| 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 | 33.1 | Very low | 77.8 | Confident | 246 Ų | 246 | 90.3 Ų | 90.3 | 100% | 1.212 | 50% | 0.504 | S | S | * | . | 0 | 97.5 | 0 | -130.7 | -179.3 | -89.4 | 0 | 0 | 105.8 | S3 | M1-S3 PolarHBondContact O-N 2.74Š| |||
| 2 | V | 40.1 | Very low | 79.4 | Confident | 138 Ų | 138 | 82.8 Ų | 82.8 | 84% | 0.836 | 46% | 0.462 | S | S | * | . | P | Polyproline II helix | trans | -71.2 | 119.8 | 174.5 | -177.4 | 0 | 0 | 0 | 0 | 105.7 | R4 | V2-R4 PolarHBondContact O-N 2.88Å; V2-R4 VanDerWaalsContact O-N 3.13Å |
| 3 | S | 51.3 | Low | 80.7 | Confident | 107 Ų | 107 | 80.8 Ų | 80.8 | 75% | 0.748 | 45% | 0.445 | S | S | * | . | P | Polyproline II helix | trans | -56 | 119.2 | 175.4 | 53 | 0 | 0 | 0 | 0 | 108.2 | M1 F5 | M1-S3 PolarHBondContact O-N 2.74Å; S3-F5 PolarHBondContact O-N 2.65Å |
| 4 | R | 75.6 | Confident | 81.9 | Confident | 158 Ų | 158 | 81 Ų | 81 | 60% | 0.596 | 44% | 0.44 | S | S | * | . | P | Polyproline II helix | trans | -65 | 130.2 | 174.9 | -68.8 | -176.9 | -178.9 | -173.1 | -0 | 107.6 | V2 | V2-R4 PolarHBondContact O-N 2.88Å; V2-R4 VanDerWaalsContact O-N 3.13Å |
| 5 | F | 87.6 | Confident | 82.9 | Confident | 57 Ų | 57 | 75.9 Ų | 75.9 | 25% | 0.25 | 41% | 0.412 | C | S | . | . | P | Polyproline II helix | trans | -71 | 129.1 | 173.6 | -152.6 | -95.6 | 0 | 0 | 0 | 107.8 | S3 H7 N441 Q462 P464 | S3-F5 PolarHBondContact O-N 2.65Å; F5-H7 AromaticContact CD1-CE1 3.6Å; F5-H7 AromaticContact CD1-NE2 3.76Å; F5-H7 AromaticContact CE1-CE1 3.65Å; F5-N441 PolarHBondContact O-ND2 2.97Å; F5-Q462 HydrophobicContact CD1-CG 4.47Å; F5-Q462 VanDerWaalsContact CD1-NE2 3.31Å; F5-Q462 HydrophobicContact CD2-CG 4.21Å; F5-Q462 HydrophobicContact CE1-CG 4.12Å; F5-Q462 HydrophobicContact CE2-CG 3.84Å; F5-Q462 HydrophobicContact CG-CG 4.5Å; F5-Q462 HydrophobicContact CZ-CG 3.77Å; F5-P464 HydrophobicContact CZ-CB 4.33Å; F5-P464 HydrophobicContact CZ-CG 4.19Å |
| 6 | E | 94.1 | Very high | 83.9 | Confident | 75 Ų | 75 | 71.4 Ų | 71.4 | 35% | 0.35 | 39% | 0.387 | S | S | . | . | trans | -120.5 | 149.7 | -173.3 | -57.8 | -76 | 153.5 | 0 | 0 | 109.3 | P8 W351 K355 | E6-P8 VanDerWaalsContact O-CD 3.32Å; E6-P8 WeakPolarHBondContact O-CD 3.45Å; E6-W351 PolarHBondContact OE2-NE1 3.19Å; E6-K355 IonicContact OE1-NZ 3.65Å; E6-K355 IonicContact OE2-NZ 2.59Å; E6-K355 PolarHBondContact OE2-NZ 3.36Å | ||
| 7 | H | 95.4 | Very high | 84.7 | Confident | 0 Ų | 0 | 72 Ų | 72 | 0% | 0 | 39% | 0.387 | C | S | . | . | trans | -120.9 | 55.9 | 179.5 | -60.8 | -75.4 | 0 | 0 | 0 | 112 | F5 A9 G10 Y12 W351 D446 E465 Y467 | F5-H7 AromaticContact CD1-CE1 3.6Å; F5-H7 AromaticContact CD1-NE2 3.76Å; F5-H7 AromaticContact CE1-CE1 3.65Å; H7-A9 PolarHBondContact O-N 3.47Å; H7-A9 VanDerWaalsContact O-N 3.17Å; H7-G10 PolarHBondContact O-N 2.89Å; H7-Y12 HydrophobicContact CB-CD1 3.9Å; H7-Y12 HydrophobicContact CB-CE1 3.93Å; H7-W351 HydrophobicContact CB-CD2 4.06Å; H7-W351 HydrophobicContact CB-CE3 4.24Å; H7-W351 HydrophobicContact CB-CG 4.28Å; H7-W351 VanDerWaalsContact O-CB 3.29Å; H7-W351 WeakPolarHBondContact O-CB 3.3Å; H7-D446 VanDerWaalsContact NE2-CB 3.33Å; H7-D446 WeakPolarHBondContact NE2-CB 3.47Å; H7-D446 IonicContact NE2-OD2 2.69Å; H7-E465 IonicContact ND1-OE1 3.95Å; H7-Y467 AromaticContact CE1-CE1 3.85Å; H7-Y467 AromaticContact ND1-CE1 3.66Å | ||
| 8 | P | 94.5 | Very high | 85.4 | Confident | 109 Ų | 109 | 70.8 Ų | 70.8 | 71% | 0.708 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -26.2 | -172.1 | 28 | -36.1 | 0 | 0 | 0 | 113.4 | E6 G10 | E6-P8 VanDerWaalsContact O-CD 3.32Å; E6-P8 WeakPolarHBondContact O-CD 3.45Å; P8-G10 PolarHBondContact O-N 2.88Å |
| 9 | A | 94.2 | Very high | 86 | Confident | 77 Ų | 77 | 67.9 Ų | 67.9 | 64% | 0.636 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | -18.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | H7 S11 E465 | H7-A9 PolarHBondContact O-N 3.47Å; H7-A9 VanDerWaalsContact O-N 3.17Å; A9-S11 PolarHBondContact O-N 3.34Å; A9-E465 WeakPolarHBondContact CB-OE2 3.4Å |
| 10 | G | 94.4 | Very high | 86.6 | Confident | 7 Ų | 7 | 72.7 Ų | 72.7 | 7% | 0.072 | 39% | 0.388 | C | S | . | . | trans | 64.8 | 24.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | H7 P8 Y12 K13 | H7-G10 PolarHBondContact O-N 2.89Å; P8-G10 PolarHBondContact O-N 2.88Å; G10-Y12 PolarHBondContact O-N 2.6Å; G10-K13 WeakPolarHBondContact O-CD 3.37Å; G10-K13 WeakPolarHBondContact O-CG 3.38Å; G10-K13 PolarHBondContact O-N 2.82Å | ||
| 11 | S | 95.5 | Very high | 87.1 | Confident | 19 Ų | 19 | 72.6 Ų | 72.6 | 13% | 0.133 | 39% | 0.385 | C | S | . | . | G | 310 helix | trans | -72.2 | -15.1 | -172.9 | 73.3 | 0 | 0 | 0 | 0 | 113 | A9 K13 K14 E465 Y467 P494 | A9-S11 PolarHBondContact O-N 3.34Å; S11-K13 PolarHBondContact O-N 3.27Å; S11-K14 WeakPolarHBondContact O-CB 3.35Å; S11-K14 WeakPolarHBondContact O-CG 3.17Å; S11-K14 PolarHBondContact O-N 2.88Å; S11-E465 VanDerWaalsContact CB-OE2 3.25Å; S11-E465 WeakPolarHBondContact CB-OE2 3.49Å; S11-E465 PolarHBondContact OG-OE2 2.82Å; S11-Y467 VanDerWaalsContact OG-CE2 3.23Å; S11-Y467 WeakPolarHBondContact OG-CE2 3.01Å; S11-Y467 PolarHBondContact OG-OH 3.03Å; S11-P494 WeakPolarHBondContact O-CG 3.4Å |
