216 PolarHBondContact O-NE2 3.31Å; C188-Q216 VanDerWaalsContact O-NE2 3.12Å; C188-C233 HydrophobicContact CB-CB 3.62Å; C188-C233 WeakPolarHBondContact CB-SG 3.38Å; C188-C233 WeakPolarHBondContact SG-CB 3.03Å; C188-C233 CovalentContact SG-SG 2.03Å; C188-C233 PolarHBondContact SG-SG 2.92Å |
| 189 | S | 96.8 | Very high | 96.5 | Very high | 41 Ų | 41 | 50.6 Ų | 50.6 | 29% | 0.287 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 143.2 | 176.5 | -174.1 | 0 | 0 | 0 | 0 | 110.2 | T168 H169 | T168-S189 CarbonylContact C-O 3.55Å; T168-S189 VanDerWaalsContact CA-O 3.29Å; T168-S189 WeakPolarHBondContact CA-O 3.48Å; H169-S189 PolarHBondContact N-O 2.98Å; H169-S189 PolarHBondContact O-N 2.7Å |
| 190 | S | 96.8 | Very high | 96.7 | Very high | 16 Ų | 16 | 44.3 Ų | 44.3 | 11% | 0.112 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.7 | 146.4 | 175.8 | -167.5 | 0 | 0 | 0 | 0 | 110.8 | P165 K166 T168 | P165-S190 WeakPolarHBondContact CB-OG 3.24Å; K166-S190 PolarHBondContact O-OG 2.9Å; T168-S190 WeakPolarHBondContact OG1-CB 3.38Å; T168-S190 PolarHBondContact OG1-OG 2.81Å |
| 191 | H | 95.6 | Very high | 96.8 | Very high | 97 Ų | 97 | 40.9 Ų | 40.9 | 45% | 0.449 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 118.8 | 173.4 | -62.7 | -98.1 | 0 | 0 | 0 | 108.9 | Y163 P165 K166 | Y163-H191 HydrophobicContact CE2-CB 4.5Å; Y163-H191 WeakPolarHBondContact CE2-O 3.47Å; P165-H191 CarbonylContact C-O 3.57Å; K166-H191 PolarHBondContact N-O 2.93Å; K166-H191 PolarHBondContact O-N 2.77Å |
| 192 | A | 96.4 | Very high | 96.9 | Very high | 14 Ų | 14 | 41.4 Ų | 41.4 | 12% | 0.116 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 150.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | P165 P194 P196 | P165-A192 HydrophobicContact CB-CB 4.22Å; P165-A192 HydrophobicContact CG-CB 3.99Å; A192-P194 CarbonylContact C-O 3.25Å; A192-P194 WeakPolarHBondContact CB-O 3.42Å; A192-P194 CarbonylContact O-C 3.58Å; A192-P196 HydrophobicContact CB-CG 4Å |
| 193 | Q | 95.3 | Very high | 97 | Very high | 43 Ų | 43 | 41.3 Ų | 41.3 | 20% | 0.201 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 112.9 | 170.1 | 178.9 | 58.5 | 40.5 | 0 | 0 | 108.9 | S162 Y163 | S162-Q193 CarbonylContact C-O 3.55Å; S162-Q193 WeakPolarHBondContact CA-O 3.15Å; S162-Q193 VanDerWaalsContact CB-O 3.28Å; S162-Q193 WeakPolarHBondContact CB-O 3.3Å; Y163-Q193 HydrophobicContact CD1-CB 3.83Å; Y163-Q193 HydrophobicContact CE1-CB 3.52Å; Y163-Q193 PolarHBondContact N-O 2.87Å; Y163-Q193 PolarHBondContact O-N 3.29Å; Y163-Q193 VanDerWaalsContact O-O 3.05Å |
| 194 | P | 95.7 | Very high | 97.1 | Very high | 35 Ų | 35 | 39.8 Ų | 39.8 | 23% | 0.227 | 21% | 0.213 | C | C | . | . | S | Bend | cis | -63.9 | 163.4 | -3.3 | -20.9 | 34.2 | 0 | 0 | 0 | 113.5 | A192 N237 | A192-P194 CarbonylContact C-O 3.25Å; A192-P194 WeakPolarHBondContact CB-O 3.42Å; A192-P194 CarbonylContact O-C 3.58Å; P194-N237 PolarHBondContact O-ND2 2.91Å |
| 195 | P | 96.3 | Very high | 96.9 | Very high | 88 Ų | 88 | 43.6 Ų | 43.6 | 57% | 0.571 | 23% | 0.233 | S | C | * | . | P | Polyproline II helix | trans | -52.5 | 152 | 175.3 | -26.3 | 34.6 | 0 | 0 | 0 | 112.7 | S197 | P195-S197 PolarHBondContact O-N 2.88Š|
| 196 | P | 97.7 | Very high | 96.6 | Very high | 20 Ų | 20 | 45 Ų | 45 | 13% | 0.13 | 26% | 0.256 | C | S | . | . | P | Polyproline II helix | trans | -59.5 | 128.5 | 178.5 | -20.2 | 32.8 | 0 | 0 | 0 | 111.4 | P165 A192 Y199 A235 S236 | P165-P196 HydrophobicContact CG-CG 4.45Å; A192-P196 HydrophobicContact CB-CG 4Å; P196-Y199 HydrophobicContact CB-CE1 4.26Å; P196-Y199 HydrophobicContact CB-CE2 4.07Å; P196-A235 HydrophobicContact CB-CB 4.17Å; P196-A235 HydrophobicContact CG-CB 4.24Å; P196-S236 CarbonylContact C-O 3.36Å; P196-S236 VanDerWaalsContact CA-O 3.3Å; P196-S236 WeakPolarHBondContact CA-O 3.46Å |
| 197 | S | 96.9 | Very high | 96.3 | Very high | 102 Ų | 102 | 53.1 Ų | 53.1 | 71% | 0.713 | 30% | 0.3 | S | S | * | . | trans | -95 | -14.4 | 179.1 | 58.5 | 0 | 0 | 0 | 0 | 112.8 | P195 S236 | P195-S197 PolarHBondContact O-N 2.88Å; S197-S236 PolarHBondContact N-O 3.16Å | ||
| 198 | R | 97.6 | Very high | 96.1 | Very high | 141 Ų | 141 | 58.3 Ų | 58.3 | 53% | 0.532 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 137.2 | -179.7 | 173.9 | -179.9 | -172.2 | -114.7 | 4.5 | 111.4 | V200 S236 | R198-V200 HydrophobicContact CG-CG2 4.46Å; R198-S236 WeakPolarHBondContact CB-OG 3.3Å; R198-S236 PolarHBondContact N-O 3.45Å; R198-S236 PolarHBondContact O-N 3.35Å; R198-S236 PolarHBondContact O-OG 3.39Å |
| 199 | Y | 98.2 | Very high | 96 | Very high | 25 Ų | 25 | 61.9 Ų | 61.9 | 10% | 0.098 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 150.2 | 172.6 | -64.5 | -91.9 | 0 | 0 | 0 | 109.9 | C188 P196 H214 S215 Q216 I234 A235 | C188-Y199 HydrophobicContact CB-CD1 3.77Å; C188-Y199 HydrophobicContact CB-CE1 3.99Å; P196-Y199 HydrophobicContact CB-CE1 4.26Å; P196-Y199 HydrophobicContact CB-CE2 4.07Å; Y199-H214 CarbonylContact O-C 3.6Å; Y199-H214 WeakPolarHBondContact O-CA 3.4Å; Y199-S215 WeakPolarHBondContact CB-O 3.46Å; Y199-Q216 HydrophobicContact CD1-CG 4.42Å; Y199-Q216 HydrophobicContact CD2-CB 3.86Å; Y199-Q216 HydrophobicContact CD2-CG 4.38Å; Y199-Q216 HydrophobicContact CE1-CB 4.46Å; Y199-Q216 HydrophobicContact CE1-CG 3.99Å; Y199-Q216 HydrophobicContact CE2-CB 3.79Å; Y199-Q216 HydrophobicContact CE2-CG 3.97Å; Y199-Q216 HydrophobicContact CG-CB 4.24Å; Y199-I234 CarbonylContact C-O 3.49Å; Y199-I234 VanDerWaalsContact CA-O 3.3Å; Y199-I234 WeakPolarHBondContact CA-O 3.35Å; Y199-A235 HydrophobicContact CD1-CB 4.02Å; Y199-A235 HydrophobicContact CE1-CB 3.82Å |
| 200 | V | 98.3 | Very high | 96 | Very high | 4 Ų | 4 | 62 Ų | 62 | 2% | 0.024 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 125 | 169.4 | -169.7 | 0 | 0 | 0 | 0 | 109 | R198 Y202 G213 C233 I234 | R198-V200 HydrophobicContact CG-CG2 4.46Å; V200-Y202 HydrophobicContact CB-CE2 3.91Å; V200-Y202 HydrophobicContact CG1-CD2 4.25Å; V200-Y202 HydrophobicContact CG1-CE1 4.25Å; V200-Y202 HydrophobicContact CG1-CE2 3.52Å; V200-G213 CarbonylContact C-O 3.58Å; V200-G213 WeakPolarHBondContact CA-O 3.33Å; V200-C233 CarbonylContact O-C 3.59Å; V200-C233 VanDerWaalsContact O-CA 3.3Å; V200-C233 WeakPolarHBondContact O-CA 3.17Å; V200-I234 PolarHBondContact N-O 3.34Å; V200-I234 PolarHBondContact O-N 2.9Å |
| 201 | W | 98.4 | Very high | 96 | Very high | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 140.1 | 175.8 | -73.5 | 90.3 | 0 | 0 | 0 | 111.2 | V170 L186 C188 P211 K212 G213 S215 Q216 L218 C233 | V170-W201 HydrophobicContact CB-CH2 4.28Å; V170-W201 HydrophobicContact CB-CZ3 4.41Å; V170-W201 HydrophobicContact CG1-CH2 3.7Å; V170-W201 HydrophobicContact CG1-CZ3 3.86Å; V170-W201 HydrophobicContact CG2-CH2 3.66Å; V170-W201 HydrophobicContact CG2-CZ3 3.62Å; L186-W201 HydrophobicContact CB-CH2 3.59Å; L186-W201 HydrophobicContact CB-CZ2 4.22Å; L186-W201 HydrophobicContact CB-CZ3 3.89Å; L186-W201 HydrophobicContact CD1-CZ3 4.36Å; L186-W201 WeakPolarHBondContact O-CZ2 3.33Å; C188-W201 HydrophobicContact CB-CH2 4.17Å; C188-W201 HydrophobicContact CB-CZ2 3.64Å; W201-P211 CarbonylContact O-C 3.5Å; W201-P211 WeakPolarHBondContact O-CA 3.44Å; W201-K212 HydrophobicContact CB-CB 4.13Å; W201-K212 PolarHBondContact O-N 2.95Å; W201-G213 PolarHBondContact N-O 3Å; W201-S215 VanDerWaalsContact CD1-O 3.27Å; W201-S215 PolarHBondContact NE1-O 2.86Å; W201-Q216 WeakPolarHBondContact CZ2-O 3.32Å; W201-Q216 PolarHBondContact NE1-O 2.88Å; W201-L218 HydrophobicContact CB-CD2 4.07Å; W201-L218 HydrophobicContact CD2-CB 3.78Å; W201-L218 HydrophobicContact CD2-CD2 4.07Å; W201-L218 HydrophobicContact CE3-CB 4.36Å; W201-L218 HydrophobicContact CE3-CD2 4.14Å; W201-L218 HydrophobicContact CG-CB 3.93Å; W201-L218 HydrophobicContact CG-CD2 4.07Å; W201-L218 HydrophobicContact CG-CG 4.5Å; W201-L218 HydrophobicContact CZ2-CB 4.23Å; W201-C233 HydrophobicContact CD2-CB 3.91Å; W201-C233 HydrophobicContact CE3-CB 3.88Å; W201-C233 HydrophobicContact CH2-CB 4.16Å; W201-C233 HydrophobicContact CZ2-CB 4.18Å; W201-C233 HydrophobicContact CZ3-CB 4.01Å |
| 202 | Y | 98.1 | Very high | 96 | Very high | 58 Ų | 58 | 64.4 Ų | 64.4 | 23% | 0.227 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 146.8 | 174.9 | -66.8 | -79.1 | 0 | 0 | 0 | 110.6 | V200 V209 V210 P211 Y231 Y232 I234 | V200-Y202 HydrophobicContact CB-CE2 3.91Å; V200-Y202 HydrophobicContact CG1-CD2 4.25Å; V200-Y202 HydrophobicContact CG1-CE1 4.25Å; V200-Y202 HydrophobicContact CG1-CE2 3.52Å; Y202-V209 HydrophobicContact CD1-CG1 3.48Å; Y202-V209 VanDerWaalsContact CD1-CG1 3.48Å; Y202-V209 HydrophobicContact CE1-CG1 4.26Å; Y202-V209 HydrophobicContact CG-CG1 3.86Å; Y202-V210 CarbonylContact C-O 3.59Å; Y202-V210 WeakPolarHBondContact CA-O 3.44Å; Y202-P211 HydrophobicContact CD1-CB 4.28Å; Y202-P211 HydrophobicContact CE1-CB 4.1Å; Y202-Y231 VanDerWaalsContact O-CA 3.28Å; Y202-Y231 WeakPolarHBondContact O-CA 3.29Å; Y202-Y232 VanDerWaalsContact CB-CE1 3.48Å; Y202-Y232 VanDerWaalsContact CB-CZ 3.44Å; Y202-Y232 HydrophobicContact CD2-CD2 4.21Å; Y202-Y232 AromaticContact CD2-CE2 3.52Å; Y202-Y232 HydrophobicContact CD2-CE2 3.52Å; Y202-Y232 AromaticContact CD2-CZ 3.76Å; Y202-Y232 HydrophobicContact CE2-CE2 4.35Å; Y202-Y232 HydrophobicContact CG-CE1 4.28Å; Y202-Y232 AromaticContact CG-CE2 3.98Å; Y202-Y232 HydrophobicContact CG-CE2 3.98Å; Y202-Y232 AromaticContact CG-CZ 3.73Å; Y202-Y232 PolarHBondContact N-O 3.07Å; Y202-Y232 PolarHBondContact O-N 2.97Å; Y202-I234 HydrophobicContact CD2-CD1 4.24Å; Y202-I234 HydrophobicContact CD2-CG1 4.19Å; Y202-I234 HydrophobicContact CE2-CD1 3.63Å; Y202-I234 HydrophobicContact CE2-CG1 3.91Å |
| 203 | R | 97.5 | Very high | 96 | Very high | 37 Ų | 37 | 64.8 Ų | 64.8 | 14% | 0.14 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 135.8 | 169.4 | -174.6 | -178.6 | 179.2 | -177 | -3.7 | 109.3 | I205 V210 K212 Q226 A228 Q230 Y231 | R203-I205 HydrophobicContact CG-CG1 4.07Å; R203-V210 PolarHBondContact N-O 3.49Å; R203-V210 PolarHBondContact O-N 3.16Å; R203-K212 HydrophobicContact CB-CD 4.46Å; R203-K212 HydrophobicContact CB-CG 3.85Å; R203-Q226 PolarHBondContact NH1-O 2.84Å; R203-Q226 PolarHBondContact NH2-O 2.74Å; R203-A228 PolarHBondContact NH2-O 2.86Å; R203-Q230 WeakPolarHBondContact CA-O 3.39Å; R203-Y231 HydrophobicContact CB-CD1 3.89Å; R203-Y231 HydrophobicContact CB-CE1 3.69Å; R203-Y231 WeakPolarHBondContact CD-OH 3.36Å; R203-Y231 HydrophobicContact CG-CD1 4.13Å; R203-Y231 HydrophobicContact CG-CE1 3.71Å; R203-Y231 HydrophobicContact CG-CE2 4.32Å; R203-Y231 PolarHBondContact NE-OH 2.71Å |
| 204 | I | 96.6 | Very high | 96 | Very high | 42 Ų | 42 | 68.4 Ų | 68.4 | 22% | 0.215 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 126.1 | 175.7 | -54.3 | 173.2 | 0 | 0 | 0 | 108.1 | G206 Q208 Q230 Y232 V246 | I204-G206 WeakPolarHBondContact CG2-O 3.4Å; I204-Q208 WeakPolarHBondContact CA-O 3.38Å; I204-Q230 HydrophobicContact CB-CB 4.15Å; I204-Q230 HydrophobicContact CD1-CB 4.35Å; I204-Q230 PolarHBondContact N-O 2.88Å; I204-Y232 HydrophobicContact CD1-CD1 3.98Å; I204-Y232 HydrophobicContact CD1-CE1 4.1Å; I204-Y232 HydrophobicContact CG1-CD1 4.06Å; I204-Y232 HydrophobicContact CG1-CE1 3.92Å; I204-V246 HydrophobicContact CD1-CG1 4.22Å; I204-V246 HydrophobicContact CD1-CG2 3.88Å |
| 205 | I | 93.3 | Very high | 96.1 | Very high | 82 Ų | 82 | 70.6 Ų | 70.6 | 42% | 0.421 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 98.1 | 178.7 | -54 | 177.1 | 0 | 0 | 0 | 107.6 | R203 D207 Q208 V210 | R203-I205 HydrophobicContact CG-CG1 4.07Å; I205-D207 PolarHBondContact O-N 3.12Å; I205-Q208 PolarHBondContact N-O 2.84Å; I205-Q208 PolarHBondContact O-N 2.84Å; I205-V210 HydrophobicContact CD1-CG2 4.21Å |
| 206 | G | 90.4 | Very high | 96.1 | Very high | 66 Ų | 66 | 70.7 Ų | 70.7 | 68% | 0.68 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.5 | -127.4 | -167.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | I204 Q208 | I204-G206 WeakPolarHBondContact CG2-O 3.4Å; G206-Q208 VanDerWaalsContact C-N 3.32Å |
| 207 | D | 90.8 | Very high | 96.1 | Very high | 174 Ų | 174 | 72.9 Ų | 72.9 | 93% | 0.93 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.6 | -0.2 | 176.9 | -58.4 | -35.3 | 0 | 0 | 0 | 113.5 | I205 | I205-D207 PolarHBondContact O-N 3.12Š|
| 208 | Q | 94 | Very high | 96.1 | Very high | 138 Ų | 138 | 69 Ų | 69 | 65% | 0.645 | 37% | 0.368 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 141.9 | -178.4 | -65.3 | -170.6 | -17 | 0 | 0 | 112.6 | I204 I205 G206 | I204-Q208 WeakPolarHBondContact CA-O 3.38Å; I205-Q208 PolarHBondContact N-O 2.84Å; I205-Q208 PolarHBondContact O-N 2.84Å; G206-Q208 VanDerWaalsContact C-N 3.32Å |
| 209 | V | 96.2 | Very high | 96 | Very high | 76 Ų | 76 | 65.9 Ų | 65.9 | 46% | 0.461 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 118.5 | 175.7 | 176 | 0 | 0 | 0 | 0 | 109.2 | Y202 Y232 | Y202-V209 HydrophobicContact CD1-CG1 3.48Å; Y202-V209 VanDerWaalsContact CD1-CG1 3.48Å; Y202-V209 HydrophobicContact CE1-CG1 4.26Å; Y202-V209 HydrophobicContact CG-CG1 3.86Å; V209-Y232 HydrophobicContact CG1-CE1 4.21Å; V209-Y232 VanDerWaalsContact CG1-OH 3.23Å; V209-Y232 WeakPolarHBondContact CG1-OH 3.25Å |
| 210 | V | 96.3 | Very high | 96 | Very high | 43 Ų | 43 | 65.8 Ų | 65.8 | 26% | 0.261 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 126.4 | -174.2 | -175.7 | 0 | 0 | 0 | 0 | 110.6 | Y202 R203 I205 | Y202-V210 CarbonylContact C-O 3.59Å; Y202-V210 WeakPolarHBondContact CA-O 3.44Å; R203-V210 PolarHBondContact N-O 3.49Å; R203-V210 PolarHBondContact O-N 3.16Å; I205-V210 HydrophobicContact CD1-CG2 4.21Å |
| 211 | P | 96.7 | Very high | 95.9 | Very high | 78 Ų | 78 | 70.5 Ų | 70.5 | 51% | 0.506 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 144.3 | 175.9 | 28.1 | -34.1 | 0 | 0 | 0 | 111.6 | W201 Y202 | W201-P211 CarbonylContact O-C 3.5Å; W201-P211 WeakPolarHBondContact O-CA 3.44Å; Y202-P211 HydrophobicContact CD1-CB 4.28Å; Y202-P211 HydrophobicContact CE1-CB 4.1Å |
| 212 | K | 96.1 | Very high | 95.8 | Very high | 87 Ų | 87 | 74.1 Ų | 74.1 | 38% | 0.378 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | -18.5 | -176.4 | -67.5 | -60.8 | 175.9 | -166.3 | 0 | 115.7 | W201 R203 L218 Y231 | W201-K212 HydrophobicContact CB-CB 4.13Å; W201-K212 PolarHBondContact O-N 2.95Å; R203-K212 HydrophobicContact CB-CD 4.46Å; R203-K212 HydrophobicContact CB-CG 3.85Å; K212-L218 HydrophobicContact CB-CD1 4.23Å; K212-L218 HydrophobicContact CB-CD2 3.96Å; K212-Y231 HydrophobicContact CG-CE1 4.31Å |
| 213 | G | 94.8 | Very high | 95.7 | Very high | 22 Ų | 22 | 71.4 Ų | 71.4 | 23% | 0.227 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 174.2 | 168.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113 | V200 W201 | V200-G213 CarbonylContact C-O 3.58Å; V200-G213 WeakPolarHBondContact CA-O 3.33Å; W201-G213 PolarHBondContact N-O 3Å |
| 214 | H | 96.4 | Very high | 95.6 | Very high | 118 Ų | 118 | 70 Ų | 70 | 55% | 0.546 | 41% | 0.408 | S | S | . | . | S | Bend | trans | -119 | -1.3 | -177.8 | -61.8 | -59.1 | 0 | 0 | 0 | 114.4 | Y199 | Y199-H214 CarbonylContact O-C 3.6Å; Y199-H214 WeakPolarHBondContact O-CA 3.4Å |
| 215 | S | 96.6 | Very high | 95.5 | Very high | 81 Ų | 81 | 69 Ų | 69 | 57% | 0.566 | 41% | 0.406 | S | S | * | . | S | Bend | trans | -83.6 | 158.2 | 177.6 | -58.3 | 0 | 0 | 0 | 0 | 110.9 | Y199 W201 N217 | Y199-S215 WeakPolarHBondContact CB-O 3.46Å; W201-S215 VanDerWaalsContact CD1-O 3.27Å; W201-S215 PolarHBondContact NE1-O 2.86Å; S215-N217 WeakPolarHBondContact CB-O 3.45Å; S215-N217 PolarHBondContact O-N 2.87Å |
| 216 | Q | 97.1 | Very high | 95.4 | Very high | 91 Ų | 91 | 71 Ų | 71 | 43% | 0.425 | 41% | 0.413 | S | S | . | . | S | Bend | trans | -55.6 | -34 | 172 | -174.2 | 178.1 | 10.1 | 0 | 0 | 112 | C188 Y199 W201 | C188-Q216 WeakPolarHBondContact CB-O 3.39Å; C188-Q216 PolarHBondContact N-O 3.13Å; C188-Q216 WeakPolarHBondContact O-CG 3.48Å; C188-Q216 PolarHBondContact O-NE2 3.31Å; C188-Q216 VanDerWaalsContact O-NE2 3.12Å; Y199-Q216 HydrophobicContact CD1-CG 4.42Å; Y199-Q216 HydrophobicContact CD2-CB 3.86Å; Y199-Q216 HydrophobicContact CD2-CG 4.38Å; Y199-Q216 HydrophobicContact CE1-CB 4.46Å; Y199-Q216 HydrophobicContact CE1-CG 3.99Å; Y199-Q216 HydrophobicContact CE2-CB 3.79Å; Y199-Q216 HydrophobicContact CE2-CG 3.97Å; Y199-Q216 HydrophobicContact CG-CB 4.24Å; W201-Q216 WeakPolarHBondContact CZ2-O 3.32Å; W201-Q216 PolarHBondContact NE1-O 2.88Å |
| 217 | N | 97.4 | Very high | 95.6 | Very high | 66 Ų | 66 | 70 Ų | 70 | 35% | 0.353 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 134.7 | -177.7 | -65 | -12.6 | 0 | 0 | 0 | 110.6 | N185 L186 S187 S215 | N185-N217 WeakPolarHBondContact OD1-CB 3.37Å; L186-N217 CarbonylContact O-C 3.59Å; L186-N217 WeakPolarHBondContact O-CA 3.44Å; S187-N217 WeakPolarHBondContact CB-OD1 3.46Å; S187-N217 PolarHBondContact OG-OD1 2.99Å; S187-N217 VanDerWaalsContact OG-OD1 3.13Å; S215-N217 WeakPolarHBondContact CB-O 3.45Å; S215-N217 PolarHBondContact O-N 2.87Å |
| 218 | L | 97.1 | Very high | 95.8 | Very high | 19 Ų | 19 | 63.2 Ų | 63.2 | 10% | 0.099 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 101.5 | 170.2 | 178.8 | 64.3 | 0 | 0 | 0 | 108.8 | N185 L186 W201 K212 F220 Y231 | N185-L218 PolarHBondContact OD1-O 3.41Å; L186-L218 HydrophobicContact CB-CB 4.33Å; L186-L218 HydrophobicContact CD1-CD2 4.4Å; L186-L218 PolarHBondContact N-O 2.78Å; L186-L218 PolarHBondContact O-N 2.7Å; W201-L218 HydrophobicContact CB-CD2 4.07Å; W201-L218 HydrophobicContact CD2-CB 3.78Å; W201-L218 HydrophobicContact CD2-CD2 4.07Å; W201-L218 HydrophobicContact CE3-CB 4.36Å; W201-L218 HydrophobicContact CE3-CD2 4.14Å; W201-L218 HydrophobicContact CG-CB 3.93Å; W201-L218 HydrophobicContact CG-CD2 4.07Å; W201-L218 HydrophobicContact CG-CG 4.5Å; W201-L218 HydrophobicContact CZ2-CB 4.23Å; K212-L218 HydrophobicContact CB-CD1 4.23Å; K212-L218 HydrophobicContact CB-CD2 3.96Å; L218-F220 HydrophobicContact CD1-CZ 4.5Å; L218-F220 HydrophobicContact CD2-CE2 4.08Å; L218-F220 HydrophobicContact CD2-CZ 3.8Å; L218-F220 HydrophobicContact CG-CE2 3.95Å; L218-F220 HydrophobicContact CG-CZ 3.89Å; L218-Y231 HydrophobicContact CD2-CD1 4.06Å; L218-Y231 HydrophobicContact CD2-CE1 4.15Å |
| 219 | T | 96.6 | Very high | 95.8 | Very high | 77 Ų | 77 | 58 Ų | 58 | 47% | 0.472 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 132.5 | -174.3 | -50.1 | 0 | 0 | 0 | 0 | 111.6 | ||
| 220 | F | 96.6 | Very high | 95.8 | Very high | 22 Ų | 22 | 58.7 Ų | 58.7 | 10% | 0.096 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 101.2 | 169.6 | -57.4 | -81.6 | 0 | 0 | 0 | 108.5 | S183 V184 L186 L218 S222 V223 H227 Y231 L249 | S183-F220 CarbonylContact C-O 3.57Å; S183-F220 VanDerWaalsContact CA-O 3.28Å; S183-F220 WeakPolarHBondContact CA-O 3.35Å; V184-F220 PolarHBondContact N-O 2.77Å; V184-F220 PolarHBondContact O-N 3Å; L186-F220 HydrophobicContact CD1-CE2 4.01Å; L186-F220 HydrophobicContact CG-CE2 4.27Å; L218-F220 HydrophobicContact CD1-CZ 4.5Å; L218-F220 HydrophobicContact CD2-CE2 4.08Å; L218-F220 HydrophobicContact CD2-CZ 3.8Å; L218-F220 HydrophobicContact CG-CE2 3.95Å; L218-F220 HydrophobicContact CG-CZ 3.89Å; F220-S222 PolarHBondContact O-N 2.76Å; F220-V223 HydrophobicContact CB-CB 4.33Å; F220-V223 HydrophobicContact CB-CG2 4.44Å; F220-H227 HydrophobicContact CD1-CB 4.43Å; F220-H227 AromaticContact CD1-CD2 3.63Å; F220-H227 HydrophobicContact CE1-CB 4.38Å; F220-H227 AromaticContact CE1-CD2 3.62Å; F220-Y231 HydrophobicContact CZ-CE1 4.12Å; F220-L249 HydrophobicContact CD2-CD2 4.26Å; F220-L249 HydrophobicContact CE2-CD2 3.98Å |
| 221 | P | 96 | Very high | 95.9 | Very high | 103 Ų | 103 | 56.7 Ų | 56.7 | 67% | 0.669 | 33% | 0.328 | S | S | * | . | S | Bend | trans | -62.5 | -31.6 | -178.8 | -24.4 | 34.3 | 0 | 0 | 0 | 113.7 | S183 | S183-P221 VanDerWaalsContact CA-O 3.3Å; S183-P221 WeakPolarHBondContact CA-O 3.37Å; S183-P221 WeakPolarHBondContact CB-O 3.32Å |
| 222 | S | 96.8 | Very high | 96 | Very high | 76 Ų | 76 | 55 Ų | 55 | 53% | 0.531 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -143.7 | 104.7 | 175.4 | 178.9 | 0 | 0 | 0 | 0 | 108.8 | G181 F220 | G181-S222 WeakPolarHBondContact CA-OG 3.26Å; F220-S222 PolarHBondContact O-N 2.76Å |
| 223 | V | 96.7 | Very high | 96.1 | Very high | 1 Ų | 1 | 50.9 Ų | 50.9 | 1% | 0.006 | 29% | 0.294 | C | S | . | . | trans | -85.3 | 125 | -174.3 | 76 | 0 | 0 | 0 | 0 | 111.1 | I178 E180 G181 S182 V184 F220 H227 L249 V251 | I178-V223 HydrophobicContact CG2-CG1 3.55Å; E180-V223 CarbonylContact C-O 3.54Å; E180-V223 WeakPolarHBondContact CA-O 3.19Å; G181-V223 PolarHBondContact N-O 3.34Å; S182-V223 WeakPolarHBondContact O-CG1 3.42Å; S182-V223 PolarHBondContact O-N 2.88Å; V184-V223 HydrophobicContact CG2-CB 4.21Å; V184-V223 HydrophobicContact CG2-CG1 3.95Å; F220-V223 HydrophobicContact CB-CB 4.33Å; F220-V223 HydrophobicContact CB-CG2 4.44Å; V223-H227 HydrophobicContact CG2-CB 3.71Å; V223-L249 HydrophobicContact CG2-CD2 4.36Å; V223-V251 HydrophobicContact CG1-CG1 3.99Å; V223-V251 HydrophobicContact CG1-CG2 4.26Å; V223-V251 HydrophobicContact CG2-CG1 4.47Å; V223-V251 HydrophobicContact CG2-CG2 3.56Å | ||
| 224 | G | 95.3 | Very high | 96.3 | Very high | 7 Ų | 7 | 51.6 Ų | 51.6 | 7% | 0.072 | 29% | 0.292 | C | S | . | . | trans | -102.8 | 168.5 | 168.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | E180 Q226 H227 | E180-G224 WeakPolarHBondContact OE1-CA 3.32Å; G224-Q226 VanDerWaalsContact C-OE1 3.29Å; G224-Q226 PolarHBondContact O-N 2.76Å; G224-Q226 VanDerWaalsContact O-N 3.13Å; G224-H227 PolarHBondContact N-ND1 2.85Å; G224-H227 WeakPolarHBondContact O-CB 3.48Å; G224-H227 PolarHBondContact O-N 2.73Å; G224-H227 PolarHBondContact O-ND1 2.77Å | ||
| 225 | A | 93.6 | Very high | 96.4 | Very high | 22 Ų | 22 | 46 Ų | 46 | 18% | 0.182 | 27% | 0.266 | C | S | . | . | G | 310 helix | trans | -51.9 | -34.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | E180 H227 A228 Y253 | E180-A225 PolarHBondContact OE1-N 3.47Å; A225-H227 PolarHBondContact O-N 2.89Å; A225-A228 WeakPolarHBondContact O-CB 3.43Å; A225-A228 PolarHBondContact O-N 2.94Å; A225-A228 VanDerWaalsContact O-N 3.12Å; A225-Y253 HydrophobicContact CB-CD1 3.74Å; A225-Y253 HydrophobicContact CB-CE1 3.49Å; A225-Y253 VanDerWaalsContact CB-CE1 3.49Å; A225-Y253 HydrophobicContact CB-CE2 4.43Å; A225-Y253 HydrophobicContact CB-CG 4.33Å |
| 226 | Q | 92.4 | Very high | 96.5 | Very high | 123 Ų | 123 | 43 Ų | 43 | 58% | 0.575 | 25% | 0.246 | S | C | * | . | G | 310 helix | trans | -66.3 | -13.2 | 177.3 | 74.1 | -77.4 | 6.6 | 0 | 0 | 114.3 | R203 G224 | R203-Q226 PolarHBondContact NH1-O 2.84Å; R203-Q226 PolarHBondContact NH2-O 2.74Å; G224-Q226 VanDerWaalsContact C-OE1 3.29Å; G224-Q226 PolarHBondContact O-N 2.76Å; G224-Q226 VanDerWaalsContact O-N 3.13Å |
| 227 | H | 94.7 | Very high | 96.5 | Very high | 47 Ų | 47 | 39.3 Ų | 39.3 | 22% | 0.218 | 23% | 0.229 | C | C | . | . | G | 310 helix | trans | -91.3 | -15.3 | 174.8 | -56.6 | 101.9 | 0 | 0 | 0 | 112.6 | F220 V223 G224 A225 Y231 | F220-H227 HydrophobicContact CD1-CB 4.43Å; F220-H227 AromaticContact CD1-CD2 3.63Å; F220-H227 HydrophobicContact CE1-CB 4.38Å; F220-H227 AromaticContact CE1-CD2 3.62Å; V223-H227 HydrophobicContact CG2-CB 3.71Å; G224-H227 PolarHBondContact N-ND1 2.85Å; G224-H227 WeakPolarHBondContact O-CB 3.48Å; G224-H227 PolarHBondContact O-N 2.73Å; G224-H227 PolarHBondContact O-ND1 2.77Å; A225-H227 PolarHBondContact O-N 2.89Å; H227-Y231 VanDerWaalsContact O-CE2 3.3Å; H227-Y231 WeakPolarHBondContact O-CE2 3.48Å; H227-Y231 PolarHBondContact O-OH 2.94Å |
| 228 | A | 94.3 | Very high | 96.4 | Very high | 30 Ų | 30 | 43 Ų | 43 | 25% | 0.248 | 24% | 0.238 | C | C | . | . | trans | -60.7 | 145.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111 | R203 A225 L249 V251 | R203-A228 PolarHBondContact NH2-O 2.86Å; A225-A228 WeakPolarHBondContact O-CB 3.43Å; A225-A228 PolarHBondContact O-N 2.94Å; A225-A228 VanDerWaalsContact O-N 3.12Å; A228-L249 CarbonylContact C-O 3.52Å; A228-L249 VanDerWaalsContact CA-O 3.22Å; A228-L249 WeakPolarHBondContact CA-O 3.24Å; A228-V251 HydrophobicContact CB-CB 4.19Å; A228-V251 HydrophobicContact CB-CG2 3.99Å | ||
| 229 | G | 94.6 | Very high | 96.4 | Very high | 28 Ų | 28 | 45.4 Ų | 45.4 | 29% | 0.289 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 142.7 | -165.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y231 L249 | G229-Y231 WeakPolarHBondContact O-CD2 3.42Å; G229-L249 PolarHBondContact N-O 2.88Å; G229-L249 PolarHBondContact O-N 3.11Å |
| 230 | Q | 96.9 | Very high | 96.4 | Very high | 91 Ų | 91 | 43.2 Ų | 43.2 | 43% | 0.425 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 131.3 | -173.2 | -74.6 | 177.5 | -22.6 | 0 | 0 | 111.5 | R203 I204 V246 | R203-Q230 WeakPolarHBondContact CA-O 3.39Å; I204-Q230 HydrophobicContact CB-CB 4.15Å; I204-Q230 HydrophobicContact CD1-CB 4.35Å; I204-Q230 PolarHBondContact N-O 2.88Å; Q230-V246 HydrophobicContact CB-CG1 3.59Å; Q230-V246 HydrophobicContact CG-CG1 3.8Å |
| 231 | Y | 97.6 | Very high | 96.5 | Very high | 2 Ų | 2 | 45.7 Ų | 45.7 | 1% | 0.008 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 149.3 | -178.9 | -66.3 | -96.6 | 0 | 0 | 0 | 110.6 | L186 Y202 R203 K212 L218 F220 H227 G229 S247 L249 | L186-Y231 HydrophobicContact CD1-CD1 4.31Å; L186-Y231 HydrophobicContact CD1-CD2 4.15Å; L186-Y231 HydrophobicContact CD1-CG 3.95Å; Y202-Y231 VanDerWaalsContact O-CA 3.28Å; Y202-Y231 WeakPolarHBondContact O-CA 3.29Å; R203-Y231 HydrophobicContact CB-CD1 3.89Å; R203-Y231 HydrophobicContact CB-CE1 3.69Å; R203-Y231 WeakPolarHBondContact CD-OH 3.36Å; R203-Y231 HydrophobicContact CG-CD1 4.13Å; R203-Y231 HydrophobicContact CG-CE1 3.71Å; R203-Y231 HydrophobicContact CG-CE2 4.32Å; R203-Y231 PolarHBondContact NE-OH 2.71Å; K212-Y231 HydrophobicContact CG-CE1 4.31Å; L218-Y231 HydrophobicContact CD2-CD1 4.06Å; L218-Y231 HydrophobicContact CD2-CE1 4.15Å; F220-Y231 HydrophobicContact CZ-CE1 4.12Å; H227-Y231 VanDerWaalsContact O-CE2 3.3Å; H227-Y231 WeakPolarHBondContact O-CE2 3.48Å; H227-Y231 PolarHBondContact O-OH 2.94Å; G229-Y231 WeakPolarHBondContact O-CD2 3.42Å; Y231-S247 PolarHBondContact N-O 2.77Å; Y231-S247 PolarHBondContact O-N 3.23Å; Y231-L249 HydrophobicContact CD2-CB 3.97Å; Y231-L249 HydrophobicContact CE2-CB 3.86Å; Y231-L249 HydrophobicContact CE2-CD2 4.09Å |
| 232 | Y | 98.2 | Very high | 96.6 | Very high | 42 Ų | 42 | 44 Ų | 44 | 17% | 0.165 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 158.2 | 166.5 | 68.2 | -86.1 | 0 | 0 | 0 | 109.4 | Y202 I204 V209 I234 S244 | Y202-Y232 VanDerWaalsContact CB-CE1 3.48Å; Y202-Y232 VanDerWaalsContact CB-CZ 3.44Å; Y202-Y232 HydrophobicContact CD2-CD2 4.21Å; Y202-Y232 AromaticContact CD2-CE2 3.52Å; Y202-Y232 HydrophobicContact CD2-CE2 3.52Å; Y202-Y232 AromaticContact CD2-CZ 3.76Å; Y202-Y232 HydrophobicContact CE2-CE2 4.35Å; Y202-Y232 HydrophobicContact CG-CE1 4.28Å; Y202-Y232 AromaticContact CG-CE2 3.98Å; Y202-Y232 HydrophobicContact CG-CE2 3.98Å; Y202-Y232 AromaticContact CG-CZ 3.73Å; Y202-Y232 PolarHBondContact N-O 3.07Å; Y202-Y232 PolarHBondContact O-N 2.97Å; I204-Y232 HydrophobicContact CD1-CD1 3.98Å; I204-Y232 HydrophobicContact CD1-CE1 4.1Å; I204-Y232 HydrophobicContact CG1-CD1 4.06Å; I204-Y232 HydrophobicContact CG1-CE1 3.92Å; V209-Y232 HydrophobicContact CG1-CE1 4.21Å; V209-Y232 VanDerWaalsContact CG1-OH 3.23Å; V209-Y232 WeakPolarHBondContact CG1-OH 3.25Å; Y232-I234 HydrophobicContact CD2-CG1 4.36Å; Y232-I234 HydrophobicContact CE2-CD1 4.29Å; Y232-I234 HydrophobicContact CE2-CG1 4.1Å; Y232-S244 WeakPolarHBondContact CA-OG 3.46Å; Y232-S244 WeakPolarHBondContact CB-OG 3.05Å |
| 233 | C | 98.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 152.6 | 175.5 | 65.4 | 0 | 0 | 0 | 0 | 110.6 | V170 C188 V200 W201 S243 S244 | V170-C233 HydrophobicContact CG2-CB 4.29Å; V170-C233 VanDerWaalsContact CG2-SG 3.56Å; C188-C233 HydrophobicContact CB-CB 3.62Å; C188-C233 WeakPolarHBondContact CB-SG 3.38Å; C188-C233 WeakPolarHBondContact SG-CB 3.03Å; C188-C233 CovalentContact SG-SG 2.03Å; C188-C233 PolarHBondContact SG-SG 2.92Å; V200-C233 CarbonylContact O-C 3.59Å; V200-C233 VanDerWaalsContact O-CA 3.3Å; V200-C233 WeakPolarHBondContact O-CA 3.17Å; W201-C233 HydrophobicContact CD2-CB 3.91Å; W201-C233 HydrophobicContact CE3-CB 3.88Å; W201-C233 HydrophobicContact CH2-CB 4.16Å; W201-C233 HydrophobicContact CZ2-CB 4.18Å; W201-C233 HydrophobicContact CZ3-CB 4.01Å; C233-S243 CarbonylContact O-C 3.54Å; C233-S243 WeakPolarHBondContact O-CA 3.49Å; C233-S244 PolarHBondContact N-OG 2.98Å; C233-S244 PolarHBondContact O-N 3.34Å; C233-S244 PolarHBondContact O-OG 3.35Å |
| 234 | I | 98.4 | Very high | 96.7 | Very high | 37 Ų | 37 | 43.8 Ų | 43.8 | 19% | 0.19 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 121.5 | 166.9 | -55.1 | -172 | 0 | 0 | 0 | 107.4 | Y199 V200 Y202 Y232 Q242 | Y199-I234 CarbonylContact C-O 3.49Å; Y199-I234 VanDerWaalsContact CA-O 3.3Å; Y199-I234 WeakPolarHBondContact CA-O 3.35Å; V200-I234 PolarHBondContact N-O 3.34Å; V200-I234 PolarHBondContact O-N 2.9Å; Y202-I234 HydrophobicContact CD2-CD1 4.24Å; Y202-I234 HydrophobicContact CD2-CG1 4.19Å; Y202-I234 HydrophobicContact CE2-CD1 3.63Å; Y202-I234 HydrophobicContact CE2-CG1 3.91Å; Y232-I234 HydrophobicContact CD2-CG1 4.36Å; Y232-I234 HydrophobicContact CE2-CD1 4.29Å; Y232-I234 HydrophobicContact CE2-CG1 4.1Å; I234-Q242 WeakPolarHBondContact CA-O 3.49Å |
| 235 | A | 98.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 140.4 | 170.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | P165 T168 P196 Y199 S241 Q242 | P165-A235 HydrophobicContact CB-CB 4.22Å; P165-A235 HydrophobicContact CG-CB 4.44Å; T168-A235 HydrophobicContact CG2-CB 3.99Å; P196-A235 HydrophobicContact CB-CB 4.17Å; P196-A235 HydrophobicContact CG-CB 4.24Å; Y199-A235 HydrophobicContact CD1-CB 4.02Å; Y199-A235 HydrophobicContact CE1-CB 3.82Å; A235-S241 CarbonylContact O-C 3.55Å; A235-S241 WeakPolarHBondContact O-CA 3.46Å; A235-S241 WeakPolarHBondContact O-CB 3.16Å; A235-Q242 PolarHBondContact N-O 3.4Å; A235-Q242 PolarHBondContact O-N 2.82Å |
| 236 | S | 98.3 | Very high | 96.9 | Very high | 19 Ų | 19 | 53.1 Ų | 53.1 | 13% | 0.133 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 141.6 | -178 | 53.9 | 0 | 0 | 0 | 0 | 112.4 | P196 S197 R198 G240 | P196-S236 CarbonylContact C-O 3.36Å; P196-S236 VanDerWaalsContact CA-O 3.3Å; P196-S236 WeakPolarHBondContact CA-O 3.46Å; S197-S236 PolarHBondContact N-O 3.16Å; R198-S236 WeakPolarHBondContact CB-OG 3.3Å; R198-S236 PolarHBondContact N-O 3.45Å; R198-S236 PolarHBondContact O-N 3.35Å; R198-S236 PolarHBondContact O-OG 3.39Å; S236-G240 WeakPolarHBondContact CA-O 3.19Å |
| 237 | N | 97.8 | Very high | 97.1 | Very high | 14 Ų | 14 | 48.5 Ų | 48.5 | 8% | 0.075 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | -175.2 | 166.6 | 73.8 | 3.9 | 0 | 0 | 0 | 108.9 | Y163 P194 L239 G240 | Y163-N237 PolarHBondContact O-ND2 3.48Å; P194-N237 PolarHBondContact O-ND2 2.91Å; N237-L239 PolarHBondContact O-N 2.9Å; N237-L239 VanDerWaalsContact O-N 3.09Å; N237-L239 WeakPolarHBondContact OD1-CA 3.36Å; N237-L239 WeakPolarHBondContact OD1-CB 3.26Å; N237-L239 PolarHBondContact OD1-N 2.71Å; N237-G240 PolarHBondContact N-O 3.45Å; N237-G240 PolarHBondContact O-N 2.79Å; N237-G240 VanDerWaalsContact O-O 3.1Å; N237-G240 PolarHBondContact OD1-N 2.78Å |
| 238 | R | 96.6 | Very high | 97.1 | Very high | 142 Ų | 142 | 50 Ų | 50 | 54% | 0.536 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -15.1 | 179.9 | 67.2 | 177.7 | 170.2 | 110.4 | -3.1 | 115.2 | E87 | E87-R238 IonicContact OE1-CZ 3.55Å; E87-R238 IonicContact OE1-NH2 3.27Å; E87-R238 PolarHBondContact OE1-NH2 3.45Å; E87-R238 IonicContact OE2-CZ 2.79Å; E87-R238 IonicContact OE2-NH1 3Å; E87-R238 PolarHBondContact OE2-NH1 2.85Å; E87-R238 IonicContact OE2-NH2 3.64Å; E87-R238 PolarHBondContact OE2-NH2 3.34Å |
| 239 | L | 96.1 | Very high | 97.2 | Very high | 71 Ų | 71 | 48.7 Ų | 48.7 | 37% | 0.372 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.6 | -14.7 | -177.3 | -58.7 | 176.1 | 0 | 0 | 0 | 112.8 | Y163 N237 | Y163-L239 VanDerWaalsContact N-CD1 3.31Å; N237-L239 PolarHBondContact O-N 2.9Å; N237-L239 VanDerWaalsContact O-N 3.09Å; N237-L239 WeakPolarHBondContact OD1-CA 3.36Å; N237-L239 WeakPolarHBondContact OD1-CB 3.26Å; N237-L239 PolarHBondContact OD1-N 2.71Å |
| 240 | G | 96.9 | Very high | 97.2 | Very high | 30 Ų | 30 | 50.1 Ų | 50.1 | 31% | 0.309 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 153.1 | -162.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | P165 S236 N237 | P165-G240 WeakPolarHBondContact CD-O 3.21Å; S236-G240 WeakPolarHBondContact CA-O 3.19Å; N237-G240 PolarHBondContact N-O 3.45Å; N237-G240 PolarHBondContact O-N 2.79Å; N237-G240 VanDerWaalsContact O-O 3.1Å; N237-G240 PolarHBondContact OD1-N 2.78Å |
| 241 | S | 97.9 | Very high | 97.2 | Very high | 74 Ų | 74 | 45.9 Ų | 45.9 | 52% | 0.517 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 157 | -177.1 | 61.4 | 0 | 0 | 0 | 0 | 112 | A235 | A235-S241 CarbonylContact O-C 3.55Å; A235-S241 WeakPolarHBondContact O-CA 3.46Å; A235-S241 WeakPolarHBondContact O-CB 3.16Å |
| 242 | Q | 98.2 | Very high | 97.1 | Very high | 67 Ų | 67 | 46 Ų | 46 | 31% | 0.313 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 138.4 | 169.3 | -178 | -179.3 | 57 | 0 | 0 | 110.1 | P165 T168 I234 A235 | P165-Q242 HydrophobicContact CB-CB 4.19Å; P165-Q242 VanDerWaalsContact O-CB 3.23Å; P165-Q242 WeakPolarHBondContact O-CB 3.29Å; T168-Q242 WeakPolarHBondContact OG1-CB 3.29Å; T168-Q242 PolarHBondContact OG1-O 2.8Å; T168-Q242 PolarHBondContact OG1-OE1 3.17Å; T168-Q242 VanDerWaalsContact OG1-OE1 3.1Å; I234-Q242 WeakPolarHBondContact CA-O 3.49Å; A235-Q242 PolarHBondContact N-O 3.4Å; A235-Q242 PolarHBondContact O-N 2.82Å |
| 243 | S | 98.2 | Very high | 97 | Very high | 64 Ų | 64 | 45.8 Ų | 45.8 | 45% | 0.448 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 140.5 | 172.6 | -52.7 | 0 | 0 | 0 | 0 | 110.3 | C233 | C233-S243 CarbonylContact O-C 3.54Å; C233-S243 WeakPolarHBondContact O-CA 3.49Å |
| 244 | S | 98.3 | Very high | 97 | Very high | 10 Ų | 10 | 48 Ų | 48 | 7% | 0.07 | 28% | 0.276 | C | S | . | . | P | Polyproline II helix | trans | -68.8 | 162.8 | 168.8 | 73.5 | 0 | 0 | 0 | 0 | 111.6 | T168 V170 Y232 C233 | T168-S244 WeakPolarHBondContact O-CA 3.32Å; V170-S244 WeakPolarHBondContact CG2-OG 3.33Å; Y232-S244 WeakPolarHBondContact CA-OG 3.46Å; Y232-S244 WeakPolarHBondContact CB-OG 3.05Å; C233-S244 PolarHBondContact N-OG 2.98Å; C233-S244 PolarHBondContact O-N 3.34Å; C233-S244 PolarHBondContact O-OG 3.35Å |