| 12 | Y | 96.6 | Very high | 90.1 | Very high | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 33% | 0.334 | C | S | . | . | G | 310 helix | trans | -53 | -25.6 | 170.4 | 53.5 | -100.1 | 0 | 0 | 0 | 112.9 | H7 G10 K14 I15 F16 L347 A349 W351 V354 I444 Y467 | H7-Y12 HydrophobicContact CB-CD1 3.9Å; H7-Y12 HydrophobicContact CB-CE1 3.93Å; G10-Y12 PolarHBondContact O-N 2.6Å; Y12-K14 PolarHBondContact O-N 2.63Å; Y12-I15 WeakPolarHBondContact O-CG1 3.37Å; Y12-I15 PolarHBondContact O-N 2.84Å; Y12-F16 HydrophobicContact CD2-CE2 4.37Å; Y12-L347 WeakPolarHBondContact CD2-O 3.32Å; Y12-L347 VanDerWaalsContact CE2-O 3.24Å; Y12-L347 WeakPolarHBondContact CE2-O 3.22Å; Y12-A349 PolarHBondContact OH-O 2.9Å; Y12-W351 HydrophobicContact CE1-CB 4.34Å; Y12-W351 AromaticContact CE1-CE3 3.99Å; Y12-W351 HydrophobicContact CE1-CE3 3.99Å; Y12-W351 VanDerWaalsContact OH-CA 3.26Å; Y12-W351 WeakPolarHBondContact OH-CA 3.41Å; Y12-W351 PolarHBondContact OH-N 3.39Å; Y12-V354 HydrophobicContact CE2-CG2 4.2Å; Y12-V354 WeakPolarHBondContact OH-CG2 3.4Å; Y12-I444 HydrophobicContact CD1-CG1 4.43Å; Y12-I444 HydrophobicContact CD1-CG2 4.07Å; Y12-I444 HydrophobicContact CD2-CD1 3.75Å; Y12-I444 HydrophobicContact CD2-CG1 4.4Å; Y12-I444 HydrophobicContact CE2-CD1 4.08Å; Y12-I444 HydrophobicContact CG-CD1 4.07Å; Y12-I444 HydrophobicContact CG-CG1 4.33Å; Y12-I444 HydrophobicContact CG-CG2 3.92Å; Y12-Y467 VanDerWaalsContact CA-CZ 3.5Å; Y12-Y467 HydrophobicContact CD1-CE1 4.3Å; Y12-Y467 HydrophobicContact CG-CE1 4.43Å; Y12-Y467 VanDerWaalsContact N-CE2 3.29Å; Y12-Y467 PolarHBondContact N-OH 3.15Å |
| 13 | K | 97.3 | Very high | 92.8 | Very high | 57 Ų | 57 | 60.6 Ų | 60.6 | 25% | 0.248 | 34% | 0.336 | C | S | . | . | G | 310 helix | trans | -52 | -30.4 | 177 | -65.4 | 175.7 | -167.2 | -164.1 | 0 | 112.7 | G10 S11 I15 F16 R348 A349 N350 | G10-K13 WeakPolarHBondContact O-CD 3.37Å; G10-K13 WeakPolarHBondContact O-CG 3.38Å; G10-K13 PolarHBondContact O-N 2.82Å; S11-K13 PolarHBondContact O-N 3.27Å; K13-I15 VanDerWaalsContact C-N 3.25Å; K13-I15 PolarHBondContact O-N 2.9Å; K13-F16 PolarHBondContact O-N 2.84Å; K13-R348 WeakPolarHBondContact CD-O 3.49Å; K13-R348 WeakPolarHBondContact CE-O 3.37Å; K13-R348 PolarHBondContact NZ-O 3.42Å; K13-A349 VanDerWaalsContact CE-O 3.32Å; K13-A349 WeakPolarHBondContact CE-O 3.24Å; K13-N350 PolarHBondContact NZ-OD1 3.37Å |
| 14 | K | 96.8 | Very high | 95 | Very high | 84 Ų | 84 | 62.4 Ų | 62.4 | 37% | 0.365 | 33% | 0.332 | S | S | . | . | G | 310 helix | trans | -63.7 | -25.1 | 179.9 | -66.4 | -77.1 | 168.9 | -147.1 | 0 | 113.9 | S11 Y12 F16 E17 P494 | S11-K14 WeakPolarHBondContact O-CB 3.35Å; S11-K14 WeakPolarHBondContact O-CG 3.17Å; S11-K14 PolarHBondContact O-N 2.88Å; Y12-K14 PolarHBondContact O-N 2.63Å; K14-F16 PolarHBondContact O-N 3.24Å; K14-E17 WeakPolarHBondContact CD-OE1 3.45Å; K14-E17 WeakPolarHBondContact CD-OE2 3.46Å; K14-E17 WeakPolarHBondContact CE-OE1 3.4Å; K14-E17 IonicContact NZ-OE1 3.29Å; K14-E17 PolarHBondContact NZ-OE1 3.09Å; K14-E17 IonicContact NZ-OE2 2.82Å; K14-E17 PolarHBondContact NZ-OE2 3.41Å; K14-E17 PolarHBondContact O-N 2.73Å; K14-P494 HydrophobicContact CB-CB 3.82Å; K14-P494 HydrophobicContact CB-CG 4.06Å; K14-P494 HydrophobicContact CG-CB 3.61Å; K14-P494 HydrophobicContact CG-CG 4.13Å |
| 15 | I | 97.3 | Very high | 96 | Very high | 4 Ų | 4 | 58 Ų | 58 | 2% | 0.021 | 32% | 0.324 | C | S | . | . | G | 310 helix | trans | -75 | -9.3 | 175.3 | 81.5 | -165.4 | 0 | 0 | 0 | 112 | Y12 K13 P445 Y467 A492 P523 V524 | Y12-I15 WeakPolarHBondContact O-CG1 3.37Å; Y12-I15 PolarHBondContact O-N 2.84Å; K13-I15 VanDerWaalsContact C-N 3.25Å; K13-I15 PolarHBondContact O-N 2.9Å; I15-P445 HydrophobicContact CD1-CG 3.82Å; I15-Y467 HydrophobicContact CG2-CD2 4.34Å; I15-Y467 HydrophobicContact CG2-CG 4.44Å; I15-A492 HydrophobicContact CG2-CB 3.52Å; I15-P523 CarbonylContact O-C 3.54Å; I15-P523 WeakPolarHBondContact O-CA 3.37Å; I15-P523 WeakPolarHBondContact O-CB 3.48Å; I15-V524 HydrophobicContact CB-CB 4.25Å; I15-V524 HydrophobicContact CG1-CB 4.1Å; I15-V524 PolarHBondContact O-N 2.88Å |
| 16 | F | 98.1 | Very high | 96.5 | Very high | 5 Ų | 5 | 57.7 Ų | 57.7 | 2% | 0.022 | 33% | 0.325 | C | S | . | . | G | 310 helix | trans | -112.2 | 23.7 | 177.1 | -47.6 | -63.3 | 0 | 0 | 0 | 111.9 | Y12 K13 K14 F50 L60 L344 L347 R348 V524 | Y12-F16 HydrophobicContact CD2-CE2 4.37Å; K13-F16 PolarHBondContact O-N 2.84Å; K14-F16 PolarHBondContact O-N 3.24Å; F16-F50 VanDerWaalsContact C-CE2 3.48Å; F16-F50 WeakPolarHBondContact O-CD2 3.16Å; F16-L60 HydrophobicContact CD1-CD1 4.04Å; F16-L60 HydrophobicContact CE1-CD1 3.83Å; F16-L344 HydrophobicContact CB-CD2 4.1Å; F16-L344 HydrophobicContact CD1-CD2 4.12Å; F16-L344 HydrophobicContact CG-CD2 4.29Å; F16-L347 HydrophobicContact CD2-CB 4.23Å; F16-L347 HydrophobicContact CE1-CB 4.4Å; F16-L347 HydrophobicContact CE1-CD1 4.07Å; F16-L347 HydrophobicContact CE2-CB 3.76Å; F16-L347 HydrophobicContact CZ-CB 3.85Å; F16-L347 HydrophobicContact CZ-CD1 4.13Å; F16-L347 HydrophobicContact CZ-CG 4.41Å; F16-R348 HydrophobicContact CB-CG 4.01Å; F16-R348 HydrophobicContact CD2-CG 4.11Å; F16-R348 HydrophobicContact CG-CG 4.41Å; F16-R348 VanDerWaalsContact O-CZ 3.26Å; F16-R348 PolarHBondContact O-NE 2.94Å; F16-R348 VanDerWaalsContact O-NE 3.16Å; F16-R348 PolarHBondContact O-NH2 3.34Å; F16-V524 HydrophobicContact CD1-CG1 4.11Å; F16-V524 HydrophobicContact CE1-CB 4.47Å; F16-V524 HydrophobicContact CE1-CG1 4.22Å |