| 245 | L | 96.7 | Very high | 96.9 | Very high | 149 Ų | 149 | 46.4 Ų | 46.4 | 78% | 0.78 | 27% | 0.268 | S | S | * | . | P | Polyproline II helix | trans | -59.8 | 155.1 | 157.3 | -62.1 | 177.8 | 0 | 0 | 0 | 110.4 | S247 | L245-S247 PolarHBondContact O-N 2.62Š|
| 246 | V | 96.6 | Very high | 96.8 | Very high | 75 Ų | 75 | 48.9 Ų | 48.9 | 46% | 0.455 | 28% | 0.278 | S | S | . | . | P | Polyproline II helix | trans | -69.9 | 128.6 | 176.3 | 177.8 | 0 | 0 | 0 | 0 | 109.5 | I204 Q230 | I204-V246 HydrophobicContact CD1-CG1 4.22Å; I204-V246 HydrophobicContact CD1-CG2 3.88Å; Q230-V246 HydrophobicContact CB-CG1 3.59Å; Q230-V246 HydrophobicContact CG-CG1 3.8Å |
| 247 | S | 95.8 | Very high | 96.7 | Very high | 27 Ų | 27 | 53 Ų | 53 | 19% | 0.189 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 132.9 | 176 | -176.1 | 0 | 0 | 0 | 0 | 110.5 | Y231 L245 | Y231-S247 PolarHBondContact N-O 2.77Å; Y231-S247 PolarHBondContact O-N 3.23Å; L245-S247 PolarHBondContact O-N 2.62Å |
| 248 | S | 94.7 | Very high | 96.7 | Very high | 77 Ų | 77 | 52.5 Ų | 52.5 | 54% | 0.538 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 117.7 | -179.6 | -66.9 | 0 | 0 | 0 | 0 | 110.8 | ||
| 249 | L | 95.6 | Very high | 96.7 | Very high | 4 Ų | 4 | 48.1 Ų | 48.1 | 2% | 0.021 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 113.6 | 168.3 | 177 | 59.6 | 0 | 0 | 0 | 109.3 | T172 I178 V184 F220 V223 A228 G229 Y231 V251 | T172-L249 HydrophobicContact CG2-CD1 4.48Å; I178-L249 HydrophobicContact CD1-CD1 3.62Å; V184-L249 HydrophobicContact CG1-CD1 4.03Å; F220-L249 HydrophobicContact CD2-CD2 4.26Å; F220-L249 HydrophobicContact CE2-CD2 3.98Å; V223-L249 HydrophobicContact CG2-CD2 4.36Å; A228-L249 CarbonylContact C-O 3.52Å; A228-L249 VanDerWaalsContact CA-O 3.22Å; A228-L249 WeakPolarHBondContact CA-O 3.24Å; G229-L249 PolarHBondContact N-O 2.88Å; G229-L249 PolarHBondContact O-N 3.11Å; Y231-L249 HydrophobicContact CD2-CB 3.97Å; Y231-L249 HydrophobicContact CE2-CB 3.86Å; Y231-L249 HydrophobicContact CE2-CD2 4.09Å; L249-V251 HydrophobicContact CG-CG2 4.3Å |
| 250 | T | 94.8 | Very high | 96.8 | Very high | 58 Ų | 58 | 46.1 Ų | 46.1 | 36% | 0.356 | 28% | 0.277 | S | S | . | . | trans | -103.1 | 131.8 | 176.7 | -60.6 | 0 | 0 | 0 | 0 | 109.7 | L252 Y283 | T250-L252 HydrophobicContact CG2-CD2 4.22Å; T250-Y283 HydrophobicContact CG2-CD1 3.85Å; T250-Y283 HydrophobicContact CG2-CE1 3.07Å | ||
| 251 | V | 96.6 | Very high | 96.8 | Very high | 2 Ų | 2 | 48.9 Ų | 48.9 | 1% | 0.012 | 28% | 0.284 | C | S | . | . | trans | -123 | 123.5 | 179.9 | -176.8 | 0 | 0 | 0 | 0 | 109 | I178 E180 V223 A228 L249 Y253 | I178-V251 HydrophobicContact CG2-CG2 4.41Å; E180-V251 HydrophobicContact CB-CG1 4.23Å; V223-V251 HydrophobicContact CG1-CG1 3.99Å; V223-V251 HydrophobicContact CG1-CG2 4.26Å; V223-V251 HydrophobicContact CG2-CG1 4.47Å; V223-V251 HydrophobicContact CG2-CG2 3.56Å; A228-V251 HydrophobicContact CB-CB 4.19Å; A228-V251 HydrophobicContact CB-CG2 3.99Å; L249-V251 HydrophobicContact CG-CG2 4.3Å; V251-Y253 WeakPolarHBondContact O-CD1 3.29Å | ||
| 252 | L | 96.6 | Very high | 96.8 | Very high | 4 Ų | 4 | 46 Ų | 46 | 2% | 0.021 | 27% | 0.265 | C | S | . | . | B | Isolated β-bridge | trans | -90.6 | 132.2 | 180 | -48.6 | -177.7 | 0 | 0 | 0 | 110.6 | D177 I178 R179 E180 T250 Y283 I333 | D177-L252 HydrophobicContact CB-CD1 3.52Å; D177-L252 VanDerWaalsContact CG-CD1 3.45Å; D177-L252 VanDerWaalsContact OD2-CD1 3.31Å; D177-L252 WeakPolarHBondContact OD2-CD1 3.4Å; I178-L252 WeakPolarHBondContact O-CB 3.45Å; I178-L252 WeakPolarHBondContact O-CG 3.14Å; I178-L252 PolarHBondContact O-N 2.77Å; R179-L252 CarbonylContact C-O 3.48Å; R179-L252 WeakPolarHBondContact CA-O 3.49Å; R179-L252 HydrophobicContact CG-CB 4.42Å; E180-L252 PolarHBondContact N-O 3.15Å; T250-L252 HydrophobicContact CG2-CD2 4.22Å; L252-Y283 CarbonylContact C-O 3.54Å; L252-Y283 VanDerWaalsContact CA-O 3.25Å; L252-Y283 WeakPolarHBondContact CA-O 3.36Å; L252-Y283 HydrophobicContact CD2-CD1 3.46Å; L252-Y283 VanDerWaalsContact CD2-CD1 3.46Å; L252-Y283 HydrophobicContact CD2-CE1 3.49Å; L252-Y283 VanDerWaalsContact CD2-CE1 3.49Å; L252-I333 HydrophobicContact CB-CD1 4.01Å; L252-I333 HydrophobicContact CB-CG1 4.17Å; L252-I333 HydrophobicContact CD1-CD1 4.03Å |
| 253 | Y | 96.9 | Very high | 96.7 | Very high | 37 Ų | 37 | 50.6 Ų | 50.6 | 15% | 0.145 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 148.8 | 178 | 55.5 | -85 | 0 | 0 | 0 | 110.9 | E180 A225 V251 K256 A282 Y283 N331 | E180-Y253 WeakPolarHBondContact OE2-CB 3.31Å; A225-Y253 HydrophobicContact CB-CD1 3.74Å; A225-Y253 HydrophobicContact CB-CE1 3.49Å; A225-Y253 VanDerWaalsContact CB-CE1 3.49Å; A225-Y253 HydrophobicContact CB-CE2 4.43Å; A225-Y253 HydrophobicContact CB-CG 4.33Å; V251-Y253 WeakPolarHBondContact O-CD1 3.29Å; Y253-K256 HydrophobicContact CD2-CD 4.07Å; Y253-K256 HydrophobicContact CD2-CG 4.21Å; Y253-K256 HydrophobicContact CE2-CD 4.36Å; Y253-K256 HydrophobicContact CE2-CG 4.28Å; Y253-A282 VanDerWaalsContact CE2-CA 3.45Å; Y253-Y283 VanDerWaalsContact CE1-CB 3.42Å; Y253-Y283 PolarHBondContact N-O 2.59Å; Y253-Y283 PolarHBondContact O-N 3.06Å; Y253-N331 PolarHBondContact O-ND2 3.44Å |
| 254 | P | 97 | Very high | 96.4 | Very high | 48 Ų | 48 | 52.6 Ų | 52.6 | 31% | 0.312 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 165.1 | 173.9 | 31.8 | -36.1 | 0 | 0 | 0 | 110.2 | K256 I333 | P254-K256 PolarHBondContact O-N 3.17Å; P254-I333 HydrophobicContact CB-CB 4.44Å; P254-I333 HydrophobicContact CB-CG2 4.28Å |
| 255 | P | 97.6 | Very high | 96.2 | Very high | 3 Ų | 3 | 54.5 Ų | 54.5 | 2% | 0.019 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.3 | 140.5 | 174.4 | -23.4 | 36.8 | 0 | 0 | 0 | 110.6 | S280 Q281 A282 V286 A329 N331 G334 H336 | P255-S280 VanDerWaalsContact CB-OG 3.29Å; P255-S280 WeakPolarHBondContact CB-OG 3.4Å; P255-Q281 CarbonylContact C-O 3.51Å; P255-Q281 WeakPolarHBondContact CA-O 3.29Å; P255-A282 HydrophobicContact CB-CB 4.1Å; P255-A282 HydrophobicContact CG-CB 3.96Å; P255-V286 HydrophobicContact CB-CG2 4.37Å; P255-V286 HydrophobicContact CG-CG2 4.22Å; P255-A329 HydrophobicContact CB-CB 3.86Å; P255-A329 HydrophobicContact CG-CB 4.29Å; P255-A329 WeakPolarHBondContact CG-O 3.21Å; P255-N331 WeakPolarHBondContact CD-OD1 3.41Å; P255-N331 HydrophobicContact CG-CB 4.29Å; P255-G334 VanDerWaalsContact CD-O 3.23Å; P255-G334 WeakPolarHBondContact CD-O 3.48Å; P255-H336 HydrophobicContact CB-CB 4.2Å; P255-H336 WeakPolarHBondContact O-CB 3.4Å |
| 256 | K | 95.6 | Very high | 96 | Very high | 51 Ų | 51 | 49.4 Ų | 49.4 | 22% | 0.222 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 160.6 | 177.3 | 62 | -175.4 | 172.5 | -165 | 0 | 110.3 | E180 Y253 P254 T258 S280 Q281 | E180-K256 IonicContact OE1-NZ 3.19Å; E180-K256 PolarHBondContact OE1-NZ 3.1Å; E180-K256 IonicContact OE2-NZ 2.88Å; E180-K256 PolarHBondContact OE2-NZ 2.83Å; Y253-K256 HydrophobicContact CD2-CD 4.07Å; Y253-K256 HydrophobicContact CD2-CG 4.21Å; Y253-K256 HydrophobicContact CE2-CD 4.36Å; Y253-K256 HydrophobicContact CE2-CG 4.28Å; P254-K256 PolarHBondContact O-N 3.17Å; K256-T258 PolarHBondContact O-N 2.83Å; K256-S280 PolarHBondContact N-OG 3.28Å; K256-S280 PolarHBondContact O-OG 2.95Å; K256-Q281 HydrophobicContact CG-CB 4.29Å; K256-Q281 PolarHBondContact N-O 2.79Å; K256-Q281 PolarHBondContact O-N 2.89Å |
| 257 | N | 95.8 | Very high | 95.9 | Very high | 105 Ų | 105 | 47.8 Ų | 47.8 | 56% | 0.561 | 27% | 0.271 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 55.5 | 36.7 | -173.9 | -58.6 | -33.2 | 0 | 0 | 0 | 112.3 | S259 Q281 | N257-S259 PolarHBondContact O-N 2.99Å; N257-Q281 PolarHBondContact ND2-OE1 2.97Å |
| 258 | T | 97.6 | Very high | 95.8 | Very high | 4 Ų | 4 | 46.8 Ų | 46.8 | 3% | 0.025 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.1 | 128 | 175.4 | -50.4 | 0 | 0 | 0 | 0 | 109.4 | K256 S279 S280 A329 H336 S338 P339 | K256-T258 PolarHBondContact O-N 2.83Å; T258-S279 CarbonylContact C-O 3.48Å; T258-S279 VanDerWaalsContact CA-O 3.24Å; T258-S279 WeakPolarHBondContact CA-O 3.38Å; T258-S280 WeakPolarHBondContact OG1-CB 3.42Å; T258-S280 PolarHBondContact OG1-OG 3.34Å; T258-A329 HydrophobicContact CG2-CB 4.04Å; T258-H336 VanDerWaalsContact CB-ND1 3.35Å; T258-H336 WeakPolarHBondContact CB-ND1 3.33Å; T258-H336 PolarHBondContact N-ND1 2.82Å; T258-H336 PolarHBondContact OG1-ND1 3.49Å; T258-H336 PolarHBondContact OG1-O 3.35Å; T258-S338 WeakPolarHBondContact O-CA 2.97Å; T258-P339 WeakPolarHBondContact O-CD 3.39Å |
| 259 | S | 97.4 | Very high | 95.7 | Very high | 50 Ų | 50 | 46.9 Ų | 46.9 | 35% | 0.35 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 153.1 | -175.9 | 62.3 | 0 | 0 | 0 | 0 | 111.7 | N257 C278 S279 | N257-S259 PolarHBondContact O-N 2.99Å; S259-C278 WeakPolarHBondContact O-CA 3.45Å; S259-S279 PolarHBondContact N-O 2.96Å; S259-S279 PolarHBondContact O-N 2.75Å; S259-S279 PolarHBondContact OG-OG 3.18Å |
| 260 | I | 97.8 | Very high | 95.6 | Very high | 30 Ų | 30 | 47.4 Ų | 47.4 | 15% | 0.154 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 130.1 | 175.5 | -61.1 | 165.4 | 0 | 0 | 0 | 109.4 | L276 T277 W291 C327 S338 L341 | I260-L276 HydrophobicContact CG2-CB 4.29Å; I260-L276 HydrophobicContact CG2-CD2 4.5Å; I260-T277 CarbonylContact C-O 3.6Å; I260-T277 WeakPolarHBondContact CA-O 3.36Å; I260-W291 HydrophobicContact CB-CH2 4.43Å; I260-W291 HydrophobicContact CB-CZ3 4.48Å; I260-W291 HydrophobicContact CD1-CH2 4.37Å; I260-W291 HydrophobicContact CD1-CZ3 3.68Å; I260-W291 HydrophobicContact CG1-CH2 3.93Å; I260-W291 HydrophobicContact CG1-CZ3 3.75Å; I260-W291 HydrophobicContact CG2-CH2 3.76Å; I260-W291 HydrophobicContact CG2-CZ3 3.89Å; I260-C327 HydrophobicContact CD1-CB 4.49Å; I260-C327 HydrophobicContact CG1-CB 4.31Å; I260-C327 VanDerWaalsContact CG1-SG 3.54Å; I260-S338 WeakPolarHBondContact CD1-OG 3.18Å; I260-S338 WeakPolarHBondContact CG1-OG 3.43Å; I260-L341 HydrophobicContact CB-CD2 4.33Å; I260-L341 HydrophobicContact CD1-CB 3.97Å; I260-L341 HydrophobicContact CG2-CD2 3.54Å |
| 261 | L | 97.6 | Very high | 95.4 | Very high | 87 Ų | 87 | 45.7 Ų | 45.7 | 46% | 0.455 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 120.3 | 167.5 | -178.3 | 65.5 | 0 | 0 | 0 | 109.8 | R263 L276 T277 | L261-R263 HydrophobicContact CD2-CG 4.44Å; L261-R263 HydrophobicContact CG-CG 4.33Å; L261-L276 WeakPolarHBondContact O-CA 3.43Å; L261-T277 PolarHBondContact N-O 2.86Å; L261-T277 PolarHBondContact O-N 3.49Å |
| 262 | A | 96.7 | Very high | 95.2 | Very high | 15 Ų | 15 | 52.9 Ų | 52.9 | 12% | 0.124 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 129.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | L274 T275 L276 L341 | A262-L274 HydrophobicContact CB-CD1 4.27Å; A262-T275 CarbonylContact C-O 3.56Å; A262-T275 WeakPolarHBondContact CA-O 3.36Å; A262-L276 HydrophobicContact CB-CD2 3.63Å; A262-L341 HydrophobicContact CB-CD2 3.99Å |
| 263 | R | 96.3 | Very high | 95.1 | Very high | 162 Ų | 162 | 56.4 Ų | 56.4 | 61% | 0.611 | 31% | 0.308 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124 | 128.9 | 176.1 | -69.6 | -176 | 173.4 | -167.9 | -1.7 | 110.4 | L261 T275 | L261-R263 HydrophobicContact CD2-CG 4.44Å; L261-R263 HydrophobicContact CG-CG 4.33Å; R263-T275 PolarHBondContact N-O 2.82Å; R263-T275 PolarHBondContact O-N 2.97Å |
| 264 | P | 92.4 | Very high | 95 | Very high | 107 Ų | 107 | 54.7 Ų | 54.7 | 70% | 0.695 | 30% | 0.301 | S | S | * | . | S | Bend | cis | -76.1 | -28.8 | 4.3 | 29.8 | -34.6 | 0 | 0 | 0 | 114.2 | ||
| 265 | S | 94.4 | Very high | 95 | Very high | 50 Ų | 50 | 54.4 Ų | 54.4 | 35% | 0.35 | 30% | 0.299 | S | S | . | . | trans | -158.2 | 175.2 | 172.1 | 93.3 | 0 | 0 | 0 | 0 | 110.1 | V267 V268 L274 | S265-V267 PolarHBondContact O-N 2.9Å; S265-V267 PolarHBondContact OG-N 2.82Å; S265-V267 PolarHBondContact OG-O 2.91Å; S265-V268 WeakPolarHBondContact O-CG2 3.35Å; S265-L274 WeakPolarHBondContact O-CD1 3.47Å | ||
| 266 | S | 92.8 | Very high | 95 | Very high | 41 Ų | 41 | 54.3 Ų | 54.3 | 29% | 0.287 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -75.7 | -7.6 | 172.7 | 57.4 | 0 | 0 | 0 | 0 | 113.8 | V343 R344 | S266-V343 WeakPolarHBondContact O-CA 3.47Å; S266-R344 PolarHBondContact O-N 2.84Å |
| 267 | V | 94.4 | Very high | 95.1 | Very high | 41 Ų | 41 | 53.9 Ų | 53.9 | 25% | 0.248 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 114 | 174.1 | -172.7 | 0 | 0 | 0 | 0 | 108.9 | S265 R344 R346 | S265-V267 PolarHBondContact O-N 2.9Å; S265-V267 PolarHBondContact OG-N 2.82Å; S265-V267 PolarHBondContact OG-O 2.91Å; V267-R344 VanDerWaalsContact CA-O 3.31Å; V267-R344 WeakPolarHBondContact CA-O 3.17Å; V267-R344 HydrophobicContact CG1-CB 4.4Å; V267-R344 HydrophobicContact CG2-CB 4.36Å; V267-R346 HydrophobicContact CG1-CG 4.11Å |
| 268 | V | 93.8 | Very high | 95.2 | Very high | 6 Ų | 6 | 49.1 Ų | 49.1 | 4% | 0.036 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 140.1 | -170.2 | -176.9 | 0 | 0 | 0 | 0 | 110.1 | S265 R272 L274 V317 R344 V345 R346 | S265-V268 WeakPolarHBondContact O-CG2 3.35Å; V268-R272 HydrophobicContact CG1-CB 3.61Å; V268-L274 HydrophobicContact CG2-CB 4.41Å; V268-L274 HydrophobicContact CG2-CD1 3.94Å; V268-V317 HydrophobicContact CB-CG2 4Å; V268-V317 HydrophobicContact CG1-CG2 3.57Å; V268-R344 PolarHBondContact N-O 3.29Å; V268-V345 CarbonylContact O-C 3.52Å; V268-V345 WeakPolarHBondContact O-CA 3.25Å; V268-R346 PolarHBondContact O-N 3.43Å |
| 269 | D | 92.5 | Very high | 95.2 | Very high | 79 Ų | 79 | 51.8 Ų | 51.8 | 42% | 0.422 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 145.6 | 175 | -57.3 | -44.1 | 0 | 0 | 0 | 111.1 | G271 R272 R346 | D269-G271 PolarHBondContact O-N 2.85Å; D269-R272 HydrophobicContact CB-CG 4.26Å; D269-R272 VanDerWaalsContact O-CB 3.3Å; D269-R272 WeakPolarHBondContact O-CB 3.03Å; D269-R272 WeakPolarHBondContact O-CG 3.37Å; D269-R272 PolarHBondContact O-N 2.87Å; D269-R346 WeakPolarHBondContact OD1-CB 3.28Å; D269-R346 WeakPolarHBondContact OD1-CD 3.13Å |
| 270 | A | 92.8 | Very high | 95.2 | Very high | 15 Ų | 15 | 50.7 Ų | 50.7 | 12% | 0.124 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57 | 138.8 | -180 | 0 | 0 | 0 | 0 | 0 | 112 | V317 V345 R346 R348 | A270-V317 CarbonylContact C-O 3.57Å; A270-V317 VanDerWaalsContact CA-O 3.28Å; A270-V317 WeakPolarHBondContact CA-O 3.1Å; A270-V345 HydrophobicContact CB-CG1 3.98Å; A270-R346 WeakPolarHBondContact CB-O 3.24Å; A270-R346 PolarHBondContact N-O 2.94Å; A270-R348 HydrophobicContact CB-CG 4.4Å; A270-R348 PolarHBondContact O-NE 3.17Å; A270-R348 PolarHBondContact O-NH2 3.1Å |
| 271 | G | 90.3 | Very high | 95.1 | Very high | 23 Ų | 23 | 54.3 Ų | 54.3 | 24% | 0.237 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 76.3 | 17.5 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | D269 V317 | D269-G271 PolarHBondContact O-N 2.85Å; G271-V317 PolarHBondContact N-O 2.84Å |
| 272 | R | 92.9 | Very high | 95.1 | Very high | 153 Ų | 153 | 50.9 Ų | 50.9 | 58% | 0.577 | 29% | 0.286 | S | S | * | . | S | Bend | trans | -105.7 | 154.8 | 170.1 | -65.7 | -63.6 | -156.4 | 175.8 | 5.4 | 110.6 | V268 D269 V317 | V268-R272 HydrophobicContact CG1-CB 3.61Å; D269-R272 HydrophobicContact CB-CG 4.26Å; D269-R272 VanDerWaalsContact O-CB 3.3Å; D269-R272 WeakPolarHBondContact O-CB 3.03Å; D269-R272 WeakPolarHBondContact O-CG 3.37Å; D269-R272 PolarHBondContact O-N 2.87Å; R272-V317 WeakPolarHBondContact O-CG2 3.42Å; R272-V317 PolarHBondContact O-N 3.3Å |
| 273 | P | 95.1 | Very high | 95 | Very high | 78 Ų | 78 | 55.3 Ų | 55.3 | 51% | 0.506 | 30% | 0.3 | S | S | . | . | trans | -73.8 | 147.5 | 174.6 | 29.7 | -34.5 | 0 | 0 | 0 | 111.6 | F314 S315 | P273-F314 WeakPolarHBondContact CA-O 3.46Å; P273-S315 VanDerWaalsContact CA-O 3.31Å; P273-S315 WeakPolarHBondContact CA-O 3.38Å; P273-S315 WeakPolarHBondContact CB-O 3.39Å | ||
| 274 | L | 94.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 132.9 | 172.9 | 171 | 62.7 | 0 | 0 | 0 | 109.3 | A262 S265 V268 L276 F314 V317 V343 | A262-L274 HydrophobicContact CB-CD1 4.27Å; S265-L274 WeakPolarHBondContact O-CD1 3.47Å; V268-L274 HydrophobicContact CG2-CB 4.41Å; V268-L274 HydrophobicContact CG2-CD1 3.94Å; L274-L276 HydrophobicContact CD1-CD2 3.92Å; L274-L276 HydrophobicContact CD2-CD2 4.22Å; L274-L276 HydrophobicContact CG-CD2 4.12Å; L274-L276 HydrophobicContact CG-CG 4.43Å; L274-F314 HydrophobicContact CB-CB 4.35Å; L274-F314 HydrophobicContact CB-CD2 4.04Å; L274-F314 HydrophobicContact CD2-CD2 3.99Å; L274-F314 HydrophobicContact CD2-CE2 4.19Å; L274-F314 HydrophobicContact CG-CD2 4.01Å; L274-F314 PolarHBondContact N-O 2.03Å; L274-F314 PolarHBondContact O-N 2.89Å; L274-V317 HydrophobicContact CB-CG1 3.48Å; L274-V317 VanDerWaalsContact CB-CG1 3.48Å; L274-V317 HydrophobicContact CD2-CG1 4.03Å; L274-V317 HydrophobicContact CG-CG1 4.4Å; L274-V343 HydrophobicContact CD2-CG1 3.57Å; L274-V343 HydrophobicContact CD2-CG2 4.28Å |
| 275 | T | 96.9 | Very high | 95.3 | Very high | 43 Ų | 43 | 47.4 Ų | 47.4 | 26% | 0.264 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 121.9 | 173 | -56.7 | 0 | 0 | 0 | 0 | 110 | A262 R263 V311 T313 | A262-T275 CarbonylContact C-O 3.56Å; A262-T275 WeakPolarHBondContact CA-O 3.36Å; R263-T275 PolarHBondContact N-O 2.82Å; R263-T275 PolarHBondContact O-N 2.97Å; T275-V311 HydrophobicContact CG2-CG1 3.57Å; T275-T313 HydrophobicContact CG2-CG2 3.83Å |
| 276 | L | 96.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 125.2 | 170.4 | -52.1 | -179.5 | 0 | 0 | 0 | 108.6 | I260 L261 A262 L274 W291 V311 F312 F314 Y325 L341 V343 | I260-L276 HydrophobicContact CG2-CB 4.29Å; I260-L276 HydrophobicContact CG2-CD2 4.5Å; L261-L276 WeakPolarHBondContact O-CA 3.43Å; A262-L276 HydrophobicContact CB-CD2 3.63Å; L274-L276 HydrophobicContact CD1-CD2 3.92Å; L274-L276 HydrophobicContact CD2-CD2 4.22Å; L274-L276 HydrophobicContact CG-CD2 4.12Å; L274-L276 HydrophobicContact CG-CG 4.43Å; L276-W291 HydrophobicContact CB-CH2 3.46Å; L276-W291 VanDerWaalsContact CB-CH2 3.46Å; L276-W291 HydrophobicContact CB-CZ2 4.05Å; L276-W291 HydrophobicContact CB-CZ3 3.76Å; L276-W291 HydrophobicContact CD1-CZ3 4.11Å; L276-W291 WeakPolarHBondContact O-CZ2 3.32Å; L276-V311 WeakPolarHBondContact O-CA 3.48Å; L276-F312 HydrophobicContact CB-CB 4.32Å; L276-F312 HydrophobicContact CD1-CD1 4.5Å; L276-F312 PolarHBondContact N-O 2.97Å; L276-F312 PolarHBondContact O-N 3.22Å; L276-F314 HydrophobicContact CD1-CE2 4.08Å; L276-F314 HydrophobicContact CG-CE2 4.32Å; L276-Y325 HydrophobicContact CD1-CG 4.43Å; L276-L341 HydrophobicContact CD2-CD2 3.81Å; L276-V343 HydrophobicContact CD1-CG2 4.3Å; L276-V343 HydrophobicContact CD2-CG2 4.31Å |
| 277 | T | 97.9 | Very high | 95.6 | Very high | 43 Ų | 43 | 49.6 Ų | 49.6 | 26% | 0.264 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 126.5 | 178.1 | -54 | 0 | 0 | 0 | 0 | 109.1 | I260 L261 P310 V311 | I260-T277 CarbonylContact C-O 3.6Å; I260-T277 WeakPolarHBondContact CA-O 3.36Å; L261-T277 PolarHBondContact N-O 2.86Å; L261-T277 PolarHBondContact O-N 3.49Å; T277-P310 WeakPolarHBondContact CA-O 3.41Å; T277-V311 HydrophobicContact CG2-CG2 4.23Å |
| 278 | C | 97.4 | Very high | 95.6 | Very high | 5 Ų | 5 | 50.9 Ų | 50.9 | 3% | 0.034 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 134.6 | 175 | -171.7 | 0 | 0 | 0 | 0 | 109.5 | S259 F289 W291 P310 C327 | S259-C278 WeakPolarHBondContact O-CA 3.45Å; C278-F289 HydrophobicContact CB-CD1 3.88Å; C278-F289 HydrophobicContact CB-CE1 4.23Å; C278-F289 WeakPolarHBondContact SG-CD1 3.24Å; C278-W291 HydrophobicContact CB-CH2 3.96Å; C278-W291 HydrophobicContact CB-CZ2 3.59Å; C278-P310 PolarHBondContact N-O 3.38Å; C278-C327 HydrophobicContact CB-CB 3.61Å; C278-C327 WeakPolarHBondContact CB-SG 3.31Å; C278-C327 WeakPolarHBondContact SG-CB 3.5Å; C278-C327 CovalentContact SG-SG 2.03Å; C278-C327 PolarHBondContact SG-SG 2.6Å |
| 279 | S | 97.4 | Very high | 95.8 | Very high | 60 Ų | 60 | 52 Ų | 52 | 42% | 0.42 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 146 | 175.2 | 69.7 | 0 | 0 | 0 | 0 | 110.3 | T258 S259 | T258-S279 CarbonylContact C-O 3.48Å; T258-S279 VanDerWaalsContact CA-O 3.24Å; T258-S279 WeakPolarHBondContact CA-O 3.38Å; S259-S279 PolarHBondContact N-O 2.96Å; S259-S279 PolarHBondContact O-N 2.75Å; S259-S279 PolarHBondContact OG-OG 3.18Å |
| 280 | S | 97.2 | Very high | 96 | Very high | 26 Ų | 26 | 49.2 Ų | 49.2 | 18% | 0.182 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 149.4 | 178.6 | -165.1 | 0 | 0 | 0 | 0 | 110.3 | P255 K256 T258 | P255-S280 VanDerWaalsContact CB-OG 3.29Å; P255-S280 WeakPolarHBondContact CB-OG 3.4Å; K256-S280 PolarHBondContact N-OG 3.28Å; K256-S280 PolarHBondContact O-OG 2.95Å; T258-S280 WeakPolarHBondContact OG1-CB 3.42Å; T258-S280 PolarHBondContact OG1-OG 3.34Å |
| 281 | Q | 96.6 | Very high | 96.2 | Very high | 106 Ų | 106 | 48.5 Ų | 48.5 | 50% | 0.495 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 122 | 175.5 | -63.6 | 172.4 | 5 | 0 | 0 | 108.7 | P255 K256 N257 | P255-Q281 CarbonylContact C-O 3.51Å; P255-Q281 WeakPolarHBondContact CA-O 3.29Å; K256-Q281 HydrophobicContact CG-CB 4.29Å; K256-Q281 PolarHBondContact N-O 2.79Å; K256-Q281 PolarHBondContact O-N 2.89Å; N257-Q281 PolarHBondContact ND2-OE1 2.97Å |
| 282 | A | 96.9 | Very high | 96.4 | Very high | 16 Ų | 16 | 48.3 Ų | 48.3 | 13% | 0.132 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 148.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | Y253 P255 P284 V286 | Y253-A282 VanDerWaalsContact CE2-CA 3.45Å; P255-A282 HydrophobicContact CB-CB 4.1Å; P255-A282 HydrophobicContact CG-CB 3.96Å; A282-P284 CarbonylContact C-O 3.51Å; A282-P284 VanDerWaalsContact C-O 3.25Å; A282-P284 WeakPolarHBondContact CB-O 3.41Å; A282-V286 HydrophobicContact CB-CG2 3.79Å |
| 283 | Y | 96.3 | Very high | 96.4 | Very high | 108 Ų | 108 | 43.9 Ų | 43.9 | 42% | 0.424 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 118.8 | 163.7 | -167.8 | -85 | 0 | 0 | 0 | 110.4 | T250 L252 Y253 | T250-Y283 HydrophobicContact CG2-CD1 3.85Å; T250-Y283 HydrophobicContact CG2-CE1 3.07Å; L252-Y283 CarbonylContact C-O 3.54Å; L252-Y283 VanDerWaalsContact CA-O 3.25Å; L252-Y283 WeakPolarHBondContact CA-O 3.36Å; L252-Y283 HydrophobicContact CD2-CD1 3.46Å; L252-Y283 VanDerWaalsContact CD2-CD1 3.46Å; L252-Y283 HydrophobicContact CD2-CE1 3.49Å; L252-Y283 VanDerWaalsContact CD2-CE1 3.49Å; Y253-Y283 VanDerWaalsContact CE1-CB 3.42Å; Y253-Y283 PolarHBondContact N-O 2.59Å; Y253-Y283 PolarHBondContact O-N 3.06Å |
| 284 | P | 96.4 | Very high | 96.2 | Very high | 29 Ų | 29 | 41.4 Ų | 41.4 | 19% | 0.188 | 23% | 0.23 | C | C | . | . | S | Bend | cis | -62 | 166.7 | -0.6 | -15.2 | 29.1 | 0 | 0 | 0 | 112.5 | A282 N331 R332 | A282-P284 CarbonylContact C-O 3.51Å; A282-P284 VanDerWaalsContact C-O 3.25Å; A282-P284 WeakPolarHBondContact CB-O 3.41Å; P284-N331 PolarHBondContact O-ND2 3.34Å; P284-R332 HydrophobicContact CG-CG 4.11Å |
| 285 | A | 96.6 | Very high | 95.6 | Very high | 73 Ų | 73 | 43.1 Ų | 43.1 | 60% | 0.603 | 24% | 0.244 | S | C | * | . | P | Polyproline II helix | trans | -52 | 155 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | D287 | A285-D287 PolarHBondContact O-N 2.81Š|
| 286 | V | 97.6 | Very high | 94.6 | Very high | 30 Ų | 30 | 47.1 Ų | 47.1 | 18% | 0.182 | 26% | 0.263 | C | S | . | . | P | Polyproline II helix | trans | -59.9 | 127.4 | -179.7 | 179 | 0 | 0 | 0 | 0 | 109.8 | P255 A282 N288 F289 A329 R330 | P255-V286 HydrophobicContact CB-CG2 4.37Å; P255-V286 HydrophobicContact CG-CG2 4.22Å; A282-V286 HydrophobicContact CB-CG2 3.79Å; V286-N288 VanDerWaalsContact CG1-O 3.25Å; V286-N288 WeakPolarHBondContact CG1-O 3.42Å; V286-F289 HydrophobicContact CB-CE2 3.86Å; V286-F289 HydrophobicContact CB-CZ 3.83Å; V286-F289 HydrophobicContact CG1-CD1 4.22Å; V286-F289 HydrophobicContact CG1-CD2 3.87Å; V286-F289 HydrophobicContact CG1-CE1 3.99Å; V286-F289 HydrophobicContact CG1-CE2 3.59Å; V286-F289 HydrophobicContact CG1-CG 4.19Å; V286-F289 HydrophobicContact CG1-CZ 3.67Å; V286-F289 HydrophobicContact CG2-CE1 4.39Å; V286-F289 HydrophobicContact CG2-CE2 4.45Å; V286-F289 HydrophobicContact CG2-CZ 3.91Å; V286-A329 HydrophobicContact CG1-CB 3.99Å; V286-A329 HydrophobicContact CG2-CB 4.18Å; V286-R330 WeakPolarHBondContact CG1-O 3.29Å |
| 287 | D | 96.1 | Very high | 93.4 | Very high | 107 Ų | 107 | 52.5 Ų | 52.5 | 57% | 0.572 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -80.5 | -38.6 | 179.8 | -60.6 | -41.4 | 0 | 0 | 0 | 110.5 | A285 R330 N331 R332 | A285-D287 PolarHBondContact O-N 2.81Å; D287-R330 PolarHBondContact N-O 3.29Å; D287-N331 VanDerWaalsContact OD2-C 3.24Å; D287-N331 WeakPolarHBondContact OD2-CA 3.29Å; D287-R332 PolarHBondContact OD2-N 2.92Å |
| 288 | N | 95.8 | Very high | 91.9 | Very high | 68 Ų | 68 | 54.5 Ų | 54.5 | 36% | 0.364 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 145.6 | 178.8 | 66.9 | -53.7 | 0 | 0 | 0 | 113.5 | V286 R330 | V286-N288 VanDerWaalsContact CG1-O 3.25Å; V286-N288 WeakPolarHBondContact CG1-O 3.42Å; N288-R330 PolarHBondContact N-O 2.82Å; N288-R330 PolarHBondContact O-N 3Å; N288-R330 VanDerWaalsContact OD1-CB 3.3Å; N288-R330 WeakPolarHBondContact OD1-CB 3.22Å |
| 289 | F | 97.2 | Very high | 90.7 | Very high | 30 Ų | 30 | 57.8 Ų | 57.8 | 13% | 0.132 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 134.3 | 168.5 | -68.6 | -85.1 | 0 | 0 | 0 | 109.6 | C278 V286 S308 G309 P310 E328 A329 | C278-F289 HydrophobicContact CB-CD1 3.88Å; C278-F289 HydrophobicContact CB-CE1 4.23Å; C278-F289 WeakPolarHBondContact SG-CD1 3.24Å; V286-F289 HydrophobicContact CB-CE2 3.86Å; V286-F289 HydrophobicContact CB-CZ 3.83Å; V286-F289 HydrophobicContact CG1-CD1 4.22Å; V286-F289 HydrophobicContact CG1-CD2 3.87Å; V286-F289 HydrophobicContact CG1-CE1 3.99Å; V286-F289 HydrophobicContact CG1-CE2 3.59Å; V286-F289 HydrophobicContact CG1-CG 4.19Å; V286-F289 HydrophobicContact CG1-CZ 3.67Å; V286-F289 HydrophobicContact CG2-CE1 4.39Å; V286-F289 HydrophobicContact CG2-CE2 4.45Å; V286-F289 HydrophobicContact CG2-CZ 3.91Å; F289-S308 WeakPolarHBondContact O-CA 2.95Å; F289-G309 PolarHBondContact O-N 3.07Å; F289-P310 HydrophobicContact CD2-CB 3.77Å; F289-P310 HydrophobicContact CE2-CB 3.99Å; F289-P310 HydrophobicContact CG-CB 4.39Å; F289-E328 CarbonylContact C-O 3.6Å; F289-E328 WeakPolarHBondContact CA-O 3.44Å; F289-A329 HydrophobicContact CD1-CB 3.71Å; F289-A329 HydrophobicContact CE1-CB 3.54Å; F289-A329 HydrophobicContact CZ-CB 4.47Å |
| 290 | T | 97.1 | Very high | 89.6 | Confident | 21 Ų | 21 | 58.6 Ų | 58.6 | 13% | 0.129 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 128.7 | 176.4 | 47.9 | 0 | 0 | 0 | 0 | 110.4 | C327 E328 | T290-C327 CarbonylContact O-C 3.57Å; T290-C327 VanDerWaalsContact O-CA 3.31Å; T290-C327 WeakPolarHBondContact O-CA 3.47Å; T290-E328 PolarHBondContact N-O 3Å; T290-E328 PolarHBondContact O-N 2.88Å; T290-E328 PolarHBondContact OG1-O 2.81Å |
| 291 | W | 96.9 | Very high | 88.8 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 129.4 | 176.3 | -68.9 | 88.2 | 0 | 0 | 0 | 110.1 | I260 L276 C278 V305 T306 K307 G309 F312 C327 | I260-W291 HydrophobicContact CB-CH2 4.43Å; I260-W291 HydrophobicContact CB-CZ3 4.48Å; I260-W291 HydrophobicContact CD1-CH2 4.37Å; I260-W291 HydrophobicContact CD1-CZ3 3.68Å; I260-W291 HydrophobicContact CG1-CH2 3.93Å; I260-W291 HydrophobicContact CG1-CZ3 3.75Å; I260-W291 HydrophobicContact CG2-CH2 3.76Å; I260-W291 HydrophobicContact CG2-CZ3 3.89Å; L276-W291 HydrophobicContact CB-CH2 3.46Å; L276-W291 VanDerWaalsContact CB-CH2 3.46Å; L276-W291 HydrophobicContact CB-CZ2 4.05Å; L276-W291 HydrophobicContact CB-CZ3 3.76Å; L276-W291 HydrophobicContact CD1-CZ3 4.11Å; L276-W291 WeakPolarHBondContact O-CZ2 3.32Å; C278-W291 HydrophobicContact CB-CH2 3.96Å; C278-W291 HydrophobicContact CB-CZ2 3.59Å; W291-V305 WeakPolarHBondContact O-CA 3.47Å; W291-T306 WeakPolarHBondContact CB-OG1 3.11Å; W291-T306 PolarHBondContact O-N 2.85Å; W291-T306 PolarHBondContact O-OG1 2.74Å; W291-K307 HydrophobicContact CB-CB 4.37Å; W291-K307 WeakPolarHBondContact CB-O 3.17Å; W291-K307 PolarHBondContact N-O 2.85Å; W291-G309 PolarHBondContact NE1-O 2.9Å; W291-F312 HydrophobicContact CB-CD1 4.13Å; W291-F312 HydrophobicContact CD2-CB 3.94Å; W291-F312 HydrophobicContact CD2-CD1 4.14Å; W291-F312 HydrophobicContact CE3-CD1 4.44Å; W291-F312 HydrophobicContact CG-CB 4.1Å; W291-F312 AromaticContact CG-CD1 4Å; W291-F312 HydrophobicContact CG-CD1 4Å; W291-F312 HydrophobicContact CG-CG 4.45Å; W291-F312 HydrophobicContact CZ2-CB 4.21Å; W291-C327 HydrophobicContact CD2-CB 4.08Å; W291-C327 HydrophobicContact CE3-CB 3.92Å; W291-C327 HydrophobicContact CH2-CB 4.23Å; W291-C327 HydrophobicContact CZ2-CB 4.39Å; W291-C327 HydrophobicContact CZ3-CB 4Å |
| 292 | H | 95.1 | Very high | 88.2 | Confident | 19 Ų | 19 | 62.1 Ų | 62.1 | 9% | 0.088 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 139.7 | 178.4 | -65 | -85.7 | 0 | 0 | 0 | 109.6 | W304 Y325 Y326 E328 | H292-W304 WeakPolarHBondContact CA-O 3.41Å; H292-Y325 WeakPolarHBondContact O-CA 3.38Å; H292-Y326 HydrophobicContact CB-CD1 3.76Å; H292-Y326 HydrophobicContact CB-CD2 4.19Å; H292-Y326 HydrophobicContact CB-CE1 3.24Å; H292-Y326 HydrophobicContact CB-CE2 3.73Å; H292-Y326 HydrophobicContact CB-CG 4.21Å; H292-Y326 WeakPolarHBondContact CB-OH 3.28Å; H292-Y326 AromaticContact CD2-CE2 3.35Å; H292-Y326 WeakPolarHBondContact CD2-CE2 3.49Å; H292-Y326 AromaticContact CD2-CZ 3.59Å; H292-Y326 AromaticContact CG-CE2 3.72Å; H292-Y326 AromaticContact CG-CZ 3.45Å; H292-Y326 VanDerWaalsContact CG-CZ 3.45Å; H292-Y326 PolarHBondContact N-O 3.41Å; H292-Y326 PolarHBondContact O-N 3.28Å; H292-E328 IonicContact NE2-OE2 2.71Å; H292-E328 PolarHBondContact NE2-OE2 2.96Å |
| 293 | R | 92.4 | Very high | 87.6 | Confident | 59 Ų | 59 | 64.5 Ų | 64.5 | 22% | 0.223 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 137.8 | 171.6 | -174.7 | 172.5 | -179 | -170.4 | 4.8 | 109.1 | S303 W304 T306 G320 S322 Q324 Y325 | R293-S303 WeakPolarHBondContact O-CA 3.37Å; R293-W304 HydrophobicContact CB-CD2 4.42Å; R293-W304 HydrophobicContact CB-CH2 4.41Å; R293-W304 HydrophobicContact CB-CZ2 3.88Å; R293-W304 HydrophobicContact CG-CH2 4Å; R293-W304 HydrophobicContact CG-CZ2 3.63Å; R293-W304 PolarHBondContact N-O 3.02Å; R293-W304 PolarHBondContact O-N 2.65Å; R293-W304 VanDerWaalsContact O-N 3.1Å; R293-T306 HydrophobicContact CB-CG2 3.58Å; R293-G320 VanDerWaalsContact CZ-O 3.27Å; R293-G320 PolarHBondContact NH1-O 3.43Å; R293-G320 PolarHBondContact NH2-O 3.12Å; R293-S322 PolarHBondContact NH2-O 2.9Å; R293-Q324 WeakPolarHBondContact CA-O 3.28Å; R293-Y325 HydrophobicContact CB-CD1 4.13Å; R293-Y325 HydrophobicContact CB-CE1 4Å; R293-Y325 HydrophobicContact CG-CD1 4.27Å; R293-Y325 HydrophobicContact CG-CE1 3.89Å; R293-Y325 PolarHBondContact NE-OH 2.94Å |
| 294 | L | 90.3 | Very high | 87.2 | Confident | 27 Ų | 27 | 64.6 Ų | 64.6 | 14% | 0.141 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 134.9 | 179 | -63.2 | 172.9 | 0 | 0 | 0 | 110.2 | V301 H302 Q324 Y326 V340 | L294-V301 HydrophobicContact CD2-CG1 3.66Å; L294-H302 CarbonylContact C-O 3.58Å; L294-H302 WeakPolarHBondContact CA-O 3.32Å; L294-Q324 HydrophobicContact CB-CB 3.93Å; L294-Q324 HydrophobicContact CD1-CB 4.24Å; L294-Q324 PolarHBondContact N-O 3.04Å; L294-Y326 HydrophobicContact CD1-CD1 4.05Å; L294-Y326 HydrophobicContact CD1-CE1 4.37Å; L294-Y326 HydrophobicContact CD2-CD1 4.17Å; L294-Y326 HydrophobicContact CD2-CE1 3.69Å; L294-Y326 HydrophobicContact CG-CD1 3.97Å; L294-Y326 HydrophobicContact CG-CE1 3.99Å; L294-V340 HydrophobicContact CD1-CG1 4.02Å; L294-V340 HydrophobicContact CD1-CG2 3.7Å |
| 295 | A | 82.8 | Confident | 86.7 | Confident | 35 Ų | 35 | 67.3 Ų | 67.3 | 29% | 0.289 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 151 | 159.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | H302 W304 | A295-H302 PolarHBondContact N-O 3.21Å; A295-H302 PolarHBondContact O-N 3.16Å; A295-W304 HydrophobicContact CB-CH2 3.56Å; A295-W304 HydrophobicContact CB-CZ3 3.44Å; A295-W304 VanDerWaalsContact CB-CZ3 3.44Å |
| 296 | L | 75.1 | Confident | 86.2 | Confident | 127 Ų | 127 | 66.1 Ų | 66.1 | 67% | 0.665 | 40% | 0.395 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 118.5 | 167.6 | -71.8 | 157.7 | 0 | 0 | 0 | 107.2 | V301 | L296-V301 HydrophobicContact CD2-CG2 3.77Å |
| 297 | D | 71.7 | Confident | 85.9 | Confident | 114 Ų | 114 | 68 Ų | 68 | 61% | 0.61 | 40% | 0.401 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 120 | 172.1 | -170.3 | 12.7 | 0 | 0 | 0 | 109.6 | G299 T300 | D297-G299 PolarHBondContact O-N 2.84Å; D297-T300 PolarHBondContact N-O 3.29Å; D297-T300 PolarHBondContact O-N 3.09Å; D297-T300 PolarHBondContact O-OG1 2.81Å |
| 298 | G | 67 | Low | 85.8 | Confident | 84 Ų | 84 | 67 Ų | 67 | 87% | 0.866 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.7 | 23.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 299 | G | 72.3 | Confident | 85.7 | Confident | 74 Ų | 74 | 64.9 Ų | 64.9 | 76% | 0.763 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90.8 | -2.7 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115 | D297 | D297-G299 PolarHBondContact O-N 2.84Š|
| 300 | T | 74.5 | Confident | 85.6 | Confident | 77 Ų | 77 | 66.7 Ų | 66.7 | 47% | 0.472 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 138 | 172.8 | 62.2 | 0 | 0 | 0 | 0 | 111.3 | D297 | D297-T300 PolarHBondContact N-O 3.29Å; D297-T300 PolarHBondContact O-N 3.09Å; D297-T300 PolarHBondContact O-OG1 2.81Å |
| 301 | V | 80.9 | Confident | 85.5 | Confident | 98 Ų | 98 | 68.4 Ų | 68.4 | 59% | 0.594 | 42% | 0.421 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 113.8 | 177 | 178.8 | 0 | 0 | 0 | 0 | 108.8 | L294 L296 | L294-V301 HydrophobicContact CD2-CG1 3.66Å; L296-V301 HydrophobicContact CD2-CG2 3.77Å |
| 302 | H | 82.4 | Confident | 85.4 | Confident | 109 Ų | 109 | 69.7 Ų | 69.7 | 51% | 0.505 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 130.3 | 172.4 | -83.9 | 76 | 0 | 0 | 0 | 110.2 | L294 A295 | L294-H302 CarbonylContact C-O 3.58Å; L294-H302 WeakPolarHBondContact CA-O 3.32Å; A295-H302 PolarHBondContact N-O 3.21Å; A295-H302 PolarHBondContact O-N 3.16Å |