| 17 | E | 97.4 | Very high | 96.7 | Very high | 81 Ų | 81 | 59.3 Ų | 59.3 | 38% | 0.379 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -105.4 | 144.7 | 178.2 | -72.5 | -178.8 | -166.8 | 0 | 0 | 111.5 | K14 F50 | K14-E17 WeakPolarHBondContact CD-OE1 3.45Å; K14-E17 WeakPolarHBondContact CD-OE2 3.46Å; K14-E17 WeakPolarHBondContact CE-OE1 3.4Å; K14-E17 IonicContact NZ-OE1 3.29Å; K14-E17 PolarHBondContact NZ-OE1 3.09Å; K14-E17 IonicContact NZ-OE2 2.82Å; K14-E17 PolarHBondContact NZ-OE2 3.41Å; K14-E17 PolarHBondContact O-N 2.73Å; E17-F50 VanDerWaalsContact C-CD2 3.49Å; E17-F50 WeakPolarHBondContact O-CE2 3.25Å |
| 18 | T | 98.3 | Very high | 96.8 | Very high | 51 Ų | 51 | 60.3 Ų | 60.3 | 31% | 0.313 | 35% | 0.348 | S | S | . | . | trans | -60.2 | 142.6 | 176.8 | -69.3 | 0 | 0 | 0 | 0 | 110.8 | G48 L49 F50 E51 | T18-G48 WeakPolarHBondContact CA-O 3.21Å; T18-L49 HydrophobicContact CG2-CD1 3.42Å; T18-L49 VanDerWaalsContact CG2-CD1 3.42Å; T18-F50 PolarHBondContact OG1-N 3.23Å; T18-E51 WeakPolarHBondContact CB-OE1 3.42Å; T18-E51 PolarHBondContact OG1-OE1 2.95Å; T18-E51 PolarHBondContact OG1-OE2 2.95Å | ||
| 19 | C | 96.6 | Very high | 96.9 | Very high | 15 Ų | 15 | 57.8 Ų | 57.8 | 10% | 0.101 | 33% | 0.331 | C | S | . | . | trans | -135.8 | 151.3 | 174.7 | 73.6 | 0 | 0 | 0 | 0 | 111.6 | G48 L66 R81 F83 P523 | C19-G48 PolarHBondContact N-O 2.71Å; C19-L66 WeakPolarHBondContact SG-CD2 3.34Å; C19-R81 PolarHBondContact SG-NH1 2.71Å; C19-F83 VanDerWaalsContact O-CZ 3.31Å; C19-F83 WeakPolarHBondContact O-CZ 3.39Å; C19-P523 VanDerWaalsContact SG-CD 3.6Å | ||
| 20 | E | 97.1 | Very high | 97.1 | Very high | 163 Ų | 163 | 56.7 Ų | 56.7 | 76% | 0.762 | 32% | 0.316 | S | S | * | . | P | Polyproline II helix | trans | -83.2 | 150.2 | 179 | -61.2 | -175.9 | 162.6 | 0 | 0 | 111.5 | R81 | E20-R81 PolarHBondContact O-NE 3.23Å; E20-R81 PolarHBondContact O-NH2 3.29Å |
| 21 | E | 96.9 | Very high | 97.2 | Very high | 72 Ų | 72 | 59.9 Ų | 59.9 | 34% | 0.336 | 33% | 0.334 | S | S | . | . | P | Polyproline II helix | trans | -66 | 161.1 | 169.9 | 63.3 | -176.8 | -167.7 | 0 | 0 | 112.2 | F83 R85 | E21-F83 HydrophobicContact CB-CD2 4.12Å; E21-F83 HydrophobicContact CB-CE2 4.49Å; E21-R85 IonicContact OE1-CZ 2.72Å; E21-R85 IonicContact OE1-NH2 2.76Å; E21-R85 PolarHBondContact OE1-NH2 2.72Å; E21-R85 IonicContact OE2-CZ 3.73Å; E21-R85 VanDerWaalsContact OE2-CZ 3.22Å; E21-R85 IonicContact OE2-NH1 3.69Å; E21-R85 PolarHBondContact OE2-NH1 2.99Å; E21-R85 IonicContact OE2-NH2 2.73Å; E21-R85 PolarHBondContact OE2-NH2 2.73Å |
| 22 | L | 97.9 | Very high | 97.3 | Very high | 28 Ų | 28 | 61.8 Ų | 61.8 | 15% | 0.147 | 36% | 0.356 | C | S | . | . | P | Polyproline II helix | trans | -99.6 | 140.2 | 177.4 | -64.2 | 172 | 0 | 0 | 0 | 109.6 | L26 Y79 Y80 R81 | L22-L26 HydrophobicContact CD1-CD1 3.71Å; L22-L26 HydrophobicContact CD1-CG 3.89Å; L22-L26 HydrophobicContact CD2-CD1 3.77Å; L22-L26 HydrophobicContact CD2-CG 4.18Å; L22-L26 HydrophobicContact CG-CD1 4.41Å; L22-Y79 HydrophobicContact CD1-CD1 3.91Å; L22-Y79 HydrophobicContact CD1-CE1 3.86Å; L22-Y80 HydrophobicContact CB-CD2 3.84Å; L22-Y80 HydrophobicContact CB-CE2 3.94Å; L22-Y80 WeakPolarHBondContact O-CE2 3.47Å; L22-R81 HydrophobicContact CD1-CG 3.85Å; L22-R81 HydrophobicContact CG-CG 3.85Å; L22-R81 PolarHBondContact N-O 3.06Å; L22-R81 VanDerWaalsContact N-O 3.12Å |
| 23 | A | 96.4 | Very high | 97.4 | Very high | 104 Ų | 104 | 71.5 Ų | 71.5 | 86% | 0.86 | 39% | 0.393 | S | S | * | . | S | Bend | trans | -76 | -31.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||
| 24 | E | 96.6 | Very high | 97.4 | Very high | 144 Ų | 144 | 69.2 Ų | 69.2 | 67% | 0.673 | 38% | 0.383 | S | S | * | . | S | Bend | trans | -144.7 | 158.6 | 179.1 | 63.3 | -173.7 | 165.7 | 0 | 0 | 111.2 | L26 | E24-L26 PolarHBondContact O-N 2.84Š|
| 25 | P | 97.9 | Very high | 97.4 | Very high | 65 Ų | 65 | 66.3 Ų | 66.3 | 42% | 0.422 | 37% | 0.373 | S | S | . | . | P | Polyproline II helix | trans | -61 | 130.1 | 175 | -23.2 | 34.4 | 0 | 0 | 0 | 112.2 | Y79 Y80 | P25-Y79 CarbonylContact C-O 3.5Å; P25-Y79 WeakPolarHBondContact CA-O 3.32Å; P25-Y80 HydrophobicContact CB-CD2 4.48Å; P25-Y80 HydrophobicContact CB-CG 4.49Å; P25-Y80 HydrophobicContact CG-CD2 4.15Å; P25-Y80 HydrophobicContact CG-CG 4.12Å |
| 26 | L | 97.5 | Very high | 97.3 | Very high | 52 Ų | 52 | 70.6 Ų | 70.6 | 27% | 0.272 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 137.7 | 175.6 | -63.5 | 177.1 | 0 | 0 | 0 | 110.7 | L22 E24 T78 Y79 | L22-L26 HydrophobicContact CD1-CD1 3.71Å; L22-L26 HydrophobicContact CD1-CG 3.89Å; L22-L26 HydrophobicContact CD2-CD1 3.77Å; L22-L26 HydrophobicContact CD2-CG 4.18Å; L22-L26 HydrophobicContact CG-CD1 4.41Å; E24-L26 PolarHBondContact O-N 2.84Å; L26-T78 CarbonylContact O-C 3.53Å; L26-T78 VanDerWaalsContact O-CA 3.28Å; L26-T78 WeakPolarHBondContact O-CA 3.33Å; L26-T78 WeakPolarHBondContact O-CB 3.29Å; L26-Y79 PolarHBondContact N-O 2.89Å; L26-Y79 PolarHBondContact O-N 3.12Å |
| 27 | P | 96.9 | Very high | 97.2 | Very high | 109 Ų | 109 | 72.8 Ų | 72.8 | 71% | 0.708 | 41% | 0.413 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 150 | 165.9 | 30.7 | -33.9 | 0 | 0 | 0 | 109.8 | ||
| 28 | T | 97.9 | Very high | 97.1 | Very high | 21 Ų | 21 | 69 Ų | 69 | 13% | 0.129 | 40% | 0.395 | C | S | . | . | trans | -106 | 156.8 | 171.8 | 66.7 | 0 | 0 | 0 | 0 | 110.9 | F70 V77 A516 E517 V518 | T28-F70 HydrophobicContact CG2-CE1 4.32Å; T28-V77 WeakPolarHBondContact CB-O 3.38Å; T28-V77 HydrophobicContact CG2-CB 4.4Å; T28-V77 HydrophobicContact CG2-CG1 4.31Å; T28-V77 WeakPolarHBondContact CG2-O 3.33Å; T28-V77 PolarHBondContact N-O 3.01Å; T28-V77 WeakPolarHBondContact OG1-CB 3.2Å; T28-V77 PolarHBondContact OG1-O 2.82Å; T28-A516 HydrophobicContact CG2-CB 4.2Å; T28-A516 WeakPolarHBondContact OG1-CB 3.26Å; T28-E517 CarbonylContact C-O 3.58Å; T28-E517 VanDerWaalsContact CA-O 3.25Å; T28-E517 WeakPolarHBondContact CA-O 3.25Å; T28-E517 WeakPolarHBondContact CB-O 3.42Å; T28-V518 HydrophobicContact CG2-CG1 3.69Å | ||
| 29 | T | 97.5 | Very high | 97.1 | Very high | 56 Ų | 56 | 72.3 Ų | 72.3 | 34% | 0.344 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 119.8 | 165.9 | -58.5 | 0 | 0 | 0 | 0 | 109.6 | R498 E517 | T29-R498 PolarHBondContact OG1-NH2 3.23Å; T29-E517 PolarHBondContact N-O 3.05Å; T29-E517 PolarHBondContact O-N 3.48Å |
| 30 | V | 97.7 | Very high | 97.1 | Very high | 54 Ų | 54 | 72.1 Ų | 72.1 | 33% | 0.327 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 127.5 | -176.8 | 176.4 | 0 | 0 | 0 | 0 | 110.6 | I34 R515 A516 | V30-I34 HydrophobicContact CG1-CD1 3.96Å; V30-I34 HydrophobicContact CG1-CG1 3.83Å; V30-I34 HydrophobicContact CG2-CG1 4.41Å; V30-R515 WeakPolarHBondContact CA-O 3.2Å; V30-A516 HydrophobicContact CG2-CB 4.26Å |
| 31 | T | 97.5 | Very high | 97.1 | Very high | 74 Ų | 74 | 64.7 Ų | 64.7 | 45% | 0.454 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 138.7 | 166 | -60.8 | 0 | 0 | 0 | 0 | 108.6 | A514 R515 | T31-A514 CarbonylContact O-C 3.12Å; T31-A514 WeakPolarHBondContact O-CA 3.47Å; T31-A514 WeakPolarHBondContact O-CB 3.11Å; T31-R515 PolarHBondContact N-O 3.2Å; T31-R515 PolarHBondContact O-N 2.81Å |
| 32 | G | 97.6 | Very high | 97.2 | Very high | 58 Ų | 58 | 61.4 Ų | 61.4 | 60% | 0.598 | 36% | 0.357 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 82.8 | -157.5 | -171.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 33 | R | 97.8 | Very high | 97.3 | Very high | 204 Ų | 204 | 60 Ų | 60 | 77% | 0.77 | 35% | 0.35 | S | S | * | . | trans | -129.2 | 110 | -178.4 | -174.1 | -178.7 | -177.8 | -155.7 | 0.4 | 111.1 | P35 I513 | R33-P35 WeakPolarHBondContact O-CD 3.35Å; R33-I513 PolarHBondContact N-O 2.84Å; R33-I513 WeakPolarHBondContact O-CG2 2.98Å | ||
| 34 | I | 98.1 | Very high | 97.4 | Very high | 10 Ų | 10 | 55.1 Ų | 55.1 | 5% | 0.051 | 31% | 0.309 | C | S | . | . | trans | -59 | 124.4 | 173.7 | -50.5 | -63.2 | 0 | 0 | 0 | 109.2 | V30 S36 L38 F72 G75 V77 I504 A514 | V30-I34 HydrophobicContact CG1-CD1 3.96Å; V30-I34 HydrophobicContact CG1-CG1 3.83Å; V30-I34 HydrophobicContact CG2-CG1 4.41Å; I34-S36 PolarHBondContact O-N 3.13Å; I34-L38 HydrophobicContact CG2-CB 4.42Å; I34-L38 HydrophobicContact CG2-CD1 4.32Å; I34-F72 HydrophobicContact CG2-CD1 4.09Å; I34-G75 WeakPolarHBondContact CG1-O 3.49Å; I34-V77 HydrophobicContact CD1-CG2 3.92Å; I34-V77 HydrophobicContact CG1-CG2 4.13Å; I34-I504 HydrophobicContact CD1-CD1 3.49Å; I34-I504 VanDerWaalsContact CD1-CD1 3.49Å; I34-I504 HydrophobicContact CG2-CD1 4.2Å; I34-A514 HydrophobicContact CD1-CB 3.78Å | ||
| 35 | P | 96.7 | Very high | 97.5 | Very high | 23 Ų | 23 | 48.3 Ų | 48.3 | 15% | 0.149 | 28% | 0.277 | C | S | . | . | trans | -55.7 | 133 | 175.8 | -25.7 | 32.2 | 0 | 0 | 0 | 112.1 | R33 F37 L38 V486 I513 | R33-P35 WeakPolarHBondContact O-CD 3.35Å; P35-F37 HydrophobicContact CB-CD1 3.71Å; P35-F37 HydrophobicContact CB-CE1 3.43Å; P35-F37 VanDerWaalsContact CB-CE1 3.43Å; P35-F37 HydrophobicContact CB-CG 4.49Å; P35-F37 HydrophobicContact CB-CZ 4.01Å; P35-F37 HydrophobicContact CG-CE1 4.28Å; P35-F37 PolarHBondContact O-N 3.38Å; P35-F37 VanDerWaalsContact O-N 3.13Å; P35-L38 HydrophobicContact CB-CD1 4.37Å; P35-L38 HydrophobicContact CB-CG 4.26Å; P35-L38 HydrophobicContact CG-CD1 4.16Å; P35-L38 WeakPolarHBondContact O-CB 3.3Å; P35-L38 PolarHBondContact O-N 3.23Å; P35-V486 HydrophobicContact CG-CG1 4.24Å; P35-I513 HydrophobicContact CG-CG2 4.09Å | ||
| 36 | S | 95.1 | Very high | 97.5 | Very high | 94 Ų | 94 | 45.2 Ų | 45.2 | 66% | 0.657 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | -16.8 | -174 | 54.1 | 0 | 0 | 0 | 0 | 114.5 | I34 K39 | I34-S36 PolarHBondContact O-N 3.13Å; S36-K39 VanDerWaalsContact O-CE 3.3Å; S36-K39 WeakPolarHBondContact O-CE 3.19Å |