| 303 | S | 85.4 | Confident | 85.4 | Confident | 66 Ų | 66 | 72.1 Ų | 72.1 | 46% | 0.462 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 132.6 | 173.6 | 63 | 0 | 0 | 0 | 0 | 110.6 | R293 | R293-S303 WeakPolarHBondContact O-CA 3.37Å |
| 304 | W | 87.2 | Confident | 85.4 | Confident | 109 Ų | 109 | 70.7 Ų | 70.7 | 41% | 0.413 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 150.1 | 171.2 | 63.5 | 96.6 | 0 | 0 | 0 | 112.1 | H292 R293 A295 T306 | H292-W304 WeakPolarHBondContact CA-O 3.41Å; R293-W304 HydrophobicContact CB-CD2 4.42Å; R293-W304 HydrophobicContact CB-CH2 4.41Å; R293-W304 HydrophobicContact CB-CZ2 3.88Å; R293-W304 HydrophobicContact CG-CH2 4Å; R293-W304 HydrophobicContact CG-CZ2 3.63Å; R293-W304 PolarHBondContact N-O 3.02Å; R293-W304 PolarHBondContact O-N 2.65Å; R293-W304 VanDerWaalsContact O-N 3.1Å; A295-W304 HydrophobicContact CB-CH2 3.56Å; A295-W304 HydrophobicContact CB-CZ3 3.44Å; A295-W304 VanDerWaalsContact CB-CZ3 3.44Å; W304-T306 PolarHBondContact O-N 3.24Å |
| 305 | V | 85.8 | Confident | 85.5 | Confident | 87 Ų | 87 | 74.5 Ų | 74.5 | 53% | 0.527 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 128.5 | 177.8 | -178.5 | 0 | 0 | 0 | 0 | 109 | W291 | W291-V305 WeakPolarHBondContact O-CA 3.47Å |
| 306 | T | 86.1 | Confident | 85.8 | Confident | 48 Ų | 48 | 79.8 Ų | 79.8 | 29% | 0.294 | 49% | 0.486 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | -44 | 179.1 | 45.6 | 0 | 0 | 0 | 0 | 112.2 | W291 R293 W304 | W291-T306 WeakPolarHBondContact CB-OG1 3.11Å; W291-T306 PolarHBondContact O-N 2.85Å; W291-T306 PolarHBondContact O-OG1 2.74Å; R293-T306 HydrophobicContact CB-CG2 3.58Å; W304-T306 PolarHBondContact O-N 3.24Å |
| 307 | K | 91.5 | Very high | 86.6 | Confident | 70 Ų | 70 | 73.9 Ų | 73.9 | 30% | 0.304 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.9 | 150.9 | -177.3 | -166.4 | 176.6 | -179.7 | -170 | 0 | 111.1 | W291 V311 F312 | W291-K307 HydrophobicContact CB-CB 4.37Å; W291-K307 WeakPolarHBondContact CB-O 3.17Å; W291-K307 PolarHBondContact N-O 2.85Å; K307-V311 PolarHBondContact NZ-O 2.98Å; K307-F312 HydrophobicContact CB-CD1 4.33Å; K307-F312 HydrophobicContact CB-CD2 4.19Å; K307-F312 HydrophobicContact CB-CE1 4.45Å; K307-F312 HydrophobicContact CB-CE2 4.32Å; K307-F312 HydrophobicContact CB-CG 4.19Å; K307-F312 HydrophobicContact CB-CZ 4.44Å; K307-F312 HydrophobicContact CD-CB 4.05Å; K307-F312 HydrophobicContact CD-CD2 3.34Å; K307-F312 HydrophobicContact CD-CE2 3.92Å; K307-F312 HydrophobicContact CD-CG 3.82Å; K307-F312 HydrophobicContact CG-CD2 4.38Å |
| 308 | S | 93.7 | Very high | 87.5 | Confident | 86 Ų | 86 | 69.2 Ų | 69.2 | 60% | 0.601 | 43% | 0.434 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 148 | 168.4 | -60.5 | 0 | 0 | 0 | 0 | 111 | F289 | F289-S308 WeakPolarHBondContact O-CA 2.95Å |
| 309 | G | 94.1 | Very high | 88.3 | Confident | 23 Ų | 23 | 69.9 Ų | 69.9 | 24% | 0.237 | 42% | 0.423 | C | S | . | . | S | Bend | trans | 111.8 | 162.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | F289 W291 V311 | F289-G309 PolarHBondContact O-N 3.07Å; W291-G309 PolarHBondContact NE1-O 2.9Å; G309-V311 PolarHBondContact O-N 2.99Å; G309-V311 VanDerWaalsContact O-N 3.16Å |
| 310 | P | 95.1 | Very high | 89 | Confident | 68 Ų | 68 | 68.7 Ų | 68.7 | 44% | 0.442 | 41% | 0.411 | S | S | . | . | S | Bend | trans | -68.2 | -16 | -173 | 27.1 | -34.8 | 0 | 0 | 0 | 113.3 | T277 C278 F289 | T277-P310 WeakPolarHBondContact CA-O 3.41Å; C278-P310 PolarHBondContact N-O 3.38Å; F289-P310 HydrophobicContact CD2-CB 3.77Å; F289-P310 HydrophobicContact CE2-CB 3.99Å; F289-P310 HydrophobicContact CG-CB 4.39Å |
| 311 | V | 96.1 | Very high | 89.6 | Confident | 57 Ų | 57 | 67.9 Ų | 67.9 | 35% | 0.345 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 124.7 | -172.9 | -176.8 | 0 | 0 | 0 | 0 | 111.6 | T275 L276 T277 K307 G309 T313 | T275-V311 HydrophobicContact CG2-CG1 3.57Å; L276-V311 WeakPolarHBondContact O-CA 3.48Å; T277-V311 HydrophobicContact CG2-CG2 4.23Å; K307-V311 PolarHBondContact NZ-O 2.98Å; G309-V311 PolarHBondContact O-N 2.99Å; G309-V311 VanDerWaalsContact O-N 3.16Å; V311-T313 HydrophobicContact CG1-CG2 3.91Å |
| 312 | F | 94.6 | Very high | 90 | Very high | 26 Ų | 26 | 65.1 Ų | 65.1 | 11% | 0.114 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 105.6 | 173 | -171.7 | -174.1 | 0 | 0 | 0 | 110.9 | L276 W291 K307 F314 Y325 | L276-F312 HydrophobicContact CB-CB 4.32Å; L276-F312 HydrophobicContact CD1-CD1 4.5Å; L276-F312 PolarHBondContact N-O 2.97Å; L276-F312 PolarHBondContact O-N 3.22Å; W291-F312 HydrophobicContact CB-CD1 4.13Å; W291-F312 HydrophobicContact CD2-CB 3.94Å; W291-F312 HydrophobicContact CD2-CD1 4.14Å; W291-F312 HydrophobicContact CE3-CD1 4.44Å; W291-F312 HydrophobicContact CG-CB 4.1Å; W291-F312 AromaticContact CG-CD1 4Å; W291-F312 HydrophobicContact CG-CD1 4Å; W291-F312 HydrophobicContact CG-CG 4.45Å; W291-F312 HydrophobicContact CZ2-CB 4.21Å; K307-F312 HydrophobicContact CB-CD1 4.33Å; K307-F312 HydrophobicContact CB-CD2 4.19Å; K307-F312 HydrophobicContact CB-CE1 4.45Å; K307-F312 HydrophobicContact CB-CE2 4.32Å; K307-F312 HydrophobicContact CB-CG 4.19Å; K307-F312 HydrophobicContact CB-CZ 4.44Å; K307-F312 HydrophobicContact CD-CB 4.05Å; K307-F312 HydrophobicContact CD-CD2 3.34Å; K307-F312 HydrophobicContact CD-CE2 3.92Å; K307-F312 HydrophobicContact CD-CG 3.82Å; K307-F312 HydrophobicContact CG-CD2 4.38Å; F312-F314 HydrophobicContact CD1-CE2 4.23Å; F312-F314 AromaticContact CD1-CZ 3.99Å; F312-F314 HydrophobicContact CD1-CZ 3.99Å; F312-F314 HydrophobicContact CD2-CE2 4.2Å; F312-F314 HydrophobicContact CD2-CZ 4.1Å; F312-F314 HydrophobicContact CE1-CE1 4.19Å; F312-F314 HydrophobicContact CE1-CE2 4.2Å; F312-F314 AromaticContact CE1-CZ 3.5Å; F312-F314 HydrophobicContact CE1-CZ 3.5Å; F312-F314 VanDerWaalsContact CE1-CZ 3.5Å; F312-F314 HydrophobicContact CE2-CD1 4.32Å; F312-F314 AromaticContact CE2-CE1 3.71Å; F312-F314 HydrophobicContact CE2-CE1 3.71Å; F312-F314 HydrophobicContact CE2-CE2 4.16Å; F312-F314 AromaticContact CE2-CZ 3.62Å; F312-F314 HydrophobicContact CE2-CZ 3.62Å; F312-F314 HydrophobicContact CG-CE2 4.25Å; F312-F314 HydrophobicContact CG-CZ 4.28Å; F312-F314 AromaticContact CZ-CE1 3.52Å; F312-F314 HydrophobicContact CZ-CE1 3.52Å; F312-F314 HydrophobicContact CZ-CE2 4.17Å; F312-F314 AromaticContact CZ-CZ 3.3Å; F312-F314 HydrophobicContact CZ-CZ 3.3Å; F312-Y325 HydrophobicContact CE1-CE1 4.19Å |
| 313 | T | 94.2 | Very high | 90.4 | Very high | 71 Ų | 71 | 60.9 Ų | 60.9 | 44% | 0.436 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 135.6 | -179.5 | 46.4 | 0 | 0 | 0 | 0 | 112 | T275 V311 | T275-T313 HydrophobicContact CG2-CG2 3.83Å; V311-T313 HydrophobicContact CG1-CG2 3.91Å |
| 314 | F | 92.3 | Very high | 90.8 | Very high | 28 Ų | 28 | 61.4 Ų | 61.4 | 12% | 0.123 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 121.4 | 165.4 | -54.6 | -90.7 | 0 | 0 | 0 | 107.8 | P273 L274 L276 F312 V317 E321 | P273-F314 WeakPolarHBondContact CA-O 3.46Å; L274-F314 HydrophobicContact CB-CB 4.35Å; L274-F314 HydrophobicContact CB-CD2 4.04Å; L274-F314 HydrophobicContact CD2-CD2 3.99Å; L274-F314 HydrophobicContact CD2-CE2 4.19Å; L274-F314 HydrophobicContact CG-CD2 4.01Å; L274-F314 PolarHBondContact N-O 2.03Å; L274-F314 PolarHBondContact O-N 2.89Å; L276-F314 HydrophobicContact CD1-CE2 4.08Å; L276-F314 HydrophobicContact CG-CE2 4.32Å; F312-F314 HydrophobicContact CD1-CE2 4.23Å; F312-F314 AromaticContact CD1-CZ 3.99Å; F312-F314 HydrophobicContact CD1-CZ 3.99Å; F312-F314 HydrophobicContact CD2-CE2 4.2Å; F312-F314 HydrophobicContact CD2-CZ 4.1Å; F312-F314 HydrophobicContact CE1-CE1 4.19Å; F312-F314 HydrophobicContact CE1-CE2 4.2Å; F312-F314 AromaticContact CE1-CZ 3.5Å; F312-F314 HydrophobicContact CE1-CZ 3.5Å; F312-F314 VanDerWaalsContact CE1-CZ 3.5Å; F312-F314 HydrophobicContact CE2-CD1 4.32Å; F312-F314 AromaticContact CE2-CE1 3.71Å; F312-F314 HydrophobicContact CE2-CE1 3.71Å; F312-F314 HydrophobicContact CE2-CE2 4.16Å; F312-F314 AromaticContact CE2-CZ 3.62Å; F312-F314 HydrophobicContact CE2-CZ 3.62Å; F312-F314 HydrophobicContact CG-CE2 4.25Å; F312-F314 HydrophobicContact CG-CZ 4.28Å; F312-F314 AromaticContact CZ-CE1 3.52Å; F312-F314 HydrophobicContact CZ-CE1 3.52Å; F312-F314 HydrophobicContact CZ-CE2 4.17Å; F312-F314 AromaticContact CZ-CZ 3.3Å; F312-F314 HydrophobicContact CZ-CZ 3.3Å; F314-V317 HydrophobicContact CB-CG1 3.6Å; F314-V317 HydrophobicContact CD2-CG1 4.37Å; F314-V317 HydrophobicContact CG-CG1 3.99Å; F314-E321 HydrophobicContact CD1-CG 3.75Å; F314-E321 HydrophobicContact CE1-CB 4.34Å; F314-E321 HydrophobicContact CE1-CG 3.76Å |
| 315 | S | 91.8 | Very high | 91.1 | Very high | 107 Ų | 107 | 56.4 Ų | 56.4 | 75% | 0.748 | 35% | 0.349 | S | S | * | . | S | Bend | trans | -66.6 | -41.8 | 177.2 | -55 | 0 | 0 | 0 | 0 | 111.1 | P273 | P273-S315 VanDerWaalsContact CA-O 3.31Å; P273-S315 WeakPolarHBondContact CA-O 3.38Å; P273-S315 WeakPolarHBondContact CB-O 3.39Å |
| 316 | E | 91 | Very high | 91.7 | Very high | 146 Ų | 146 | 54 Ų | 54 | 68% | 0.682 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -141.1 | 124.5 | 173.6 | -67.5 | -173.6 | -175.2 | 0 | 0 | 108.7 | ||
| 317 | V | 91.3 | Very high | 92.2 | Very high | 3 Ų | 3 | 51.8 Ų | 51.8 | 2% | 0.018 | 32% | 0.317 | C | S | . | . | trans | -88.4 | 136.9 | 175.8 | -62.2 | 0 | 0 | 0 | 0 | 111.6 | V268 A270 G271 R272 L274 F314 E321 V345 | V268-V317 HydrophobicContact CB-CG2 4Å; V268-V317 HydrophobicContact CG1-CG2 3.57Å; A270-V317 CarbonylContact C-O 3.57Å; A270-V317 VanDerWaalsContact CA-O 3.28Å; A270-V317 WeakPolarHBondContact CA-O 3.1Å; G271-V317 PolarHBondContact N-O 2.84Å; R272-V317 WeakPolarHBondContact O-CG2 3.42Å; R272-V317 PolarHBondContact O-N 3.3Å; L274-V317 HydrophobicContact CB-CG1 3.48Å; L274-V317 VanDerWaalsContact CB-CG1 3.48Å; L274-V317 HydrophobicContact CD2-CG1 4.03Å; L274-V317 HydrophobicContact CG-CG1 4.4Å; F314-V317 HydrophobicContact CB-CG1 3.6Å; F314-V317 HydrophobicContact CD2-CG1 4.37Å; F314-V317 HydrophobicContact CG-CG1 3.99Å; V317-E321 HydrophobicContact CB-CB 4.5Å; V317-V345 HydrophobicContact CB-CG1 4.37Å; V317-V345 HydrophobicContact CB-CG2 3.94Å; V317-V345 HydrophobicContact CG2-CG1 3.83Å; V317-V345 HydrophobicContact CG2-CG2 3.91Å | ||
| 318 | G | 89.3 | Confident | 92.5 | Very high | 17 Ų | 17 | 50.2 Ų | 50.2 | 18% | 0.175 | 31% | 0.311 | C | S | . | . | trans | -113.5 | -179.1 | 169.5 | 0 | 0 | 0 | 0 | 0 | 112 | G320 E321 V345 | G318-G320 PolarHBondContact O-N 3.38Å; G318-E321 WeakPolarHBondContact CA-OE2 3.45Å; G318-E321 PolarHBondContact N-OE2 3.05Å; G318-E321 PolarHBondContact O-N 3.19Å; G318-V345 WeakPolarHBondContact O-CB 3.44Å; G318-V345 WeakPolarHBondContact O-CG1 3.35Å; G318-V345 VanDerWaalsContact O-CG2 3.29Å; G318-V345 WeakPolarHBondContact O-CG2 3.2Å | ||
| 319 | P | 85.4 | Confident | 92.7 | Very high | 98 Ų | 98 | 46.1 Ų | 46.1 | 64% | 0.636 | 28% | 0.282 | S | S | * | . | G | 310 helix | trans | -58 | -30.5 | 176.4 | -24.5 | 34.6 | 0 | 0 | 0 | 113.1 | E321 S322 | P319-E321 VanDerWaalsContact C-N 3.25Å; P319-E321 PolarHBondContact O-N 2.92Å; P319-S322 WeakPolarHBondContact O-CB 3.09Å; P319-S322 PolarHBondContact O-N 3.39Å; P319-S322 VanDerWaalsContact O-N 3.14Å; P319-S322 PolarHBondContact O-OG 3.08Å |
| 320 | G | 85.3 | Confident | 92.8 | Very high | 48 Ų | 48 | 50.7 Ų | 50.7 | 50% | 0.495 | 29% | 0.292 | S | S | . | . | G | 310 helix | trans | -68.4 | -17.8 | -179 | 0 | 0 | 0 | 0 | 0 | 114.8 | R293 G318 | R293-G320 VanDerWaalsContact CZ-O 3.27Å; R293-G320 PolarHBondContact NH1-O 3.43Å; R293-G320 PolarHBondContact NH2-O 3.12Å; G318-G320 PolarHBondContact O-N 3.38Å |
| 321 | E | 87.9 | Confident | 92.9 | Very high | 61 Ų | 61 | 47.7 Ų | 47.7 | 29% | 0.285 | 27% | 0.272 | S | S | . | . | G | 310 helix | trans | -90.3 | -2.7 | 175.2 | -68 | 68.1 | -151.8 | 0 | 0 | 112.5 | F314 V317 G318 P319 Y325 | F314-E321 HydrophobicContact CD1-CG 3.75Å; F314-E321 HydrophobicContact CE1-CB 4.34Å; F314-E321 HydrophobicContact CE1-CG 3.76Å; V317-E321 HydrophobicContact CB-CB 4.5Å; G318-E321 WeakPolarHBondContact CA-OE2 3.45Å; G318-E321 PolarHBondContact N-OE2 3.05Å; G318-E321 PolarHBondContact O-N 3.19Å; P319-E321 VanDerWaalsContact C-N 3.25Å; P319-E321 PolarHBondContact O-N 2.92Å; E321-Y325 PolarHBondContact O-OH 3.07Å |
| 322 | S | 89.8 | Confident | 92.9 | Very high | 39 Ų | 39 | 51.2 Ų | 51.2 | 27% | 0.273 | 28% | 0.279 | S | S | . | . | trans | -69 | 133.5 | 171 | -63 | 0 | 0 | 0 | 0 | 110.3 | R293 P319 V343 V345 | R293-S322 PolarHBondContact NH2-O 2.9Å; P319-S322 WeakPolarHBondContact O-CB 3.09Å; P319-S322 PolarHBondContact O-N 3.39Å; P319-S322 VanDerWaalsContact O-N 3.14Å; P319-S322 PolarHBondContact O-OG 3.08Å; S322-V343 WeakPolarHBondContact CA-O 3.22Å; S322-V345 WeakPolarHBondContact OG-CB 3.44Å; S322-V345 PolarHBondContact OG-N 3.48Å | ||
| 323 | G | 90.5 | Very high | 93 | Very high | 21 Ų | 21 | 51.9 Ų | 51.9 | 22% | 0.216 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 165.4 | -175.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y325 T342 V343 | G323-Y325 WeakPolarHBondContact O-CD2 3.22Å; G323-T342 CarbonylContact O-C 3.56Å; G323-T342 WeakPolarHBondContact O-CA 2.85Å; G323-V343 PolarHBondContact N-O 3.4Å; G323-V343 PolarHBondContact O-N 3.27Å |
| 324 | Q | 93.8 | Very high | 93.1 | Very high | 76 Ų | 76 | 49.5 Ų | 49.5 | 36% | 0.355 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 128.4 | 177.9 | -77 | -178.9 | -7.5 | 0 | 0 | 109.8 | R293 L294 V340 L341 | R293-Q324 WeakPolarHBondContact CA-O 3.28Å; L294-Q324 HydrophobicContact CB-CB 3.93Å; L294-Q324 HydrophobicContact CD1-CB 4.24Å; L294-Q324 PolarHBondContact N-O 3.04Å; Q324-V340 HydrophobicContact CB-CG1 3.6Å; Q324-V340 HydrophobicContact CG-CG1 3.82Å; Q324-L341 WeakPolarHBondContact CA-O 3.35Å |
| 325 | Y | 94.6 | Very high | 93.3 | Very high | 4 Ų | 4 | 50.1 Ų | 50.1 | 2% | 0.016 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 141.9 | -176.3 | -64.7 | -95.6 | 0 | 0 | 0 | 109.7 | L276 H292 R293 F312 E321 G323 V340 L341 V343 | L276-Y325 HydrophobicContact CD1-CG 4.43Å; H292-Y325 WeakPolarHBondContact O-CA 3.38Å; R293-Y325 HydrophobicContact CB-CD1 4.13Å; R293-Y325 HydrophobicContact CB-CE1 4Å; R293-Y325 HydrophobicContact CG-CD1 4.27Å; R293-Y325 HydrophobicContact CG-CE1 3.89Å; R293-Y325 PolarHBondContact NE-OH 2.94Å; F312-Y325 HydrophobicContact CE1-CE1 4.19Å; E321-Y325 PolarHBondContact O-OH 3.07Å; G323-Y325 WeakPolarHBondContact O-CD2 3.22Å; Y325-V340 CarbonylContact O-C 3.56Å; Y325-L341 PolarHBondContact N-O 3.41Å; Y325-L341 PolarHBondContact O-N 2.9Å; Y325-V343 HydrophobicContact CD2-CB 4.07Å; Y325-V343 HydrophobicContact CD2-CG2 3.68Å; Y325-V343 HydrophobicContact CE2-CB 3.94Å; Y325-V343 HydrophobicContact CE2-CG2 3.95Å |
| 326 | Y | 96.6 | Very high | 93.6 | Very high | 38 Ų | 38 | 48.7 Ų | 48.7 | 15% | 0.149 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 157 | 164.5 | 70.9 | -84.5 | 0 | 0 | 0 | 109.3 | H292 L294 | H292-Y326 HydrophobicContact CB-CD1 3.76Å; H292-Y326 HydrophobicContact CB-CD2 4.19Å; H292-Y326 HydrophobicContact CB-CE1 3.24Å; H292-Y326 HydrophobicContact CB-CE2 3.73Å; H292-Y326 HydrophobicContact CB-CG 4.21Å; H292-Y326 WeakPolarHBondContact CB-OH 3.28Å; H292-Y326 AromaticContact CD2-CE2 3.35Å; H292-Y326 WeakPolarHBondContact CD2-CE2 3.49Å; H292-Y326 AromaticContact CD2-CZ 3.59Å; H292-Y326 AromaticContact CG-CE2 3.72Å; H292-Y326 AromaticContact CG-CZ 3.45Å; H292-Y326 VanDerWaalsContact CG-CZ 3.45Å; H292-Y326 PolarHBondContact N-O 3.41Å; H292-Y326 PolarHBondContact O-N 3.28Å; L294-Y326 HydrophobicContact CD1-CD1 4.05Å; L294-Y326 HydrophobicContact CD1-CE1 4.37Å; L294-Y326 HydrophobicContact CD2-CD1 4.17Å; L294-Y326 HydrophobicContact CD2-CE1 3.69Å; L294-Y326 HydrophobicContact CG-CD1 3.97Å; L294-Y326 HydrophobicContact CG-CE1 3.99Å |
| 327 | C | 96.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 138.4 | 172.8 | 65.8 | 0 | 0 | 0 | 0 | 110 | I260 C278 T290 W291 S337 S338 | I260-C327 HydrophobicContact CD1-CB 4.49Å; I260-C327 HydrophobicContact CG1-CB 4.31Å; I260-C327 VanDerWaalsContact CG1-SG 3.54Å; C278-C327 HydrophobicContact CB-CB 3.61Å; C278-C327 WeakPolarHBondContact CB-SG 3.31Å; C278-C327 WeakPolarHBondContact SG-CB 3.5Å; C278-C327 CovalentContact SG-SG 2.03Å; C278-C327 PolarHBondContact SG-SG 2.6Å; T290-C327 CarbonylContact O-C 3.57Å; T290-C327 VanDerWaalsContact O-CA 3.31Å; T290-C327 WeakPolarHBondContact O-CA 3.47Å; W291-C327 HydrophobicContact CD2-CB 4.08Å; W291-C327 HydrophobicContact CE3-CB 3.92Å; W291-C327 HydrophobicContact CH2-CB 4.23Å; W291-C327 HydrophobicContact CZ2-CB 4.39Å; W291-C327 HydrophobicContact CZ3-CB 4Å; C327-S337 CarbonylContact O-C 3.54Å; C327-S337 VanDerWaalsContact O-CA 3.31Å; C327-S337 WeakPolarHBondContact O-CA 3.04Å; C327-S338 PolarHBondContact N-OG 2.81Å; C327-S338 PolarHBondContact O-N 2.89Å |
| 328 | E | 97.4 | Very high | 94.2 | Very high | 38 Ų | 38 | 44.5 Ų | 44.5 | 18% | 0.178 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 125.9 | 170.6 | 178.9 | -170 | 169.5 | 0 | 0 | 108.4 | F289 T290 H292 R330 A335 | F289-E328 CarbonylContact C-O 3.6Å; F289-E328 WeakPolarHBondContact CA-O 3.44Å; T290-E328 PolarHBondContact N-O 3Å; T290-E328 PolarHBondContact O-N 2.88Å; T290-E328 PolarHBondContact OG1-O 2.81Å; H292-E328 IonicContact NE2-OE2 2.71Å; H292-E328 PolarHBondContact NE2-OE2 2.96Å; E328-R330 IonicContact OE1-CZ 2.84Å; E328-R330 IonicContact OE1-NE 2.77Å; E328-R330 IonicContact OE1-NH2 3.76Å; E328-R330 PolarHBondContact OE1-NH2 3.08Å; E328-A335 HydrophobicContact CG-CB 4.13Å; E328-A335 WeakPolarHBondContact OE1-CB 3.45Å |