| 37 | F | 95.3 | Very high | 97.5 | Very high | 50 Ų | 50 | 42.7 Ų | 42.7 | 22% | 0.219 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81 | -17.4 | 175.7 | 71.5 | -99.5 | 0 | 0 | 0 | 112.7 | P35 K39 V474 T476 P477 V486 | P35-F37 HydrophobicContact CB-CD1 3.71Å; P35-F37 HydrophobicContact CB-CE1 3.43Å; P35-F37 VanDerWaalsContact CB-CE1 3.43Å; P35-F37 HydrophobicContact CB-CG 4.49Å; P35-F37 HydrophobicContact CB-CZ 4.01Å; P35-F37 HydrophobicContact CG-CE1 4.28Å; P35-F37 PolarHBondContact O-N 3.38Å; P35-F37 VanDerWaalsContact O-N 3.13Å; F37-K39 PolarHBondContact O-N 2.94Å; F37-V474 HydrophobicContact CE2-CG1 4.3Å; F37-T476 HydrophobicContact CD1-CG2 4.27Å; F37-T476 HydrophobicContact CE1-CG2 4.13Å; F37-P477 HydrophobicContact CB-CG 3.83Å; F37-P477 HydrophobicContact CG-CG 4.33Å; F37-V486 HydrophobicContact CE2-CG2 4.33Å; F37-V486 HydrophobicContact CZ-CG1 4.1Å; F37-V486 HydrophobicContact CZ-CG2 4.11Å |
| 38 | L | 96.6 | Very high | 97.6 | Very high | 2 Ų | 2 | 37.5 Ų | 37.5 | 1% | 0.01 | 21% | 0.21 | C | C | . | . | trans | -73 | 97.8 | 173 | -68 | 179.7 | 0 | 0 | 0 | 109.1 | I34 P35 F72 V474 V486 L488 I504 Y530 | I34-L38 HydrophobicContact CG2-CB 4.42Å; I34-L38 HydrophobicContact CG2-CD1 4.32Å; P35-L38 HydrophobicContact CB-CD1 4.37Å; P35-L38 HydrophobicContact CB-CG 4.26Å; P35-L38 HydrophobicContact CG-CD1 4.16Å; P35-L38 WeakPolarHBondContact O-CB 3.3Å; P35-L38 PolarHBondContact O-N 3.23Å; L38-F72 HydrophobicContact CB-CB 4.37Å; L38-F72 HydrophobicContact CB-CD1 4.36Å; L38-F72 HydrophobicContact CB-CG 4.44Å; L38-F72 HydrophobicContact CD1-CD1 4.41Å; L38-F72 HydrophobicContact CD1-CE1 4.43Å; L38-V474 HydrophobicContact CD2-CB 4.19Å; L38-V474 HydrophobicContact CD2-CG1 3.82Å; L38-V486 HydrophobicContact CD1-CG2 4.17Å; L38-V486 HydrophobicContact CD2-CG2 3.93Å; L38-V486 HydrophobicContact CG-CG2 4.41Å; L38-L488 HydrophobicContact CD1-CD2 4.07Å; L38-I504 HydrophobicContact CD1-CD1 3.84Å; L38-I504 HydrophobicContact CD1-CG2 4.32Å; L38-Y530 WeakPolarHBondContact CA-OH 3.17Å; L38-Y530 HydrophobicContact CD2-CE1 4.48Å | ||
| 39 | K | 96.7 | Very high | 97.6 | Very high | 121 Ų | 121 | 37.6 Ų | 37.6 | 53% | 0.526 | 21% | 0.209 | S | C | . | . | trans | -134.4 | 116.2 | 173.9 | -62.7 | 176.9 | -176.2 | 174.1 | 0 | 105.8 | S36 F37 F72 Y530 | S36-K39 VanDerWaalsContact O-CE 3.3Å; S36-K39 WeakPolarHBondContact O-CE 3.19Å; F37-K39 PolarHBondContact O-N 2.94Å; K39-F72 WeakPolarHBondContact CA-O 3.36Å; K39-Y530 PolarHBondContact N-OH 3.15Å; K39-Y530 PolarHBondContact O-OH 2.81Å | ||
| 40 | G | 97 | Very high | 97.7 | Very high | 11 Ų | 11 | 34.9 Ų | 34.9 | 11% | 0.113 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 144.7 | -172.8 | -171.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | F72 K531 | G40-F72 PolarHBondContact N-O 2.91Å; G40-F72 WeakPolarHBondContact O-CD2 3.23Å; G40-F72 PolarHBondContact O-N 2.83Å; G40-K531 CarbonylContact C-O 3.56Å; G40-K531 WeakPolarHBondContact CA-O 3.49Å |
| 41 | S | 98.3 | Very high | 97.7 | Very high | 7 Ų | 7 | 35.7 Ų | 35.7 | 5% | 0.049 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 129.5 | -176.7 | -54.4 | 0 | 0 | 0 | 0 | 111.5 | F70 D71 K531 | S41-F70 CarbonylContact C-O 3.55Å; S41-F70 WeakPolarHBondContact CA-O 3.44Å; S41-D71 PolarHBondContact OG-OD1 3.02Å; S41-K531 PolarHBondContact N-O 3.21Å; S41-K531 PolarHBondContact O-N 3.45Å |
| 42 | L | 98.6 | Very high | 97.6 | Very high | 2 Ų | 2 | 32.5 Ų | 32.5 | 1% | 0.01 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 125 | 160.3 | 178.1 | 76.1 | 0 | 0 | 0 | 108.7 | R44 K69 F70 F72 L472 L488 I490 M502 Y530 | L42-R44 HydrophobicContact CD1-CG 4.36Å; L42-R44 HydrophobicContact CD2-CG 4.29Å; L42-R44 HydrophobicContact CG-CG 4.15Å; L42-K69 CarbonylContact O-C 3.5Å; L42-K69 VanDerWaalsContact O-CA 3.26Å; L42-K69 WeakPolarHBondContact O-CA 3.37Å; L42-F70 HydrophobicContact CB-CB 4.31Å; L42-F70 PolarHBondContact N-O 2.64Å; L42-F70 PolarHBondContact O-N 2.91Å; L42-F72 HydrophobicContact CB-CE2 4.1Å; L42-L472 HydrophobicContact CD1-CB 4.38Å; L42-L472 HydrophobicContact CD1-CD1 3.29Å; L42-L472 HydrophobicContact CD1-CG 4.17Å; L42-L488 HydrophobicContact CD1-CB 4.41Å; L42-L488 HydrophobicContact CD1-CD1 4.49Å; L42-L488 HydrophobicContact CD2-CB 4.45Å; L42-I490 HydrophobicContact CD2-CG1 4.33Å; L42-M502 HydrophobicContact CD2-CE 3.07Å; L42-M502 HydrophobicContact CD2-SD 3.97Å; L42-M502 HydrophobicContact CG-CE 4.45Å; L42-Y530 HydrophobicContact CB-CD2 4.37Å |
| 43 | L | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 132.4 | 176.3 | -56.9 | 165.6 | 0 | 0 | 0 | 108.9 | M67 H68 K69 V137 T158 L161 G528 M529 K531 | L43-M67 HydrophobicContact CB-CE 4.05Å; L43-M67 HydrophobicContact CD1-CE 4.17Å; L43-M67 HydrophobicContact CD2-CE 3.85Å; L43-M67 HydrophobicContact CG-CE 4.24Å; L43-H68 CarbonylContact C-O 3.48Å; L43-H68 VanDerWaalsContact CA-O 3.31Å; L43-H68 WeakPolarHBondContact CA-O 3.34Å; L43-K69 HydrophobicContact CD2-CB 4.03Å; L43-K69 HydrophobicContact CD2-CD 3.93Å; L43-K69 HydrophobicContact CD2-CG 3.74Å; L43-V137 HydrophobicContact CB-CG1 3.96Å; L43-T158 HydrophobicContact CD1-CG2 3.41Å; L43-T158 VanDerWaalsContact CD1-CG2 3.41Å; L43-L161 HydrophobicContact CD2-CD2 4.08Å; L43-G528 CarbonylContact O-C 3.57Å; L43-G528 WeakPolarHBondContact O-CA 3.47Å; L43-M529 HydrophobicContact CB-CG 4.43Å; L43-M529 HydrophobicContact CD1-CG 4.3Å; L43-M529 PolarHBondContact N-O 3Å; L43-M529 PolarHBondContact O-N 2.71Å; L43-K531 HydrophobicContact CD1-CB 4.43Å |