| 329 | A | 98.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 135.8 | 171.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | P255 T258 V286 F289 A335 H336 | P255-A329 HydrophobicContact CB-CB 3.86Å; P255-A329 HydrophobicContact CG-CB 4.29Å; P255-A329 WeakPolarHBondContact CG-O 3.21Å; T258-A329 HydrophobicContact CG2-CB 4.04Å; V286-A329 HydrophobicContact CG1-CB 3.99Å; V286-A329 HydrophobicContact CG2-CB 4.18Å; F289-A329 HydrophobicContact CD1-CB 3.71Å; F289-A329 HydrophobicContact CE1-CB 3.54Å; F289-A329 HydrophobicContact CZ-CB 4.47Å; A329-A335 CarbonylContact O-C 3.5Å; A329-A335 WeakPolarHBondContact O-CA 3.34Å; A329-A335 WeakPolarHBondContact O-CB 3.4Å; A329-H336 PolarHBondContact N-O 3.21Å; A329-H336 PolarHBondContact O-N 3.47Å |
| 330 | R | 97.6 | Very high | 95 | Very high | 119 Ų | 119 | 47.3 Ų | 47.3 | 45% | 0.449 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 139 | -179.3 | 172.3 | 177.5 | -69.1 | -111.4 | -0.8 | 112 | V286 D287 N288 E328 G334 A335 | V286-R330 WeakPolarHBondContact CG1-O 3.29Å; D287-R330 PolarHBondContact N-O 3.29Å; N288-R330 PolarHBondContact N-O 2.82Å; N288-R330 PolarHBondContact O-N 3Å; N288-R330 VanDerWaalsContact OD1-CB 3.3Å; N288-R330 WeakPolarHBondContact OD1-CB 3.22Å; E328-R330 IonicContact OE1-CZ 2.84Å; E328-R330 IonicContact OE1-NE 2.77Å; E328-R330 IonicContact OE1-NH2 3.76Å; E328-R330 PolarHBondContact OE1-NH2 3.08Å; R330-G334 WeakPolarHBondContact CA-O 3.26Å; R330-A335 HydrophobicContact CB-CB 3.89Å; R330-A335 HydrophobicContact CG-CB 4.21Å |
| 331 | N | 97.4 | Very high | 95.5 | Very high | 5 Ų | 5 | 46.7 Ų | 46.7 | 3% | 0.027 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 177.6 | 165.6 | 76 | 0.1 | 0 | 0 | 0 | 110.1 | Y253 P255 P284 D287 I333 G334 | Y253-N331 PolarHBondContact O-ND2 3.44Å; P255-N331 WeakPolarHBondContact CD-OD1 3.41Å; P255-N331 HydrophobicContact CG-CB 4.29Å; P284-N331 PolarHBondContact O-ND2 3.34Å; D287-N331 VanDerWaalsContact OD2-C 3.24Å; D287-N331 WeakPolarHBondContact OD2-CA 3.29Å; N331-I333 PolarHBondContact O-N 2.85Å; N331-I333 WeakPolarHBondContact OD1-CA 3.42Å; N331-I333 VanDerWaalsContact OD1-CB 3.3Å; N331-I333 WeakPolarHBondContact OD1-CB 3.38Å; N331-I333 PolarHBondContact OD1-N 2.87Å; N331-G334 PolarHBondContact N-O 3.39Å; N331-G334 PolarHBondContact O-N 3.47Å; N331-G334 VanDerWaalsContact O-N 3.16Å; N331-G334 PolarHBondContact OD1-N 2.88Å; N331-G334 PolarHBondContact OD1-O 3.38Å |
| 332 | R | 95.8 | Very high | 95.8 | Very high | 131 Ų | 131 | 46.4 Ų | 46.4 | 49% | 0.494 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -14.3 | 175.7 | 71.2 | 173.3 | -179.6 | 103.5 | -6 | 116.3 | D177 P284 D287 | D177-R332 IonicContact OD1-NH2 2.8Å; D177-R332 IonicContact OD2-CZ 3.92Å; D177-R332 VanDerWaalsContact OD2-CZ 3.28Å; D177-R332 IonicContact OD2-NH1 2.81Å; D177-R332 PolarHBondContact OD2-NH1 2.86Å; D177-R332 IonicContact OD2-NH2 3.65Å; D177-R332 PolarHBondContact OD2-NH2 2.85Å; P284-R332 HydrophobicContact CG-CG 4.11Å; D287-R332 PolarHBondContact OD2-N 2.92Å |
| 333 | I | 96 | Very high | 96 | Very high | 39 Ų | 39 | 44.6 Ų | 44.6 | 20% | 0.2 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | -34.4 | -180 | -50.9 | -59 | 0 | 0 | 0 | 111.1 | L252 P254 N331 | L252-I333 HydrophobicContact CB-CD1 4.01Å; L252-I333 HydrophobicContact CB-CG1 4.17Å; L252-I333 HydrophobicContact CD1-CD1 4.03Å; P254-I333 HydrophobicContact CB-CB 4.44Å; P254-I333 HydrophobicContact CB-CG2 4.28Å; N331-I333 PolarHBondContact O-N 2.85Å; N331-I333 WeakPolarHBondContact OD1-CA 3.42Å; N331-I333 VanDerWaalsContact OD1-CB 3.3Å; N331-I333 WeakPolarHBondContact OD1-CB 3.38Å; N331-I333 PolarHBondContact OD1-N 2.87Å |
| 334 | G | 96.1 | Very high | 96.2 | Very high | 21 Ų | 21 | 51.3 Ų | 51.3 | 22% | 0.216 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 171.9 | -161.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113 | P255 R330 N331 | P255-G334 VanDerWaalsContact CD-O 3.23Å; P255-G334 WeakPolarHBondContact CD-O 3.48Å; R330-G334 WeakPolarHBondContact CA-O 3.26Å; N331-G334 PolarHBondContact N-O 3.39Å; N331-G334 PolarHBondContact O-N 3.47Å; N331-G334 VanDerWaalsContact O-N 3.16Å; N331-G334 PolarHBondContact OD1-N 2.88Å; N331-G334 PolarHBondContact OD1-O 3.38Å |
| 335 | A | 96.9 | Very high | 96.1 | Very high | 41 Ų | 41 | 48.6 Ų | 48.6 | 34% | 0.339 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 155.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | E328 A329 R330 | E328-A335 HydrophobicContact CG-CB 4.13Å; E328-A335 WeakPolarHBondContact OE1-CB 3.45Å; A329-A335 CarbonylContact O-C 3.5Å; A329-A335 WeakPolarHBondContact O-CA 3.34Å; A329-A335 WeakPolarHBondContact O-CB 3.4Å; R330-A335 HydrophobicContact CB-CB 3.89Å; R330-A335 HydrophobicContact CG-CB 4.21Å |
| 336 | H | 97.6 | Very high | 95.9 | Very high | 77 Ų | 77 | 55.5 Ų | 55.5 | 36% | 0.356 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 130.7 | 175.6 | -177.7 | -89.6 | 0 | 0 | 0 | 111.3 | P255 T258 A329 | P255-H336 HydrophobicContact CB-CB 4.2Å; P255-H336 WeakPolarHBondContact O-CB 3.4Å; T258-H336 VanDerWaalsContact CB-ND1 3.35Å; T258-H336 WeakPolarHBondContact CB-ND1 3.33Å; T258-H336 PolarHBondContact N-ND1 2.82Å; T258-H336 PolarHBondContact OG1-ND1 3.49Å; T258-H336 PolarHBondContact OG1-O 3.35Å; A329-H336 PolarHBondContact N-O 3.21Å; A329-H336 PolarHBondContact O-N 3.47Å |
| 337 | S | 97.2 | Very high | 95.2 | Very high | 52 Ų | 52 | 56.5 Ų | 56.5 | 36% | 0.364 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 146 | -179.4 | -61.2 | 0 | 0 | 0 | 0 | 111.9 | C327 | C327-S337 CarbonylContact O-C 3.54Å; C327-S337 VanDerWaalsContact O-CA 3.31Å; C327-S337 WeakPolarHBondContact O-CA 3.04Å |
| 338 | S | 97.4 | Very high | 93.9 | Very high | 9 Ų | 9 | 64.7 Ų | 64.7 | 6% | 0.063 | 33% | 0.327 | C | S | . | . | P | Polyproline II helix | trans | -69.3 | 161.1 | 169.2 | 71.4 | 0 | 0 | 0 | 0 | 111.4 | T258 I260 C327 | T258-S338 WeakPolarHBondContact O-CA 2.97Å; I260-S338 WeakPolarHBondContact CD1-OG 3.18Å; I260-S338 WeakPolarHBondContact CG1-OG 3.43Å; C327-S338 PolarHBondContact N-OG 2.81Å; C327-S338 PolarHBondContact O-N 2.89Å |
| 339 | P | 96.4 | Very high | 92.1 | Very high | 102 Ų | 102 | 71 Ų | 71 | 66% | 0.662 | 36% | 0.36 | S | S | * | . | P | Polyproline II helix | trans | -54.1 | 154.8 | 157.5 | -22.7 | 34.1 | 0 | 0 | 0 | 111.3 | T258 L341 | T258-P339 WeakPolarHBondContact O-CD 3.39Å; P339-L341 PolarHBondContact O-N 2.9Å |
| 340 | V | 95.3 | Very high | 90 | Very high | 73 Ų | 73 | 80 Ų | 80 | 44% | 0.442 | 40% | 0.4 | S | S | . | . | P | Polyproline II helix | trans | -71.8 | 123.8 | 177.8 | 177.5 | 0 | 0 | 0 | 0 | 110.1 | L294 Q324 Y325 | L294-V340 HydrophobicContact CD1-CG1 4.02Å; L294-V340 HydrophobicContact CD1-CG2 3.7Å; Q324-V340 HydrophobicContact CB-CG1 3.6Å; Q324-V340 HydrophobicContact CG-CG1 3.82Å; Y325-V340 CarbonylContact O-C 3.56Å |
| 341 | L | 95.6 | Very high | 87.8 | Confident | 35 Ų | 35 | 78.9 Ų | 78.9 | 18% | 0.183 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 126.4 | 170.9 | -178.8 | 71.3 | 0 | 0 | 0 | 110 | I260 A262 L276 Q324 Y325 P339 V343 | I260-L341 HydrophobicContact CB-CD2 4.33Å; I260-L341 HydrophobicContact CD1-CB 3.97Å; I260-L341 HydrophobicContact CG2-CD2 3.54Å; A262-L341 HydrophobicContact CB-CD2 3.99Å; L276-L341 HydrophobicContact CD2-CD2 3.81Å; Q324-L341 WeakPolarHBondContact CA-O 3.35Å; Y325-L341 PolarHBondContact N-O 3.41Å; Y325-L341 PolarHBondContact O-N 2.9Å; P339-L341 PolarHBondContact O-N 2.9Å; L341-V343 HydrophobicContact CD2-CG2 4.25Å |
| 342 | T | 95.3 | Very high | 85.7 | Confident | 54 Ų | 54 | 85.3 Ų | 85.3 | 33% | 0.331 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 116.2 | 170.7 | -56.7 | 0 | 0 | 0 | 0 | 110.2 | G323 R344 | G323-T342 CarbonylContact O-C 3.56Å; G323-T342 WeakPolarHBondContact O-CA 2.85Å; T342-R344 HydrophobicContact CG2-CG 4.12Å |
| 343 | V | 93.9 | Very high | 83.6 | Confident | 2 Ų | 2 | 83.3 Ų | 83.3 | 1% | 0.012 | 46% | 0.46 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 125.9 | 171.2 | 177.1 | 0 | 0 | 0 | 0 | 108.8 | S266 L274 L276 S322 G323 Y325 L341 V345 | S266-V343 WeakPolarHBondContact O-CA 3.47Å; L274-V343 HydrophobicContact CD2-CG1 3.57Å; L274-V343 HydrophobicContact CD2-CG2 4.28Å; L276-V343 HydrophobicContact CD1-CG2 4.3Å; L276-V343 HydrophobicContact CD2-CG2 4.31Å; S322-V343 WeakPolarHBondContact CA-O 3.22Å; G323-V343 PolarHBondContact N-O 3.4Å; G323-V343 PolarHBondContact O-N 3.27Å; Y325-V343 HydrophobicContact CD2-CB 4.07Å; Y325-V343 HydrophobicContact CD2-CG2 3.68Å; Y325-V343 HydrophobicContact CE2-CB 3.94Å; Y325-V343 HydrophobicContact CE2-CG2 3.95Å; L341-V343 HydrophobicContact CD2-CG2 4.25Å; V343-V345 HydrophobicContact CG1-CG2 4.4Å |
| 344 | R | 93.3 | Very high | 81.5 | Confident | 162 Ų | 162 | 88.4 Ų | 88.4 | 61% | 0.611 | 49% | 0.487 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119 | 119.8 | 176.5 | -66.9 | -174.2 | 178.3 | 129.1 | -1.9 | 110.5 | S266 V267 V268 T342 | S266-R344 PolarHBondContact O-N 2.84Å; V267-R344 VanDerWaalsContact CA-O 3.31Å; V267-R344 WeakPolarHBondContact CA-O 3.17Å; V267-R344 HydrophobicContact CG1-CB 4.4Å; V267-R344 HydrophobicContact CG2-CB 4.36Å; V268-R344 PolarHBondContact N-O 3.29Å; T342-R344 HydrophobicContact CG2-CG 4.12Å |
| 345 | V | 92.9 | Very high | 79.2 | Confident | 19 Ų | 19 | 92.2 Ų | 92.2 | 12% | 0.115 | 52% | 0.516 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 118.9 | 175.8 | -174.7 | 0 | 0 | 0 | 0 | 109.9 | V268 A270 V317 G318 S322 V343 | V268-V345 CarbonylContact O-C 3.52Å; V268-V345 WeakPolarHBondContact O-CA 3.25Å; A270-V345 HydrophobicContact CB-CG1 3.98Å; V317-V345 HydrophobicContact CB-CG1 4.37Å; V317-V345 HydrophobicContact CB-CG2 3.94Å; V317-V345 HydrophobicContact CG2-CG1 3.83Å; V317-V345 HydrophobicContact CG2-CG2 3.91Å; G318-V345 WeakPolarHBondContact O-CB 3.44Å; G318-V345 WeakPolarHBondContact O-CG1 3.35Å; G318-V345 VanDerWaalsContact O-CG2 3.29Å; G318-V345 WeakPolarHBondContact O-CG2 3.2Å; S322-V345 WeakPolarHBondContact OG-CB 3.44Å; S322-V345 PolarHBondContact OG-N 3.48Å; V343-V345 HydrophobicContact CG1-CG2 4.4Å |
| 346 | R | 90.4 | Very high | 76.8 | Confident | 149 Ų | 149 | 94.3 Ų | 94.3 | 56% | 0.562 | 53% | 0.529 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 126 | 176 | -68.2 | 178.6 | 176.4 | 147.8 | -1.5 | 109.2 | V267 V268 D269 A270 | V267-R346 HydrophobicContact CG1-CG 4.11Å; V268-R346 PolarHBondContact O-N 3.43Å; D269-R346 WeakPolarHBondContact OD1-CB 3.28Å; D269-R346 WeakPolarHBondContact OD1-CD 3.13Å; A270-R346 WeakPolarHBondContact CB-O 3.24Å; A270-R346 PolarHBondContact N-O 2.94Å |
| 347 | G | 81.4 | Confident | 74.6 | Confident | 58 Ų | 58 | 95.5 Ų | 95.5 | 60% | 0.598 | 55% | 0.552 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 142.3 | 176 | 0 | 0 | 0 | 0 | 0 | 111.4 | L349 | G347-L349 PolarHBondContact O-N 2.98Š|
| 348 | R | 69.6 | Low | 72.4 | Confident | 173 Ų | 173 | 99.5 Ų | 99.5 | 65% | 0.653 | 57% | 0.574 | S | S | * | * | trans | -69 | 112.9 | 163.1 | -73.9 | -175.3 | -173.9 | -177.1 | 2.3 | 107.2 | A270 K350 | A270-R348 HydrophobicContact CB-CG 4.4Å; A270-R348 PolarHBondContact O-NE 3.17Å; A270-R348 PolarHBondContact O-NH2 3.1Å; R348-K350 PolarHBondContact O-N 2.85Å | ||
| 349 | L | 59.3 | Low | 70.1 | Confident | 170 Ų | 170 | 102.4 Ų | 102.4 | 89% | 0.89 | 61% | 0.606 | S | S | * | * | trans | -55.8 | 113.6 | 161.9 | -88.6 | 144.1 | 0 | 0 | 0 | 106.4 | G347 A351 | G347-L349 PolarHBondContact O-N 2.98Å; L349-A351 VanDerWaalsContact C-N 3.28Å; L349-A351 PolarHBondContact O-N 3.47Å | ||
| 350 | K | 54.6 | Low | 67.8 | Low | 190 Ų | 190 | 104.4 Ų | 104.4 | 83% | 0.826 | 62% | 0.616 | S | S | * | * | trans | -62.1 | 103.8 | 158.8 | -72.9 | -175.8 | 178.3 | 180 | 0 | 104.2 | R348 I352 | R348-K350 PolarHBondContact O-N 2.85Å; K350-I352 PolarHBondContact O-N 3.3Å | ||
| 351 | A | 51.6 | Low | 65.8 | Low | 95 Ų | 95 | 105.4 Ų | 105.4 | 79% | 0.785 | 63% | 0.626 | S | S | * | * | trans | -60.7 | 92 | 162.9 | 0 | 0 | 0 | 0 | 0 | 105.4 | L349 A353 | L349-A351 VanDerWaalsContact C-N 3.28Å; L349-A351 PolarHBondContact O-N 3.47Å; A351-A353 PolarHBondContact O-N 3.44Å | ||
| 352 | I | 53.3 | Low | 63.7 | Low | 139 Ų | 139 | 108.1 Ų | 108.1 | 71% | 0.713 | 65% | 0.653 | S | S | * | * | trans | -64.1 | 97.8 | 161.3 | -60.4 | 172.7 | 0 | 0 | 0 | 102.2 | K350 L354 | K350-I352 PolarHBondContact O-N 3.3Å; I352-L354 HydrophobicContact CG2-CG 4.41Å; I352-L354 PolarHBondContact O-N 2.69Å | ||
| 353 | A | 52.3 | Low | 61.5 | Low | 90 Ų | 90 | 109 Ų | 109 | 74% | 0.744 | 67% | 0.673 | S | S | * | * | trans | -60.6 | 90.7 | 166.2 | 0 | 0 | 0 | 0 | 0 | 105.6 | A351 A355 | A351-A353 PolarHBondContact O-N 3.44Å; A353-A355 PolarHBondContact O-N 3.4Å | ||
| 354 | L | 51 | Low | 59.5 | Low | 145 Ų | 145 | 116.5 Ų | 116.5 | 76% | 0.759 | 71% | 0.712 | S | S | * | * | trans | -64.5 | 89.1 | 156.4 | -73.8 | 169.1 | 0 | 0 | 0 | 104 | I352 S356 | I352-L354 HydrophobicContact CG2-CG 4.41Å; I352-L354 PolarHBondContact O-N 2.69Å; L354-S356 PolarHBondContact O-N 3.32Å | ||
| 355 | A | 48.8 | Very low | 57.7 | Low | 101 Ų | 101 | 115 Ų | 115 | 84% | 0.835 | 72% | 0.715 | S | S | * | * | trans | -66 | 67.3 | 157.6 | 0 | 0 | 0 | 0 | 0 | 106.9 | A353 A357 | A353-A355 PolarHBondContact O-N 3.4Å; A355-A357 PolarHBondContact O-N 2.91Å | ||
| 356 | S | 45.6 | Very low | 55.8 | Low | 86 Ų | 86 | 119.2 Ų | 119.2 | 60% | 0.601 | 75% | 0.745 | S | S | * | * | trans | -72.5 | 106.1 | 169.1 | 53.6 | 0 | 0 | 0 | 0 | 107.2 | L354 V358 | L354-S356 PolarHBondContact O-N 3.32Å; S356-V358 PolarHBondContact O-N 2.7Å | ||
| 357 | A | 51.2 | Low | 53.9 | Low | 102 Ų | 102 | 119.6 Ų | 119.6 | 84% | 0.843 | 76% | 0.758 | S | S | * | * | S | Bend | trans | 41.4 | 52 | 131.4 | 0 | 0 | 0 | 0 | 0 | 117.3 | A355 | A355-A357 PolarHBondContact O-N 2.91Š|
| 358 | V | 51.8 | Low | 52.3 | Low | 135 Ų | 135 | 122.6 Ų | 122.6 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | trans | -126.8 | 64.9 | 159.9 | -170.3 | 0 | 0 | 0 | 0 | 107.7 | S356 | S356-V358 PolarHBondContact O-N 2.7Š| ||
| 359 | G | 48 | Very low | 51.4 | Low | 71 Ų | 71 | 120.4 Ų | 120.4 | 73% | 0.732 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -142.2 | 16.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 360 | V | 49.3 | Very low | 50.8 | Low | 144 Ų | 144 | 116.9 Ų | 116.9 | 87% | 0.873 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -143.1 | 61.7 | 176.7 | -168.8 | 0 | 0 | 0 | 0 | 109.2 | ||
| 361 | S | 53.2 | Low | 50.5 | Low | 93 Ų | 93 | 114.3 Ų | 114.3 | 65% | 0.65 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -170.4 | 24.8 | 163.1 | 52 | 0 | 0 | 0 | 0 | 114.2 | ||
| 362 | A | 51.5 | Low | 50.2 | Low | 92 Ų | 92 | 117.9 Ų | 117.9 | 76% | 0.76 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -107.7 | -4.1 | 168.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 363 | G | 49.5 | Very low | 50 | Low | 73 Ų | 73 | 119.1 Ų | 119.1 | 75% | 0.753 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -95.2 | -2.5 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 364 | L | 51.5 | Low | 49.4 | Very low | 160 Ų | 160 | 119.9 Ų | 119.9 | 84% | 0.838 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -111 | -2 | -173.4 | -127.1 | 86.5 | 0 | 0 | 0 | 115.4 | ||
| 365 | I | 54.4 | Low | 48.9 | Very low | 131 Ų | 131 | 121.4 Ų | 121.4 | 67% | 0.672 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -104.7 | -6.4 | -174.6 | -57.5 | 173.7 | 0 | 0 | 0 | 112.5 | L367 | I365-L367 PolarHBondContact O-N 2.79Š|
| 366 | S | 53.1 | Low | 48.2 | Very low | 106 Ų | 106 | 122.9 Ų | 122.9 | 74% | 0.741 | 77% | 0.768 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.3 | 3.3 | -178.2 | -57.8 | 0 | 0 | 0 | 0 | 115.3 | ||
| 367 | L | 50.5 | Low | 47.6 | Very low | 158 Ų | 158 | 126 Ų | 126 | 83% | 0.827 | 78% | 0.775 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.1 | -0.1 | -171.3 | -127.2 | 109.2 | 0 | 0 | 0 | 116.3 | I365 | I365-L367 PolarHBondContact O-N 2.79Š|
| 368 | T | 47.7 | Very low | 46.8 | Very low | 121 Ų | 121 | 128 Ų | 128 | 74% | 0.742 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -118.5 | -2.4 | -173.9 | 50.4 | 0 | 0 | 0 | 0 | 115.9 | ||
| 369 | V | 51.4 | Low | 46.1 | Very low | 126 Ų | 126 | 131.5 Ų | 131.5 | 76% | 0.764 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -104.4 | -6.9 | -176.5 | -175 | 0 | 0 | 0 | 0 | 113.5 | ||
| 370 | A | 46.3 | Very low | 45.9 | Very low | 97 Ų | 97 | 132.2 Ų | 132.2 | 80% | 0.802 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -91.8 | 3.7 | -173.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 371 | V | 49.6 | Very low | 45.3 | Very low | 136 Ų | 136 | 131.2 Ų | 131.2 | 82% | 0.824 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -115.7 | -9.4 | -172.6 | -179.8 | 0 | 0 | 0 | 0 | 114.9 | ||
| 372 | M | 43.6 | Very low | 44.8 | Very low | 170 Ų | 170 | 132.1 Ų | 132.1 | 84% | 0.837 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -127.3 | 83.7 | 179.6 | -68.5 | -143.9 | -76.7 | 0 | 0 | 112.7 | ||
| 373 | I | 49.5 | Very low | 43.9 | Very low | 165 Ų | 165 | 135.3 Ų | 135.3 | 85% | 0.846 | 75% | 0.746 | S | S | * | * | 164.2 | 86.7 | 124.5 | -75.4 | 149.3 | 0 | 0 | 0 | 107 | |||||
| 374 | S | 40 | Very low | 43.3 | Very low | 105 Ų | 105 | 135.9 Ų | 135.9 | 73% | 0.734 | 74% | 0.739 | S | S | * | * | trans | -93 | 141.9 | 152.8 | 179 | 0 | 0 | 0 | 0 | 107 | ||||
| 375 | K | 40.2 | Very low | 42.7 | Very low | 178 Ų | 178 | 134 Ų | 134 | 77% | 0.774 | 73% | 0.733 | S | S | * | * | trans | 81.7 | 126.2 | 173.6 | -51.2 | 175.2 | 176.4 | 176 | 0 | 112.9 | ||||
| 376 | N | 35.3 | Very low | 42 | Very low | 132 Ų | 132 | 134 Ų | 134 | 71% | 0.706 | 73% | 0.734 | S | S | * | * | cis | -167.8 | 145.1 | 28.6 | -143.6 | 11.2 | 0 | 0 | 0 | 110.6 | ||||
| 377 | M | 31.6 | Very low | 41.1 | Very low | 152 Ų | 152 | 134.5 Ų | 134.5 | 75% | 0.749 | 73% | 0.729 | S | S | * | * | trans | 73.1 | 136.2 | 145.1 | -119.8 | 143.6 | 66.6 | 0 | 0 | 117.9 | ||||
| 378 | H | 35 | Very low | 40.5 | Very low | 142 Ų | 142 | 134.9 Ų | 134.9 | 66% | 0.657 | 73% | 0.73 | S | S | * | * | cis | -173.3 | 142.8 | -1.9 | -136.5 | -35.9 | 0 | 0 | 0 | 107.7 | ||||
| 379 | R | 37.7 | Very low | 39.7 | Very low | 210 Ų | 210 | 134.7 Ų | 134.7 | 79% | 0.792 | 73% | 0.725 | S | S | * | * | trans | 56.9 | 147.2 | 139.9 | -89.1 | -175.2 | 134.4 | 151.4 | -6 | 119.8 | ||||
| 380 | V | 43.5 | Very low | 38.7 | Very low | 85 Ų | 85 | 138 Ų | 138 | 52% | 0.515 | 73% | 0.729 | S | S | . | * | cis | -166.1 | 122.3 | 11.8 | 118.8 | 0 | 0 | 0 | 0 | 103.2 | ||||
| 381 | D | 37.3 | Very low | 38.1 | Very low | 124 Ų | 124 | 144.5 Ų | 144.5 | 66% | 0.663 | 73% | 0.733 | S | S | * | * | 84.2 | 140.3 | 107 | -64.3 | -14.9 | 0 | 0 | 0 | 110.6 | |||||
| 382 | T | 40.8 | Very low | 37.7 | Very low | 112 Ų | 112 | 143.7 Ų | 143.7 | 69% | 0.687 | 73% | 0.73 | S | S | * | * | cis | -178.9 | 163.3 | 11.7 | 19.6 | 0 | 0 | 0 | 0 | 102.4 | ||||
| 383 | E | 32.5 | Very low | 37 | Very low | 159 Ų | 159 | 139.6 Ų | 139.6 | 74% | 0.743 | 72% | 0.723 | S | S | * | * | cis | -162.1 | 126.6 | 14.3 | -118.2 | 162.5 | 134.9 | 0 | 0 | 102.7 | ||||
| 384 | S | 36.9 | Very low | 36.1 | Very low | 85 Ų | 85 | 138.4 Ų | 138.4 | 59% | 0.594 | 72% | 0.723 | S | S | * | * | 80.4 | 109.3 | 85.2 | 90.5 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 385 | V | 39.3 | Very low | 36 | Very low | 120 Ų | 120 | 139.1 Ų | 139.1 | 73% | 0.727 | 72% | 0.724 | S | S | * | * | 88 | 139.1 | 82.1 | 152.2 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 386 | D | 39.8 | Very low | 36.1 | Very low | 130 Ų | 130 | 136 Ų | 136 | 70% | 0.695 | 72% | 0.722 | S | S | * | * | cis | -162.7 | 139.6 | -4.7 | -102.2 | -13.2 | 0 | 0 | 0 | 103.9 | ||||
| 387 | D | 34.8 | Very low | 35.8 | Very low | 117 Ų | 117 | 136.1 Ų | 136.1 | 63% | 0.626 | 72% | 0.722 | S | S | * | * | 62.8 | 131 | 88.2 | -152 | 8.4 | 0 | 0 | 0 | 115.1 | N389 | D387-N389 PolarHBondContact OD1-N 3.05Š| |||
| 388 | I | 37.5 | Very low | 35.8 | Very low | 166 Ų | 166 | 134.2 Ų | 134.2 | 85% | 0.851 | 72% | 0.719 | S | S | * | * | trans | -175.5 | 89.5 | 130.8 | -83.7 | 151.2 | 0 | 0 | 0 | 106.9 | ||||
| 389 | N | 31.6 | Very low | 35.4 | Very low | 118 Ų | 118 | 134.3 Ų | 134.3 | 63% | 0.631 | 72% | 0.724 | S | S | * | * | 21.6 | 126.5 | 117.8 | -125.9 | -15.3 | 0 | 0 | 0 | 120.1 | D387 | D387-N389 PolarHBondContact OD1-N 3.05Š| |||
| 390 | K | 29 | Very low | 34.9 | Very low | 194 Ų | 194 | 135.2 Ų | 135.2 | 84% | 0.843 | 73% | 0.727 | S | S | * | * | 160.5 | 130 | 113.6 | -91.8 | 174.9 | 178.9 | 174.5 | 0 | 114.1 | |||||
| 391 | R | 33.8 | Very low | 34.1 | Very low | 235 Ų | 235 | 143 Ų | 143 | 89% | 0.887 | 75% | 0.747 | S | S | * | * | trans | -63.6 | 163.9 | 151.4 | -110.3 | -178.4 | -160.4 | -153.4 | 3 | 109.8 | ||||
| 392 | P | 42.6 | Very low | 33.9 | Very low | 118 Ų | 118 | 145.5 Ų | 145.5 | 77% | 0.766 | 76% | 0.755 | S | S | * | * | -159.1 | 168.3 | 53.3 | 41 | -17.6 | 0 | 0 | 0 | 119.4 | |||||
| 393 | A | 28.8 | Very low | 34.2 | Very low | 85 Ų | 85 | 145.6 Ų | 145.6 | 70% | 0.702 | 76% | 0.758 | S | S | * | * | trans | 48.4 | 151.9 | 131.1 | 0 | 0 | 0 | 0 | 0 | 125.5 | ||||
| 394 | V | 30.6 | Very low | 33.9 | Very low | 140 Ų | 140 | 142.5 Ų | 142.5 | 85% | 0.848 | 76% | 0.759 | S | S | * | * | trans | 101 | 118.9 | 146.1 | -168.5 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 395 | T | 37.1 | Very low | 33.6 | Very low | 120 Ų | 120 | 146.5 Ų | 146.5 | 74% | 0.736 | 77% | 0.768 | S | S | * | * | trans | -67.7 | 155.5 | 163.8 | 46.9 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 396 | P | 42.2 | Very low | 33 | Very low | 113 Ų | 113 | 147.7 Ų | 147.7 | 73% | 0.734 | 77% | 0.766 | S | S | * | * | -160.6 | 170.2 | 86.2 | 42.6 | -21.2 | 0 | 0 | 0 | 117.7 | |||||
| 397 | D | 29.2 | Very low | 32.5 | Very low | 133 Ų | 133 | 147.5 Ų | 147.5 | 71% | 0.711 | 77% | 0.77 | S | S | * | * | trans | 67.2 | 117 | 135.5 | -88.3 | -41.4 | 0 | 0 | 0 | 125.6 | ||||
| 398 | T | 30.6 | Very low | 32.5 | Very low | 112 Ų | 112 | 149.3 Ų | 149.3 | 69% | 0.687 | 78% | 0.779 | S | S | * | * | 44.1 | 129.1 | 121.1 | 53.1 | 0 | 0 | 0 | 0 | 122.9 | |||||
| 399 | L | 28.6 | Very low | 32.3 | Very low | 145 Ų | 145 | 147.3 Ų | 147.3 | 76% | 0.759 | 78% | 0.776 | S | S | * | * | 145.3 | 108 | 129.4 | -82.4 | 154.1 | 0 | 0 | 0 | 109.7 | |||||
| 400 | R | 25.4 | Very low | 32.2 | Very low | 229 Ų | 229 | 147.3 Ų | 147.3 | 86% | 0.864 | 78% | 0.78 | S | S | * | * | 72.8 | 103.5 | 81.4 | -160.9 | -178.2 | -162.3 | 176.7 | 7.1 | 112.9 | |||||
| 401 | R | 26.9 | Very low | 32.2 | Very low | 247 Ų | 247 | 149.6 Ų | 149.6 | 93% | 0.932 | 78% | 0.784 | S | S | * | * | trans | -169.9 | 105.2 | 139.9 | -121.7 | -177.7 | 168 | 148.4 | -3.3 | 112.3 | ||||
| 402 | E | 32.9 | Very low | 32 | Very low | 177 Ų | 177 | 144.1 Ų | 144.1 | 83% | 0.827 | 78% | 0.777 | S | S | * | * | trans | -71.3 | -177.7 | 139.3 | -95.9 | -178.6 | 154.6 | 0 | 0 | 109.4 | ||||
| 403 | P | 47 | Very low | 31.4 | Very low | 115 Ų | 115 | 142.4 Ų | 142.4 | 75% | 0.747 | 78% | 0.781 | S | S | * | * | cis | -136.3 | 178.1 | -21.5 | 28.2 | -6.4 | 0 | 0 | 0 | 112.1 | ||||
| 404 | A | 27.8 | Very low | 31.4 | Very low | 94 Ų | 94 | 147.8 Ų | 147.8 | 78% | 0.777 | 79% | 0.788 | S | S | * | * | trans | 177.2 | 102.1 | 140 | 0 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 405 | E | 29.1 | Very low | 31.2 | Very low | 168 Ų | 168 | 148.4 Ų | 148.4 | 79% | 0.785 | 78% | 0.783 | S | S | * | * | 65.9 | 131.3 | 75.3 | -133.4 | -167.2 | -156.2 | 0 | 0 | 114.4 | |||||
| 406 | Q | 28.7 | Very low | 30.7 | Very low | 146 Ų | 146 | 147 Ų | 147 | 68% | 0.682 | 78% | 0.779 | S | S | * | * | trans | 109 | 110 | 149.1 | -64.6 | -179.6 | 25.6 | 0 | 0 | 120.2 | ||||
| 407 | T | 27.9 | Very low | 30 | Very low | 126 Ų | 126 | 148.8 Ų | 148.8 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | 96.5 | 112.5 | 124.3 | 46.5 | 0 | 0 | 0 | 0 | 120.4 | |||||
| 408 | L | 34.8 | Very low | 30.2 | Very low | 155 Ų | 155 | 150.2 Ų | 150.2 | 81% | 0.812 | 79% | 0.788 | S | S | * | * | trans | -45.4 | 158.8 | 145.9 | -78.9 | 118.9 | 0 | 0 | 0 | 112.1 | ||||
| 409 | P | 33.7 | Very low | 30.3 | Very low | 123 Ų | 123 | 150.5 Ų | 150.5 | 80% | 0.799 | 79% | 0.792 | S | S | * | * | -123 | 128.2 | 128.2 | 29.8 | -17.9 | 0 | 0 | 0 | 112.2 | |||||
| 410 | V | 29.9 | Very low | 30.6 | Very low | 118 Ų | 118 | 153 Ų | 153 | 72% | 0.715 | 80% | 0.8 | S | S | * | * | trans | -54.5 | 127.7 | 150.7 | 170.8 | 0 | 0 | 0 | 0 | 107.9 | T412 | V410-T412 HydrophobicContact CG1-CG2 4.27Š| ||
| 411 | R | 28.1 | Very low | 30.9 | Very low | 242 Ų | 242 | 150.6 Ų | 150.6 | 91% | 0.913 | 80% | 0.798 | S | S | * | * | trans | -101.9 | 100.7 | 166.1 | -160.8 | 173.3 | -177.6 | 176.2 | 0.1 | 109.2 | ||||
| 412 | T | 29.6 | Very low | 31.2 | Very low | 121 Ų | 121 | 143.3 Ų | 143.3 | 74% | 0.742 | 78% | 0.783 | S | S | * | * | trans | -65.6 | 141.4 | 159.4 | 40.8 | 0 | 0 | 0 | 0 | 110 | V410 | V410-T412 HydrophobicContact CG1-CG2 4.27Š| ||
| 413 | G | 29.9 | Very low | 31.3 | Very low | 82 Ų | 82 | 144.4 Ų | 144.4 | 85% | 0.845 | 79% | 0.788 | S | S | * | * | trans | -142.2 | 93.7 | 169.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 414 | K | 28.9 | Very low | 30.3 | Very low | 197 Ų | 197 | 145.4 Ų | 145.4 | 86% | 0.857 | 79% | 0.787 | S | S | * | * | trans | -122.2 | 147 | 158 | -106 | -173.5 | 178.7 | -173.6 | 0 | 103.1 | ||||
| 415 | M | 27 | Very low | 30.7 | Very low | 153 Ų | 153 | 149.2 Ų | 149.2 | 75% | 0.754 | 79% | 0.793 | S | S | * | * | cis | -168.6 | 160 | 23.5 | -170.4 | 131 | 147.2 | 0 | 0 | 106 | ||||
| 416 | S | 26.7 | Very low | 30.6 | Very low | 92 Ų | 92 | 146.1 Ų | 146.1 | 64% | 0.643 | 79% | 0.79 | S | S | * | * | 148.1 | 128.3 | 120.5 | -73.7 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 417 | D | 27.4 | Very low | 30.6 | Very low | 149 Ų | 149 | 145.9 Ų | 145.9 | 80% | 0.797 | 79% | 0.794 | S | S | * | * | trans | 78.4 | 85.3 | 146 | -52.1 | -16.6 | 0 | 0 | 0 | 118.4 | ||||
| 418 | I | 33.5 | Very low | 30.5 | Very low | 164 Ų | 164 | 145.8 Ų | 145.8 | 84% | 0.841 | 79% | 0.793 | S | S | * | * | trans | -132.1 | 134.4 | 148.3 | -59.8 | 179.2 | 0 | 0 | 0 | 107.2 | ||||
| 419 | P | 32.2 | Very low | 30.1 | Very low | 118 Ų | 118 | 142.3 Ų | 142.3 | 77% | 0.766 | 78% | 0.782 | S | S | * | * | trans | -75.7 | 141.5 | -155.2 | -12.7 | 29.5 | 0 | 0 | 0 | 113.8 | ||||
| 420 | E | 35.5 | Very low | 29.9 | Very low | 197 Ų | 197 | 143.8 Ų | 143.8 | 92% | 0.921 | 78% | 0.778 | S | S | * | * | trans | -64.6 | 123.8 | 153.5 | -81.4 | 175.8 | 146.1 | 0 | 0 | 109.4 | ||||
| 421 | E | 30.9 | Very low | 29.7 | Very low | 179 Ų | 179 | 144.1 Ų | 144.1 | 84% | 0.836 | 78% | 0.782 | S | S | * | * | trans | -155.1 | 154 | 163.3 | -118.5 | -174.7 | -169.9 | 0 | 0 | 107.9 | ||||
| 422 | P | 34.2 | Very low | 29.5 | Very low | 94 Ų | 94 | 136.9 Ų | 136.9 | 61% | 0.61 | 77% | 0.769 | S | S | * | * | -101.3 | 162.1 | -90.7 | 34.7 | -31.1 | 0 | 0 | 0 | 112.4 | D424 | P422-D424 VanDerWaalsContact C-N 3.25Å; P422-D424 PolarHBondContact O-N 3.32Å | |||
| 423 | E | 34 | Very low | 29.5 | Very low | 200 Ų | 200 | 138.7 Ų | 138.7 | 94% | 0.935 | 77% | 0.772 | S | S | * | * | trans | -62.1 | 92 | 155.7 | -72.7 | -165.2 | 158.3 | 0 | 0 | 108.8 | ||||
| 424 | D | 27.7 | Very low | 29.3 | Very low | 135 Ų | 135 | 139.9 Ų | 139.9 | 72% | 0.722 | 76% | 0.763 | S | S | * | * | trans | -97.3 | 115.5 | 166 | -107.2 | -21.2 | 0 | 0 | 0 | 109.8 | P422 S426 | P422-D424 VanDerWaalsContact C-N 3.25Å; P422-D424 PolarHBondContact O-N 3.32Å; D424-S426 VanDerWaalsContact C-N 3.29Å; D424-S426 PolarHBondContact O-N 3.17Å | ||
| 425 | L | 35.8 | Very low | 29.1 | Very low | 174 Ų | 174 | 135.4 Ų | 135.4 | 91% | 0.911 | 75% | 0.754 | S | S | * | * | trans | -49 | 90.3 | 159.9 | -77.9 | 139.8 | 0 | 0 | 0 | 109.7 | D427 | L425-D427 PolarHBondContact O-N 2.99Š| ||
| 426 | S | 27.1 | Very low | 29 | Very low | 103 Ų | 103 | 136.2 Ų | 136.2 | 72% | 0.72 | 76% | 0.761 | S | S | * | * | trans | -91.3 | 87.3 | 160.9 | 48.9 | 0 | 0 | 0 | 0 | 108.1 | D424 T428 | D424-S426 VanDerWaalsContact C-N 3.29Å; D424-S426 PolarHBondContact O-N 3.17Å; S426-T428 VanDerWaalsContact C-N 3.33Å; S426-T428 PolarHBondContact O-N 2.9Å | ||
| 427 | D | 27.4 | Very low | 29 | Very low | 142 Ų | 142 | 139.8 Ų | 139.8 | 76% | 0.759 | 77% | 0.769 | S | S | * | * | trans | -43.5 | 98.6 | 155.1 | -151.3 | 4.4 | 0 | 0 | 0 | 107.6 | L425 S429 | L425-D427 PolarHBondContact O-N 2.99Å; D427-S429 PolarHBondContact O-N 2.79Å | ||
| 428 | T | 25.4 | Very low | 28.9 | Very low | 123 Ų | 123 | 139.9 Ų | 139.9 | 76% | 0.755 | 77% | 0.77 | S | S | * | * | trans | -73.4 | 66.9 | 162.4 | 56.5 | 0 | 0 | 0 | 0 | 106.7 | S426 H430 | S426-T428 VanDerWaalsContact C-N 3.33Å; S426-T428 PolarHBondContact O-N 2.9Å; T428-H430 VanDerWaalsContact C-N 3.28Å; T428-H430 PolarHBondContact O-N 2.81Å | ||
| 429 | S | 28.1 | Very low | 28.6 | Very low | 82 Ų | 82 | 136.2 Ų | 136.2 | 57% | 0.573 | 76% | 0.764 | S | S | * | * | trans | -54.1 | 107.4 | 148.6 | 62 | 0 | 0 | 0 | 0 | 104.8 | D427 | D427-S429 PolarHBondContact O-N 2.79Š| ||
| 430 | H | 29.2 | Very low | 28.3 | Very low | 154 Ų | 154 | 135.9 Ų | 135.9 | 71% | 0.713 | 76% | 0.761 | S | S | * | * | trans | -38.7 | 153 | 149.4 | -69.3 | -73.4 | 0 | 0 | 0 | 108.3 | T428 S432 | T428-H430 VanDerWaalsContact C-N 3.28Å; T428-H430 PolarHBondContact O-N 2.81Å; H430-S432 PolarHBondContact O-N 2.96Å | ||
| 431 | P | 25.8 | Very low | 27.8 | Very low | 126 Ų | 126 | 132.1 Ų | 132.1 | 82% | 0.818 | 75% | 0.754 | S | S | * | * | trans | -56.3 | 96.9 | 159.6 | 25.8 | -30.2 | 0 | 0 | 0 | 105.5 | I433 | P431-I433 PolarHBondContact O-N 2.89Š| ||
| 432 | S | 23.9 | Very low | 27.8 | Very low | 90 Ų | 90 | 131 Ų | 131 | 63% | 0.629 | 75% | 0.752 | S | S | * | * | trans | -49.8 | 123.2 | 163 | -68.9 | 0 | 0 | 0 | 0 | 102 | H430 V434 | H430-S432 PolarHBondContact O-N 2.96Å; S432-V434 PolarHBondContact O-N 2.83Å | ||
| 433 | I | 29.8 | Very low | 27.4 | Very low | 158 Ų | 158 | 135.2 Ų | 135.2 | 81% | 0.81 | 76% | 0.761 | S | S | * | * | trans | -47.1 | 100.2 | 167.2 | -69.3 | 161.2 | 0 | 0 | 0 | 104 | P431 P435 | P431-I433 PolarHBondContact O-N 2.89Å; I433-P435 WeakPolarHBondContact O-CD 3.43Å | ||
| 434 | V | 24.7 | Very low | 27.4 | Very low | 108 Ų | 108 | 134.6 Ų | 134.6 | 66% | 0.655 | 76% | 0.758 | S | S | * | * | trans | -63.4 | 111.7 | 166.5 | -178.5 | 0 | 0 | 0 | 0 | 100.5 | S432 L436 | S432-V434 PolarHBondContact O-N 2.83Å; V434-L436 PolarHBondContact O-N 2.78Å; V434-L436 VanDerWaalsContact O-N 3.09Å | ||
| 435 | P | 24.8 | Very low | 27.4 | Very low | 103 Ų | 103 | 134 Ų | 134 | 67% | 0.669 | 76% | 0.759 | S | S | * | * | trans | -53 | 128.4 | 168.5 | -13.7 | 28.4 | 0 | 0 | 0 | 104.1 | I433 M437 | I433-P435 WeakPolarHBondContact O-CD 3.43Å; P435-M437 PolarHBondContact O-N 3.16Å | ||
| 436 | L | 26.1 | Very low | 27.5 | Very low | 170 Ų | 170 | 132 Ų | 132 | 89% | 0.89 | 76% | 0.759 | S | S | * | * | trans | -40.4 | 120 | 169 | -95.5 | 111.3 | 0 | 0 | 0 | 106.9 | V434 D438 | V434-L436 PolarHBondContact O-N 2.78Å; V434-L436 VanDerWaalsContact O-N 3.09Å; L436-D438 PolarHBondContact O-N 3.09Å; L436-D438 VanDerWaalsContact O-N 3.12Å | ||
| 437 | M | 25.7 | Very low | 27.8 | Very low | 166 Ų | 166 | 129.2 Ų | 129.2 | 82% | 0.818 | 75% | 0.747 | S | S | * | * | trans | -33.1 | 120.8 | 178.2 | -80.5 | -87.6 | 158.5 | 0 | 0 | 109 | P435 A439 | P435-M437 PolarHBondContact O-N 3.16Å; M437-A439 PolarHBondContact O-N 2.99Å | ||
| 438 | D | 26.3 | Very low | 28.6 | Very low | 152 Ų | 152 | 135.1 Ų | 135.1 | 81% | 0.813 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -46.5 | 128.8 | 156.8 | -78.8 | -41.7 | 0 | 0 | 0 | 106.1 | L436 P440 | L436-D438 PolarHBondContact O-N 3.09Å; L436-D438 VanDerWaalsContact O-N 3.12Å; D438-P440 VanDerWaalsContact O-N 3.16Å |
| 439 | A | 25.3 | Very low | 29.1 | Very low | 87 Ų | 87 | 134.2 Ų | 134.2 | 72% | 0.719 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -47.3 | 130.1 | 169.3 | 0 | 0 | 0 | 0 | 0 | 106.9 | M437 | M437-A439 PolarHBondContact O-N 2.99Š|
| 440 | P | 26.1 | Very low | 29.9 | Very low | 110 Ų | 110 | 134.7 Ų | 134.7 | 71% | 0.714 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -53.2 | 136.8 | -175.2 | 20.1 | -30.7 | 0 | 0 | 0 | 108 | D438 I442 | D438-P440 VanDerWaalsContact O-N 3.16Å; P440-I442 PolarHBondContact O-N 2.88Å; P440-I442 VanDerWaalsContact O-N 3.08Å |
| 441 | P | 26.1 | Very low | 30.6 | Very low | 118 Ų | 118 | 131 Ų | 131 | 77% | 0.766 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 128.1 | 172.6 | 23.5 | -31.1 | 0 | 0 | 0 | 106 | K443 | P441-K443 VanDerWaalsContact C-N 3.32Å; P441-K443 PolarHBondContact O-N 2.9Å |
| 442 | I | 30.3 | Very low | 31.8 | Very low | 156 Ų | 156 | 128.2 Ų | 128.2 | 80% | 0.8 | 74% | 0.74 | S | S | * | * | trans | -53.1 | 107.4 | 171.4 | -62.3 | 170.6 | 0 | 0 | 0 | 104.8 | P440 E444 | P440-I442 PolarHBondContact O-N 2.88Å; P440-I442 VanDerWaalsContact O-N 3.08Å; I442-E444 PolarHBondContact O-N 2.84Å | ||
| 443 | K | 25.9 | Very low | 33.4 | Very low | 183 Ų | 183 | 127.4 Ų | 127.4 | 80% | 0.796 | 73% | 0.729 | S | S | * | * | trans | -57 | 116.3 | 157.5 | -76.8 | -174.5 | 177.4 | -178.7 | 0 | 103.4 | P441 V445 | P441-K443 VanDerWaalsContact C-N 3.32Å; P441-K443 PolarHBondContact O-N 2.9Å; K443-V445 PolarHBondContact O-N 3.49Å | ||
| 444 | E | 33.2 | Very low | 35.3 | Very low | 186 Ų | 186 | 121.6 Ų | 121.6 | 87% | 0.869 | 70% | 0.698 | S | S | * | * | trans | -54.4 | 94.4 | 164.5 | -73.7 | -169.9 | 163.6 | 0 | 0 | 106.4 | I442 S446 | I442-E444 PolarHBondContact O-N 2.84Å; E444-S446 VanDerWaalsContact C-N 3.32Å; E444-S446 PolarHBondContact O-N 2.68Å | ||
| 445 | V | 27.9 | Very low | 37.3 | Very low | 124 Ų | 124 | 117.2 Ų | 117.2 | 75% | 0.752 | 67% | 0.671 | S | S | * | * | trans | -65.1 | 107.6 | 160.9 | 176.2 | 0 | 0 | 0 | 0 | 102.8 | K443 G447 | K443-V445 PolarHBondContact O-N 3.49Å; V445-G447 PolarHBondContact O-N 2.72Å | ||