| 44 | R | 98.5 | Very high | 97 | Very high | 1 Ų | 1 | 31 Ų | 31 | 0% | 0.004 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 152.6 | 177.3 | -63.8 | -170.3 | 59.8 | 75.1 | 3.3 | 111.6 | L42 M67 H68 S469 E470 I490 T525 F526 H527 | L42-R44 HydrophobicContact CD1-CG 4.36Å; L42-R44 HydrophobicContact CD2-CG 4.29Å; L42-R44 HydrophobicContact CG-CG 4.15Å; R44-M67 WeakPolarHBondContact O-CA 3.27Å; R44-H68 HydrophobicContact CB-CB 4.47Å; R44-H68 PolarHBondContact N-O 3.17Å; R44-H68 PolarHBondContact O-N 3.11Å; R44-S469 PolarHBondContact NE-OG 3.13Å; R44-E470 IonicContact CZ-OE2 2.7Å; R44-E470 IonicContact NH1-OE2 3.61Å; R44-E470 PolarHBondContact NH1-OE2 2.86Å; R44-E470 IonicContact NH2-OE2 3.17Å; R44-I490 HydrophobicContact CB-CD1 4.39Å; R44-I490 HydrophobicContact CG-CD1 4.37Å; R44-T525 HydrophobicContact CB-CG2 4.27Å; R44-T525 PolarHBondContact NE-OG1 2.93Å; R44-T525 PolarHBondContact NH2-O 2.48Å; R44-T525 PolarHBondContact NH2-OG1 3.25Å; R44-F526 PolarHBondContact NH2-O 3.08Å; R44-H527 WeakPolarHBondContact CA-O 3.43Å |
| 45 | L | 98.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 149.5 | 176.2 | -82 | 152.2 | 0 | 0 | 0 | 111.3 | M67 V84 L134 N136 V137 A146 T525 F526 H527 | L45-M67 HydrophobicContact CD2-CB 3.91Å; L45-M67 HydrophobicContact CD2-CG 4.23Å; L45-M67 HydrophobicContact CG-CG 4.35Å; L45-V84 HydrophobicContact CD2-CG2 3.89Å; L45-L134 CarbonylContact C-O 3.51Å; L45-L134 WeakPolarHBondContact CB-O 3.31Å; L45-N136 WeakPolarHBondContact CD1-O 3.4Å; L45-V137 HydrophobicContact CD1-CB 3.65Å; L45-V137 HydrophobicContact CD1-CG1 4.07Å; L45-A146 HydrophobicContact CD1-CB 3.67Å; L45-A146 HydrophobicContact CD2-CB 4.45Å; L45-T525 CarbonylContact O-C 3.48Å; L45-T525 WeakPolarHBondContact O-CA 3.29Å; L45-T525 WeakPolarHBondContact O-CB 3.49Å; L45-F526 PolarHBondContact O-N 3.05Å; L45-H527 PolarHBondContact N-O 3.26Å |
| 46 | G | 98.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -173.2 | 176.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | L66 L134 | G46-L66 PolarHBondContact N-O 3.36Å; G46-L66 PolarHBondContact O-N 2.87Å; G46-L134 WeakPolarHBondContact CA-O 3.46Å; G46-L134 PolarHBondContact N-O 3.3Å |
| 47 | P | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 131.1 | 174 | 29.6 | -34.1 | 0 | 0 | 0 | 110.9 | F50 L134 P523 V524 F526 | P47-F50 HydrophobicContact CB-CD1 4.43Å; P47-F50 HydrophobicContact CB-CE1 3.66Å; P47-F50 HydrophobicContact CB-CZ 3.78Å; P47-F50 HydrophobicContact CG-CE1 3.68Å; P47-F50 HydrophobicContact CG-CZ 3.69Å; P47-F50 WeakPolarHBondContact O-CZ 3.34Å; P47-L134 HydrophobicContact CB-CD1 4.12Å; P47-P523 WeakPolarHBondContact O-CB 3.29Å; P47-P523 WeakPolarHBondContact O-CG 3.47Å; P47-V524 HydrophobicContact CG-CG1 3.76Å; P47-F526 HydrophobicContact CG-CE2 4.36Å; P47-F526 HydrophobicContact CG-CZ 4.16Å |
| 48 | G | 98.1 | Very high | 97.1 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | -13.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | T18 C19 Q64 | T18-G48 WeakPolarHBondContact CA-O 3.21Å; C19-G48 PolarHBondContact N-O 2.71Å; G48-Q64 PolarHBondContact N-O 3.23Å |
| 49 | L | 98.5 | Very high | 97.2 | Very high | 22 Ų | 22 | 34.2 Ų | 34.2 | 12% | 0.115 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 114.1 | 178.5 | 178.8 | 66.2 | 0 | 0 | 0 | 108.1 | T18 E51 V52 G63 Q64 F83 Y89 I93 | T18-L49 HydrophobicContact CG2-CD1 3.42Å; T18-L49 VanDerWaalsContact CG2-CD1 3.42Å; L49-E51 WeakPolarHBondContact CD1-O 3.14Å; L49-E51 VanDerWaalsContact CG-O 3.29Å; L49-E51 WeakPolarHBondContact CG-O 3.34Å; L49-V52 HydrophobicContact CD2-CG2 4.39Å; L49-G63 CarbonylContact O-C 3.56Å; L49-G63 WeakPolarHBondContact O-CA 3.33Å; L49-Q64 HydrophobicContact CB-CB 4.07Å; L49-Q64 HydrophobicContact CB-CG 4.32Å; L49-Q64 HydrophobicContact CD2-CB 4.49Å; L49-Q64 HydrophobicContact CD2-CG 4.11Å; L49-Q64 PolarHBondContact O-N 2.77Å; L49-F83 HydrophobicContact CB-CE1 3.66Å; L49-F83 HydrophobicContact CB-CZ 3.85Å; L49-Y89 HydrophobicContact CD2-CE2 4.25Å; L49-I93 HydrophobicContact CD2-CD1 3.91Å |
| 50 | F | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 16% | 0.164 | C | C | . | . | trans | -105.2 | 3.3 | -172.7 | -62 | -90.2 | 0 | 0 | 0 | 113.7 | F16 E17 T18 P47 F57 L344 R348 P523 | F16-F50 VanDerWaalsContact C-CE2 3.48Å; F16-F50 WeakPolarHBondContact O-CD2 3.16Å; E17-F50 VanDerWaalsContact C-CD2 3.49Å; E17-F50 WeakPolarHBondContact O-CE2 3.25Å; T18-F50 PolarHBondContact OG1-N 3.23Å; P47-F50 HydrophobicContact CB-CD1 4.43Å; P47-F50 HydrophobicContact CB-CE1 3.66Å; P47-F50 HydrophobicContact CB-CZ 3.78Å; P47-F50 HydrophobicContact CG-CE1 3.68Å; P47-F50 HydrophobicContact CG-CZ 3.69Å; P47-F50 WeakPolarHBondContact O-CZ 3.34Å; F50-F57 WeakPolarHBondContact O-CB 3.37Å; F50-F57 PolarHBondContact O-N 3.38Å; F50-L344 HydrophobicContact CD1-CD1 3.76Å; F50-L344 HydrophobicContact CD1-CD2 4.01Å; F50-L344 HydrophobicContact CE1-CD1 4.48Å; F50-L344 HydrophobicContact CE1-CD2 4Å; F50-R348 VanDerWaalsContact CG-NH2 3.34Å; F50-P523 HydrophobicContact CE2-CB 4.22Å; F50-P523 HydrophobicContact CZ-CB 4.44Å | ||
| 51 | E | 98.1 | Very high | 97.3 | Very high | 70 Ų | 70 | 30.2 Ų | 30.2 | 33% | 0.327 | 17% | 0.165 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.9 | 153.6 | 176.1 | 58.3 | -76.9 | 161.8 | 0 | 0 | 110.5 | T18 L49 E55 | T18-E51 WeakPolarHBondContact CB-OE1 3.42Å; T18-E51 PolarHBondContact OG1-OE1 2.95Å; T18-E51 PolarHBondContact OG1-OE2 2.95Å; L49-E51 WeakPolarHBondContact CD1-O 3.14Å; L49-E51 VanDerWaalsContact CG-O 3.29Å; L49-E51 WeakPolarHBondContact CG-O 3.34Å; E51-E55 CarbonylContact C-O 3.56Å; E51-E55 VanDerWaalsContact CA-O 3.3Å; E51-E55 WeakPolarHBondContact CA-O 3.48Å |
| 52 | V | 96.4 | Very high | 97.3 | Very high | 7 Ų | 7 | 29.9 Ų | 29.9 | 4% | 0.042 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 100.8 | 174.6 | -172.7 | 0 | 0 | 0 | 0 | 108.2 | L49 D54 E55 F57 A92 V98 | L49-V52 HydrophobicContact CD2-CG2 4.39Å; V52-D54 PolarHBondContact O-N 3.02Å; V52-E55 PolarHBondContact N-O 2.72Å; V52-E55 PolarHBondContact O-N 2.66Å; V52-F57 HydrophobicContact CG2-CE2 3.8Å; V52-F57 HydrophobicContact CG2-CZ 4Å; V52-A92 HydrophobicContact CG1-CB 4.26Å; V52-A92 WeakPolarHBondContact CG1-O 3.14Å; V52-A92 HydrophobicContact CG2-CB 4.05Å; V52-V98 HydrophobicContact CB-CG2 4.45Å; V52-V98 HydrophobicContact CG2-CG2 4.27Å |
| 53 | G | 90.4 | Very high | 97.3 | Very high | 61 Ų | 61 | 29.8 Ų | 29.8 | 63% | 0.629 | 16% | 0.162 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 64.3 | -122.1 | -168.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||
| 54 | D | 90.4 | Very high | 97.3 | Very high | 169 Ų | 169 | 29.9 Ų | 29.9 | 90% | 0.904 | 16% | 0.162 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.2 | -0.3 | 178.1 | -61.1 | -42.7 | 0 | 0 | 0 | 113.3 | V52 P56 | V52-D54 PolarHBondContact O-N 3.02Å; D54-P56 WeakPolarHBondContact O-CD 3.25Å |
| 55 | E | 95.1 | Very high | 97.3 | Very high | 72 Ų | 72 | 29.9 Ų | 29.9 | 34% | 0.336 | 16% | 0.163 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 111.6 | -178.9 | -66 | -175.4 | -172.8 | 0 | 0 | 111.1 | E51 V52 V98 | E51-E55 CarbonylContact C-O 3.56Å; E51-E55 VanDerWaalsContact CA-O 3.3Å; E51-E55 WeakPolarHBondContact CA-O 3.48Å; V52-E55 PolarHBondContact N-O 2.72Å; V52-E55 PolarHBondContact O-N 2.66Å; E55-V98 HydrophobicContact CB-CG2 4.07Å; E55-V98 WeakPolarHBondContact OE2-CB 3.2Å; E55-V98 PolarHBondContact OE2-N 3.18Å |
| 56 | P | 97 | Very high | 97.3 | Very high | 51 Ų | 51 | 29.9 Ų | 29.9 | 33% | 0.331 | 16% | 0.163 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 149.4 | 179.4 | 33.4 | -35.5 | 0 | 0 | 0 | 112.2 | D54 Y58 | D54-P56 WeakPolarHBondContact O-CD 3.25Å; P56-Y58 HydrophobicContact CG-CD1 4.46Å; P56-Y58 HydrophobicContact CG-CE1 3.72Å |
| 57 | F | 98.1 | Very high | 97.3 | Very high | 3 Ų | 3 | 29.9 Ų | 29.9 | 1% | 0.013 | 16% | 0.163 | C | C | . | . | trans | -81.1 | 142.4 | 158.2 | -70.7 | -61 | 0 | 0 | 0 | 110 | F50 V52 D62 Q64 V98 E102 T105 L344 | F50-F57 WeakPolarHBondContact O-CB 3.37Å; F50-F57 PolarHBondContact O-N 3.38Å; V52-F57 HydrophobicContact CG2-CE2 3.8Å; V52-F57 HydrophobicContact CG2-CZ 4Å; F57-D62 HydrophobicContact CB-CB 3.69Å; F57-D62 HydrophobicContact CD1-CB 3.72Å; F57-D62 HydrophobicContact CG-CB 3.92Å; F57-Q64 HydrophobicContact CE2-CG 3.91Å; F57-Q64 HydrophobicContact CZ-CG 4.17Å; F57-V98 HydrophobicContact CD1-CG2 4.35Å; F57-V98 HydrophobicContact CE1-CB 4.41Å; F57-V98 HydrophobicContact CE1-CG1 3.77Å; F57-V98 HydrophobicContact CE1-CG2 3.7Å; F57-V98 HydrophobicContact CZ-CG1 4.33Å; F57-V98 HydrophobicContact CZ-CG2 3.85Å; F57-E102 HydrophobicContact CD1-CG 4.21Å; F57-E102 HydrophobicContact CE1-CG 3.69Å; F57-T105 WeakPolarHBondContact CA-OG1 3.16Å; F57-T105 HydrophobicContact CD1-CG2 3.98Å; F57-T105 HydrophobicContact CE1-CG2 4.41Å; F57-L344 WeakPolarHBondContact O-CD1 3.47Å | ||
| 58 | Y | 98 | Very high | 97.3 | Very high | 122 Ų | 122 | 30 Ų | 30 | 48% | 0.478 | 16% | 0.163 | S | C | . | . | trans | -102.8 | -36.8 | -169.3 | -64.2 | -64.7 | 0 | 0 | 0 | 112.8 | P56 D62 T105 L344 | P56-Y58 HydrophobicContact CG-CD1 4.46Å; P56-Y58 HydrophobicContact CG-CE1 3.72Å; Y58-D62 PolarHBondContact N-OD2 3.13Å; Y58-T105 HydrophobicContact CD2-CG2 4.08Å; Y58-T105 WeakPolarHBondContact CD2-OG1 3.33Å; Y58-T105 HydrophobicContact CE2-CG2 4.23Å; Y58-T105 PolarHBondContact N-OG1 3.39Å; Y58-L344 WeakPolarHBondContact O-CB 3.21Å; Y58-L344 PolarHBondContact O-N 3.23Å | ||
| 59 | H | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 17% | 0.167 | C | C | . | . | B | Isolated β-bridge | trans | -104.1 | 154.6 | -176.2 | -159.9 | -90.3 | 0 | 0 | 0 | 112.4 | F61 D62 F103 Y339 W343 L344 | H59-F61 AromaticContact CE1-CD2 3.27Å; H59-F61 WeakPolarHBondContact CE1-CD2 3.36Å; H59-F61 AromaticContact CE1-CE2 3.65Å; H59-F61 AromaticContact ND1-CD2 3.34Å; H59-F61 VanDerWaalsContact ND1-CD2 3.34Å; H59-F61 WeakPolarHBondContact ND1-CD2 3.47Å; H59-F61 AromaticContact ND1-CG 3.94Å; H59-F61 PolarHBondContact ND1-N 3.04Å; H59-F61 PolarHBondContact O-N 3.04Å; H59-F61 VanDerWaalsContact O-N 3.08Å; H59-D62 WeakPolarHBondContact CA-OD2 3.37Å; H59-D62 WeakPolarHBondContact CB-OD2 3.39Å; H59-D62 PolarHBondContact N-OD2 2.65Å; H59-D62 WeakPolarHBondContact O-CB 3.44Å; H59-D62 PolarHBondContact O-N 2.97Å; H59-D62 VanDerWaalsContact O-N 3.09Å; H59-F103 HydrophobicContact CB-CD1 4.27Å; H59-F103 AromaticContact CE1-CD1 3.75Å; H59-F103 AromaticContact CE1-CE1 3.59Å; H59-F103 AromaticContact CG-CD1 3.7Å; H59-F103 AromaticContact ND1-CD1 3.42Å; H59-F103 WeakPolarHBondContact ND1-CD1 3.41Å; H59-F103 AromaticContact ND1-CE1 3.76Å; H59-F103 AromaticContact NE2-CE1 3.79Å; H59-Y339 PolarHBondContact NE2-O 3.09Å; H59-W343 HydrophobicContact CB-CE3 4.06Å; H59-W343 HydrophobicContact CB-CZ3 4.04Å; H59-W343 AromaticContact CD2-CD2 3.94Å; H59-W343 AromaticContact CD2-CE3 3.95Å; H59-L344 WeakPolarHBondContact O-CD1 3.28Å |