| 446 | S | 38.2 | Very low | 39.6 | Very low | 130 Ų | 130 | 112.7 Ų | 112.7 | 91% | 0.909 | 64% | 0.642 | S | S | * | * | trans | -63.6 | 68.1 | 165.4 | 52 | 0 | 0 | 0 | 0 | 108.9 | E444 | E444-S446 VanDerWaalsContact C-N 3.32Å; E444-S446 PolarHBondContact O-N 2.68Å | ||
| 447 | G | 32.8 | Very low | 41.9 | Very low | 45 Ų | 45 | 104.8 Ų | 104.8 | 46% | 0.464 | 60% | 0.6 | S | S | . | * | S | Bend | trans | -130.5 | 123.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 106.3 | V445 S449 | V445-G447 PolarHBondContact O-N 2.72Å; G447-S449 PolarHBondContact O-N 3.05Å |
| 448 | R | 44.5 | Very low | 44.3 | Very low | 267 Ų | 267 | 97.7 Ų | 97.7 | 100% | 1.008 | 57% | 0.565 | S | S | * | * | trans | -55.6 | 76.8 | -175.2 | -151.1 | 175.8 | -167.1 | -179.2 | 2.6 | 111.3 | ||||
| 449 | S | 37.4 | Very low | 46.7 | Very low | 104 Ų | 104 | 93.1 Ų | 93.1 | 73% | 0.727 | 54% | 0.537 | S | S | * | . | trans | -86.3 | 114 | 177.4 | 171 | 0 | 0 | 0 | 0 | 108.5 | G447 A451 | G447-S449 PolarHBondContact O-N 3.05Å; S449-A451 PolarHBondContact O-N 3.02Å | ||
| 450 | S | 43.3 | Very low | 49 | Very low | 91 Ų | 91 | 90 Ų | 90 | 64% | 0.636 | 51% | 0.51 | S | S | * | . | trans | -49 | 112 | 168.7 | 52.5 | 0 | 0 | 0 | 0 | 109.7 | S452 | S450-S452 PolarHBondContact O-N 3.06Š| ||
| 451 | A | 45 | Very low | 51.3 | Low | 78 Ų | 78 | 88.1 Ų | 88.1 | 65% | 0.645 | 49% | 0.489 | S | S | * | . | trans | -59.2 | 105.1 | 177 | 0 | 0 | 0 | 0 | 0 | 109.2 | S449 N453 | S449-A451 PolarHBondContact O-N 3.02Å; A451-N453 PolarHBondContact O-N 2.93Å | ||
| 452 | S | 50.3 | Low | 53.1 | Low | 66 Ų | 66 | 87.7 Ų | 87.7 | 46% | 0.462 | 48% | 0.478 | S | S | . | . | trans | -66 | 127.4 | 174.8 | 38.7 | 0 | 0 | 0 | 0 | 109.6 | S450 F454 | S450-S452 PolarHBondContact O-N 3.06Å; S452-F454 WeakPolarHBondContact O-CD1 3.31Å; S452-F454 VanDerWaalsContact O-CE1 3.32Å; S452-F454 WeakPolarHBondContact O-CE1 3.31Å | ||
| 453 | N | 57.7 | Low | 54.2 | Low | 74 Ų | 74 | 83.2 Ų | 83.2 | 40% | 0.396 | 46% | 0.46 | S | S | . | . | trans | -80.6 | 123.9 | -179.7 | -61.1 | -32.5 | 0 | 0 | 0 | 110.1 | G16 C17 A451 | G16-N453 VanDerWaalsContact CA-OD1 3.31Å; G16-N453 WeakPolarHBondContact CA-OD1 3.2Å; C17-N453 PolarHBondContact N-OD1 3.43Å; A451-N453 PolarHBondContact O-N 2.93Å | ||
| 454 | F | 68.9 | Low | 54.9 | Low | 36 Ų | 36 | 77.7 Ų | 77.7 | 16% | 0.158 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 158.5 | 177.5 | 54.3 | -99 | 0 | 0 | 0 | 112.7 | R15 S452 T456 L489 | R15-F454 HydrophobicContact CB-CD2 4.37Å; R15-F454 HydrophobicContact CB-CE1 4.38Å; R15-F454 HydrophobicContact CB-CE2 3.9Å; R15-F454 HydrophobicContact CB-CZ 3.92Å; R15-F454 HydrophobicContact CG-CE2 4.06Å; R15-F454 HydrophobicContact CG-CZ 4.21Å; R15-F454 PolarHBondContact N-O 2.94Å; R15-F454 PolarHBondContact O-N 3.38Å; S452-F454 WeakPolarHBondContact O-CD1 3.31Å; S452-F454 VanDerWaalsContact O-CE1 3.32Å; S452-F454 WeakPolarHBondContact O-CE1 3.31Å; F454-T456 HydrophobicContact CD2-CG2 3.7Å; F454-T456 HydrophobicContact CE2-CG2 4.14Å; F454-L489 HydrophobicContact CD2-CD2 3.81Å; F454-L489 HydrophobicContact CE1-CD2 3.98Å; F454-L489 HydrophobicContact CE2-CD2 3.15Å; F454-L489 HydrophobicContact CG-CD2 4.43Å; F454-L489 HydrophobicContact CZ-CD2 3.24Å |
| 455 | I | 67.7 | Low | 55.1 | Low | 15 Ų | 15 | 74.7 Ų | 74.7 | 8% | 0.077 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 130.6 | 174.5 | -54.8 | 172.2 | 0 | 0 | 0 | 107.9 | A14 A18 L24 C54 P56 V62 S64 | A14-I455 HydrophobicContact CB-CG1 4.36Å; A18-I455 HydrophobicContact CB-CG1 4.28Å; L24-I455 HydrophobicContact CD1-CG2 4.41Å; L24-I455 HydrophobicContact CD2-CD1 4.34Å; L24-I455 HydrophobicContact CD2-CG2 4.15Å; C54-I455 HydrophobicContact CB-CG2 3.61Å; P56-I455 HydrophobicContact CG-CD1 3.57Å; V62-I455 HydrophobicContact CG1-CD1 4.29Å; S64-I455 WeakPolarHBondContact CB-O 3.28Å |
| 456 | T | 72.2 | Confident | 55.3 | Low | 9 Ų | 9 | 75.4 Ų | 75.4 | 6% | 0.055 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 146.1 | -175.3 | 48.5 | 0 | 0 | 0 | 0 | 111.5 | Q13 F454 H458 T488 L489 | Q13-T456 PolarHBondContact N-O 3.35Å; Q13-T456 PolarHBondContact O-N 3.02Å; Q13-T456 PolarHBondContact O-OG1 2.88Å; F454-T456 HydrophobicContact CD2-CG2 3.7Å; F454-T456 HydrophobicContact CE2-CG2 4.14Å; T456-H458 PolarHBondContact OG1-CD2 3.49Å; T456-H458 PolarHBondContact OG1-NE2 2.85Å; T456-T488 WeakPolarHBondContact CG2-O 3.32Å; T456-L489 HydrophobicContact CG2-CD2 4.29Å |
| 457 | V | 74.8 | Confident | 55.1 | Low | 4 Ų | 4 | 75.3 Ų | 75.3 | 2% | 0.024 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 129.7 | 167.8 | 178.8 | 0 | 0 | 0 | 0 | 107.3 | V10 C54 S64 V67 | V10-V457 HydrophobicContact CG1-CG1 3.69Å; C54-V457 HydrophobicContact CB-CG2 4.3Å; C54-V457 WeakPolarHBondContact SG-CG2 3.46Å; S64-V457 WeakPolarHBondContact OG-CG2 3.35Å; V67-V457 HydrophobicContact CB-CB 4.2Å; V67-V457 HydrophobicContact CB-CG1 4.2Å; V67-V457 HydrophobicContact CG2-CB 3.8Å; V67-V457 HydrophobicContact CG2-CG1 4.3Å; V67-V457 HydrophobicContact CG2-CG2 4.46Å |
| 458 | H | 76.9 | Confident | 54.8 | Low | 16 Ų | 16 | 79.5 Ų | 79.5 | 7% | 0.074 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 145.7 | 175.5 | -70.4 | -108.3 | 0 | 0 | 0 | 109.1 | V10 S11 Q13 T456 Y487 | V10-H458 CarbonylContact C-O 3.56Å; V10-H458 VanDerWaalsContact CA-O 3.28Å; V10-H458 WeakPolarHBondContact CA-O 3.14Å; S11-H458 PolarHBondContact N-O 3.03Å; S11-H458 PolarHBondContact O-N 3.1Å; S11-H458 WeakPolarHBondContact OG-CB 3.42Å; Q13-H458 VanDerWaalsContact CB-CD2 3.48Å; Q13-H458 WeakPolarHBondContact CB-CD2 3.43Å; Q13-H458 WeakPolarHBondContact CB-NE2 3.28Å; Q13-H458 PolarHBondContact OE1-CE1 2.79Å; Q13-H458 PolarHBondContact OE1-NE2 2.93Å; Q13-H458 VanDerWaalsContact OE1-NE2 3.1Å; T456-H458 PolarHBondContact OG1-CD2 3.49Å; T456-H458 PolarHBondContact OG1-NE2 2.85Å; H458-Y487 AromaticContact CE1-CD1 3.52Å; H458-Y487 AromaticContact CE1-CE1 3.76Å; H458-Y487 AromaticContact ND1-CD1 3.94Å |
| 459 | Y | 75.3 | Confident | 53.9 | Low | 57 Ų | 57 | 74.1 Ų | 74.1 | 22% | 0.224 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 154.1 | 171.4 | 64.7 | -95.3 | 0 | 0 | 0 | 111.8 | F2 F9 V67 L69 | F2-Y459 HydrophobicContact CE1-CD2 4.27Å; F2-Y459 HydrophobicContact CE2-CD2 4.36Å; F2-Y459 AromaticContact CZ-CD2 3.47Å; F2-Y459 HydrophobicContact CZ-CD2 3.47Å; F2-Y459 VanDerWaalsContact CZ-CD2 3.47Å; F2-Y459 HydrophobicContact CZ-CE2 4.02Å; F2-Y459 HydrophobicContact CZ-CG 4.15Å; F9-Y459 CarbonylContact O-C 3.51Å; F9-Y459 WeakPolarHBondContact O-CA 3.47Å; F9-Y459 WeakPolarHBondContact O-CB 3.41Å; V67-Y459 HydrophobicContact CG1-CD1 3.8Å; V67-Y459 HydrophobicContact CG1-CE1 3.74Å; L69-Y459 HydrophobicContact CD2-CD1 4.13Å; L69-Y459 HydrophobicContact CD2-CG 4.29Å |
| 460 | S | 73.8 | Confident | 53.4 | Low | 22 Ų | 22 | 75.3 Ų | 75.3 | 15% | 0.154 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 158.6 | 170.9 | 68.5 | 0 | 0 | 0 | 0 | 110.4 | V8 F9 | V8-S460 WeakPolarHBondContact CA-O 3.49Å; F9-S460 PolarHBondContact N-O 3.41Å; F9-S460 PolarHBondContact O-N 2.02Å |
| 461 | R | 74.2 | Confident | 52.6 | Low | 70 Ų | 70 | 77.9 Ų | 77.9 | 26% | 0.264 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 153.2 | 169.7 | 63.5 | 175.5 | -175.6 | 167.4 | -3 | 110.5 | F2 E6 T7 S148 | F2-R461 HydrophobicContact CD1-CB 4.19Å; F2-R461 HydrophobicContact CE1-CB 3.99Å; E6-R461 IonicContact OE1-CZ 3.28Å; E6-R461 IonicContact OE1-NH1 2.86Å; E6-R461 PolarHBondContact OE1-NH1 2.93Å; T7-R461 WeakPolarHBondContact O-CA 3.49Å; S148-R461 PolarHBondContact O-NH1 3.44Å; S148-R461 PolarHBondContact O-NH2 2.78Å |
| 462 | M | 65.6 | Low | 51.7 | Low | 109 Ų | 109 | 81.7 Ų | 81.7 | 54% | 0.537 | 44% | 0.442 | S | S | . | . | P | Polyproline II helix | trans | -80 | 127.8 | 160.6 | -91.2 | 162.5 | 75.4 | 0 | 0 | 109.2 | T7 F9 S464 | T7-M462 HydrophobicContact CG2-SD 4.16Å; T7-M462 PolarHBondContact O-N 3.03Å; T7-M462 VanDerWaalsContact O-N 3.16Å; F9-M462 HydrophobicContact CE2-CG 3.82Å; F9-M462 HydrophobicContact CE2-SD 3.74Å; F9-M462 HydrophobicContact CZ-CG 4.46Å; F9-M462 HydrophobicContact CZ-SD 3.8Å; M462-S464 PolarHBondContact O-N 2.73Å |
| 463 | S | 52.2 | Low | 50.8 | Low | 61 Ų | 61 | 86.7 Ų | 86.7 | 43% | 0.427 | 46% | 0.46 | S | S | . | . | P | Polyproline II helix | trans | -63.9 | 125.2 | 169.1 | -49.1 | 0 | 0 | 0 | 0 | 108.7 | ||
| 464 | S | 40 | Very low | 49.3 | Very low | 68 Ų | 68 | 94.7 Ų | 94.7 | 48% | 0.476 | 49% | 0.485 | S | S | . | . | P | Polyproline II helix | trans | -60.9 | 136 | 170.3 | 179.4 | 0 | 0 | 0 | 0 | 109.7 | M462 D466 | M462-S464 PolarHBondContact O-N 2.73Å; S464-D466 PolarHBondContact O-N 2.85Å; S464-D466 PolarHBondContact OG-N 3.45Å |
| 465 | P | 39.2 | Very low | 47.4 | Very low | 122 Ų | 122 | 96.5 Ų | 96.5 | 79% | 0.792 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | -11.3 | 174 | 25.9 | -31.8 | 0 | 0 | 0 | 113.7 | Q467 | P465-Q467 VanDerWaalsContact C-N 3.33Å; P465-Q467 PolarHBondContact O-N 2.79Å |
| 466 | D | 31.1 | Very low | 45.8 | Very low | 139 Ų | 139 | 105 Ų | 105 | 74% | 0.743 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.9 | 22.1 | -177.7 | -68.2 | -29.9 | 0 | 0 | 0 | 114.7 | S464 V468 | S464-D466 PolarHBondContact O-N 2.85Å; S464-D466 PolarHBondContact OG-N 3.45Å; D466-V468 PolarHBondContact O-N 2.77Å |
| 467 | Q | 35 | Very low | 43.7 | Very low | 128 Ų | 128 | 116.5 Ų | 116.5 | 60% | 0.598 | 60% | 0.596 | S | S | * | * | S | Bend | trans | -70 | 101.3 | 161.1 | -73.9 | -168.5 | 17.4 | 0 | 0 | 108.2 | P465 Q469 | P465-Q467 VanDerWaalsContact C-N 3.33Å; P465-Q467 PolarHBondContact O-N 2.79Å; Q467-Q469 PolarHBondContact O-N 3.01Å |
| 468 | V | 26.1 | Very low | 41.4 | Very low | 133 Ų | 133 | 126 Ų | 126 | 81% | 0.806 | 64% | 0.637 | S | S | * | * | trans | -28.3 | 102 | 174.4 | 179.2 | 0 | 0 | 0 | 0 | 111.1 | D466 V470 | D466-V468 PolarHBondContact O-N 2.77Å; V468-V470 PolarHBondContact O-N 2.92Å; V468-V470 VanDerWaalsContact O-N 3.08Å | ||
| 469 | Q | 25.3 | Very low | 39.2 | Very low | 154 Ų | 154 | 131.2 Ų | 131.2 | 72% | 0.72 | 67% | 0.672 | S | S | * | * | trans | -66.2 | 104.4 | 166.7 | -75.2 | -171.2 | 1.4 | 0 | 0 | 107.4 | Q467 H471 | Q467-Q469 PolarHBondContact O-N 3.01Å; Q469-H471 VanDerWaalsContact C-N 3.29Å; Q469-H471 PolarHBondContact O-N 2.82Å; Q469-H471 PolarHBondContact OE1-ND1 3.28Å | ||
| 470 | V | 28 | Very low | 37 | Very low | 129 Ų | 129 | 139.9 Ų | 139.9 | 78% | 0.782 | 71% | 0.705 | S | S | * | * | trans | -70.3 | 98.3 | 156.2 | -179.2 | 0 | 0 | 0 | 0 | 105.6 | V468 N472 | V468-V470 PolarHBondContact O-N 2.92Å; V468-V470 VanDerWaalsContact O-N 3.08Å; V470-N472 PolarHBondContact O-N 2.82Å | ||
| 471 | H | 26 | Very low | 34.8 | Very low | 146 Ų | 146 | 145.9 Ų | 145.9 | 68% | 0.676 | 74% | 0.735 | S | S | * | * | trans | -60.6 | 108.4 | 174.6 | -117.9 | 53.6 | 0 | 0 | 0 | 108.7 | Q469 | Q469-H471 VanDerWaalsContact C-N 3.29Å; Q469-H471 PolarHBondContact O-N 2.82Å; Q469-H471 PolarHBondContact OE1-ND1 3.28Å | ||
| 472 | N | 26.1 | Very low | 32.8 | Very low | 158 Ų | 158 | 147 Ų | 147 | 85% | 0.845 | 75% | 0.753 | S | S | * | * | trans | -95.5 | 110.2 | 158.9 | -122.6 | -2.5 | 0 | 0 | 0 | 106.7 | V470 R474 | V470-N472 PolarHBondContact O-N 2.82Å; N472-R474 PolarHBondContact O-N 3.08Å | ||
| 473 | M | 30.6 | Very low | 31.3 | Very low | 170 Ų | 170 | 144.7 Ų | 144.7 | 84% | 0.837 | 75% | 0.748 | S | S | * | * | trans | -67.9 | 96.6 | 174 | -77.8 | -152.9 | -73 | 0 | 0 | 109.8 | ||||
| 474 | R | 26.7 | Very low | 30.5 | Very low | 242 Ų | 242 | 150.4 Ų | 150.4 | 91% | 0.913 | 77% | 0.765 | S | S | * | * | trans | -170.9 | 116.4 | 143.3 | -111.9 | 176.4 | -97.8 | -134.7 | 2.2 | 111.3 | N472 | N472-R474 PolarHBondContact O-N 3.08Š| ||
| 475 | G | 28.9 | Very low | 30.4 | Very low | 75 Ų | 75 | 150 Ų | 150 | 77% | 0.773 | 76% | 0.76 | S | S | * | * | trans | 61 | 103.8 | 144.7 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 476 | E | 33.9 | Very low | 30.5 | Very low | 194 Ų | 194 | 147.5 Ų | 147.5 | 91% | 0.907 | 74% | 0.742 | S | S | * | * | trans | 33.5 | 110.3 | 148.1 | -63.9 | -166.3 | 152.6 | 0 | 0 | 120.2 | ||||
| 477 | R | 29.2 | Very low | 30.8 | Very low | 250 Ų | 250 | 147.7 Ų | 147.7 | 94% | 0.943 | 73% | 0.733 | S | S | * | * | -173.2 | 134 | 126 | -101.6 | 162.2 | -174.7 | -168.9 | 2.7 | 110.6 | |||||
| 478 | K | 26.6 | Very low | 30.8 | Very low | 202 Ų | 202 | 144.4 Ų | 144.4 | 88% | 0.878 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 138.7 | 175.1 | -80.8 | 176.1 | 173.5 | 175.5 | 0 | 111.3 | ||
| 479 | P | 28.7 | Very low | 30.9 | Very low | 126 Ų | 126 | 143 Ų | 143 | 82% | 0.818 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 132.3 | 175.4 | 29.3 | -30.5 | 0 | 0 | 0 | 111 | ||
| 480 | R | 29.6 | Very low | 31.3 | Very low | 240 Ų | 240 | 141.6 Ų | 141.6 | 91% | 0.906 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 132.8 | 165.6 | -98.8 | 179.8 | 170.4 | 178.3 | -3 | 109.1 | S482 | R480-S482 PolarHBondContact O-N 3Å; R480-S482 VanDerWaalsContact O-N 3.17Å |
| 481 | D | 28.5 | Very low | 31.4 | Very low | 148 Ų | 148 | 140.2 Ų | 140.2 | 79% | 0.791 | 70% | 0.7 | S | S | * | * | trans | -57.8 | 109.1 | 174.4 | -168.4 | 7.9 | 0 | 0 | 0 | 110.5 | ||||
| 482 | S | 31.2 | Very low | 31.6 | Very low | 92 Ų | 92 | 140.4 Ų | 140.4 | 64% | 0.643 | 70% | 0.701 | S | S | * | * | trans | -101.2 | 74.5 | -177.9 | 50.9 | 0 | 0 | 0 | 0 | 110.6 | R480 K484 | R480-S482 PolarHBondContact O-N 3Å; R480-S482 VanDerWaalsContact O-N 3.17Å; S482-K484 PolarHBondContact O-N 3.26Å | ||
| 483 | S | 34 | Very low | 31.7 | Very low | 61 Ų | 61 | 138.6 Ų | 138.6 | 43% | 0.427 | 70% | 0.698 | S | S | . | * | trans | -74.2 | 111 | 166.4 | 55.2 | 0 | 0 | 0 | 0 | 109.5 | V485 | S483-V485 PolarHBondContact O-N 3.3Š| ||
| 484 | K | 36.5 | Very low | 31.8 | Very low | 182 Ų | 182 | 141.5 Ų | 141.5 | 79% | 0.791 | 70% | 0.699 | S | S | * | * | trans | -69.8 | 100.8 | 169.4 | -77 | -172.2 | 177.7 | -176.3 | 0 | 108.6 | S482 | S482-K484 PolarHBondContact O-N 3.26Š| ||
| 485 | V | 37.4 | Very low | 32.1 | Very low | 60 Ų | 60 | 142.6 Ų | 142.6 | 36% | 0.364 | 72% | 0.715 | S | S | . | * | trans | -92.3 | 122.6 | 172.6 | -176.9 | 0 | 0 | 0 | 0 | 108.1 | S483 Y487 | S483-V485 PolarHBondContact O-N 3.3Å; V485-Y487 HydrophobicContact CG1-CE1 3.96Å; V485-Y487 HydrophobicContact CG1-CE2 4.15Å | ||
| 486 | V | 41.5 | Very low | 32.3 | Very low | 69 Ų | 69 | 146 Ų | 146 | 42% | 0.418 | 71% | 0.712 | S | S | . | * | B | Isolated β-bridge | trans | -110.8 | 133.5 | 177 | -177.1 | 0 | 0 | 0 | 0 | 109.1 | ||
| 487 | Y | 36.6 | Very low | 32.2 | Very low | 142 Ų | 142 | 143.5 Ų | 143.5 | 56% | 0.557 | 70% | 0.701 | S | S | * | * | trans | -105.5 | 144.8 | -177.7 | -54.2 | -87.6 | 0 | 0 | 0 | 110.4 | H458 V485 | H458-Y487 AromaticContact CE1-CD1 3.52Å; H458-Y487 AromaticContact CE1-CE1 3.76Å; H458-Y487 AromaticContact ND1-CD1 3.94Å; V485-Y487 HydrophobicContact CG1-CE1 3.96Å; V485-Y487 HydrophobicContact CG1-CE2 4.15Å | ||
| 488 | T | 35.1 | Very low | 32.4 | Very low | 59 Ų | 59 | 137.6 Ų | 137.6 | 36% | 0.362 | 69% | 0.688 | S | S | . | * | trans | -116.8 | 124.7 | 164.6 | -51 | 0 | 0 | 0 | 0 | 107.4 | T456 | T456-T488 WeakPolarHBondContact CG2-O 3.32Š| ||
| 489 | L | 29.6 | Very low | 32.7 | Very low | 103 Ų | 103 | 133.8 Ų | 133.8 | 54% | 0.539 | 68% | 0.677 | S | S | . | * | trans | -131.8 | 131.3 | -179.2 | -69.6 | 172.1 | 0 | 0 | 0 | 109.7 | F454 T456 | F454-L489 HydrophobicContact CD2-CD2 3.81Å; F454-L489 HydrophobicContact CE1-CD2 3.98Å; F454-L489 HydrophobicContact CE2-CD2 3.15Å; F454-L489 HydrophobicContact CG-CD2 4.43Å; F454-L489 HydrophobicContact CZ-CD2 3.24Å; T456-L489 HydrophobicContact CG2-CD2 4.29Å | ||
| 490 | L | 32.1 | Very low | 33 | Very low | 125 Ų | 125 | 134.3 Ų | 134.3 | 65% | 0.654 | 67% | 0.668 | S | S | * | * | trans | -144.9 | 139.2 | 166.8 | -83.4 | 169.4 | 0 | 0 | 0 | 111 | ||||
| 491 | P | 31.1 | Very low | 33.2 | Very low | 101 Ų | 101 | 127.2 Ų | 127.2 | 66% | 0.656 | 65% | 0.652 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 149.4 | 173.2 | 32.2 | -31.6 | 0 | 0 | 0 | 112.5 | ||
| 492 | Q | 30.9 | Very low | 33.6 | Very low | 150 Ų | 150 | 125.7 Ų | 125.7 | 70% | 0.701 | 64% | 0.642 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 146.1 | 175.4 | -107.6 | -177.1 | -22.5 | 0 | 0 | 112.3 | ||
| 493 | P | 28.3 | Very low | 33.7 | Very low | 120 Ų | 120 | 128.3 Ų | 128.3 | 78% | 0.779 | 64% | 0.642 | S | S | * | * | P | Polyproline II helix | trans | -72 | 133.3 | 163.1 | 17.7 | -7.8 | 0 | 0 | 0 | 109.6 | ||
| 494 | R | 32.6 | Very low | 33.7 | Very low | 230 Ų | 230 | 133.9 Ų | 133.9 | 87% | 0.868 | 66% | 0.66 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 133.5 | 175 | -67.6 | -177.5 | 176.9 | -178.5 | -0.7 | 109.3 | ||
| 495 | H | 33 | Very low | 33.5 | Very low | 266 Ų | 266 | 129.5 Ų | 129.5 | 100% | 1.231 | 65% | 0.648 | S | S | * | * | trans | -79 | 0 | 156.5 | -83.8 | -59.3 | 0 | 0 | 0 | 109.7 |
Retrieved 495 of 495 residues in 515.1 ms
(Link to these results)