| 60 | L | 98.4 | Very high | 97.4 | Very high | 16 Ų | 16 | 29.7 Ų | 29.7 | 8% | 0.084 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | -27.6 | 176.9 | 178 | 59 | 0 | 0 | 0 | 113.5 | F16 L342 L347 V524 F526 | F16-L60 HydrophobicContact CD1-CD1 4.04Å; F16-L60 HydrophobicContact CE1-CD1 3.83Å; L60-L342 HydrophobicContact CB-CB 4.21Å; L60-L342 VanDerWaalsContact CB-O 3.3Å; L60-L342 WeakPolarHBondContact CB-O 3.44Å; L60-L342 HydrophobicContact CD2-CB 4.36Å; L60-L342 HydrophobicContact CD2-CD1 4.31Å; L60-L342 HydrophobicContact CD2-CD2 4.49Å; L60-L342 PolarHBondContact N-O 3.45Å; L60-L347 HydrophobicContact CB-CD1 4.02Å; L60-L347 HydrophobicContact CD1-CD1 4.24Å; L60-L347 HydrophobicContact CD2-CD1 4.01Å; L60-L347 HydrophobicContact CG-CD1 4.31Å; L60-V524 HydrophobicContact CD1-CG1 3.93Å; L60-F526 HydrophobicContact CD1-CE1 4.12Å; L60-F526 HydrophobicContact CD1-CZ 4.01Å; L60-F526 HydrophobicContact CD2-CE1 3.99Å; L60-F526 HydrophobicContact CD2-CZ 4.36Å; L60-F526 HydrophobicContact CG-CE1 3.9Å; L60-F526 HydrophobicContact CG-CZ 3.77Å |
| 61 | F | 98.2 | Very high | 97.4 | Very high | 32 Ų | 32 | 31.8 Ų | 31.8 | 14% | 0.14 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.9 | 12.3 | -176.8 | -56.2 | -58.6 | 0 | 0 | 0 | 114 | H59 F103 Y339 L342 F526 | H59-F61 AromaticContact CE1-CD2 3.27Å; H59-F61 WeakPolarHBondContact CE1-CD2 3.36Å; H59-F61 AromaticContact CE1-CE2 3.65Å; H59-F61 AromaticContact ND1-CD2 3.34Å; H59-F61 VanDerWaalsContact ND1-CD2 3.34Å; H59-F61 WeakPolarHBondContact ND1-CD2 3.47Å; H59-F61 AromaticContact ND1-CG 3.94Å; H59-F61 PolarHBondContact ND1-N 3.04Å; H59-F61 PolarHBondContact O-N 3.04Å; H59-F61 VanDerWaalsContact O-N 3.08Å; F61-F103 HydrophobicContact CB-CB 4.15Å; F61-F103 HydrophobicContact CB-CD1 4.39Å; F61-F103 HydrophobicContact CB-CG 4.35Å; F61-F103 HydrophobicContact CD2-CD1 4.3Å; F61-F103 HydrophobicContact CD2-CE1 4.48Å; F61-Y339 HydrophobicContact CD2-CD2 4.02Å; F61-Y339 AromaticContact CD2-CE2 3.87Å; F61-Y339 HydrophobicContact CD2-CE2 3.87Å; F61-Y339 AromaticContact CE2-CD1 3.79Å; F61-Y339 HydrophobicContact CE2-CD1 3.79Å; F61-Y339 AromaticContact CE2-CD2 3.69Å; F61-Y339 HydrophobicContact CE2-CD2 3.69Å; F61-Y339 AromaticContact CE2-CE1 3.48Å; F61-Y339 HydrophobicContact CE2-CE1 3.48Å; F61-Y339 VanDerWaalsContact CE2-CE1 3.48Å; F61-Y339 AromaticContact CE2-CE2 3.44Å; F61-Y339 HydrophobicContact CE2-CE2 3.44Å; F61-Y339 VanDerWaalsContact CE2-CE2 3.44Å; F61-Y339 AromaticContact CE2-CG 3.89Å; F61-Y339 HydrophobicContact CE2-CG 3.89Å; F61-Y339 AromaticContact CE2-CZ 3.34Å; F61-Y339 HydrophobicContact CZ-CD1 4.44Å; F61-Y339 AromaticContact CZ-CE1 3.8Å; F61-Y339 HydrophobicContact CZ-CE1 3.8Å; F61-Y339 HydrophobicContact CZ-CE2 4.24Å; F61-Y339 AromaticContact CZ-CZ 3.72Å; F61-L342 HydrophobicContact CE2-CD1 3.97Å; F61-L342 HydrophobicContact CZ-CD1 4.09Å; F61-F526 HydrophobicContact CD1-CD2 4.49Å; F61-F526 HydrophobicContact CD1-CE1 4.29Å; F61-F526 AromaticContact CD1-CE2 3.71Å; F61-F526 HydrophobicContact CD1-CE2 3.71Å; F61-F526 AromaticContact CD1-CZ 3.61Å; F61-F526 HydrophobicContact CD1-CZ 3.61Å; F61-F526 HydrophobicContact CE1-CD1 4.35Å; F61-F526 HydrophobicContact CE1-CD2 4.49Å; F61-F526 AromaticContact CE1-CE1 3.84Å; F61-F526 HydrophobicContact CE1-CE1 3.84Å; F61-F526 AromaticContact CE1-CE2 3.97Å; F61-F526 HydrophobicContact CE1-CE2 3.97Å; F61-F526 AromaticContact CE1-CZ 3.64Å; F61-F526 HydrophobicContact CE1-CZ 3.64Å |
| 62 | D | 98.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.4 | -26.1 | -176 | -65.9 | -15.7 | 0 | 0 | 0 | 113.5 | F57 Y58 H59 Q64 E102 F103 G104 T105 N132 | F57-D62 HydrophobicContact CB-CB 3.69Å; F57-D62 HydrophobicContact CD1-CB 3.72Å; F57-D62 HydrophobicContact CG-CB 3.92Å; Y58-D62 PolarHBondContact N-OD2 3.13Å; H59-D62 WeakPolarHBondContact CA-OD2 3.37Å; H59-D62 WeakPolarHBondContact CB-OD2 3.39Å; H59-D62 PolarHBondContact N-OD2 2.65Å; H59-D62 WeakPolarHBondContact O-CB 3.44Å; H59-D62 PolarHBondContact O-N 2.97Å; H59-D62 VanDerWaalsContact O-N 3.09Å; D62-Q64 PolarHBondContact O-NE2 3.19Å; D62-E102 HydrophobicContact CB-CB 3.9Å; D62-E102 HydrophobicContact CB-CG 4.45Å; D62-E102 WeakPolarHBondContact OD1-CB 3.3Å; D62-F103 WeakPolarHBondContact OD1-CA 3.45Å; D62-F103 VanDerWaalsContact OD1-CB 3.29Å; D62-F103 WeakPolarHBondContact OD1-CB 3.35Å; D62-F103 PolarHBondContact OD1-N 3.34Å; D62-G104 PolarHBondContact OD1-N 3.05Å; D62-G104 VanDerWaalsContact OD2-C 3.31Å; D62-G104 WeakPolarHBondContact OD2-CA 3.49Å; D62-G104 PolarHBondContact OD2-N 3.43Å; D62-T105 PolarHBondContact OD2-N 2.92Å; D62-T105 VanDerWaalsContact OD2-N 3.09Å; D62-T105 PolarHBondContact OD2-OG1 2.86Å; D62-N132 PolarHBondContact O-ND2 2.78Å |
| 63 | G | 98.2 | Very high | 97.4 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -61.6 | 146.9 | -176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | L49 N132 L134 | L49-G63 CarbonylContact O-C 3.56Å; L49-G63 WeakPolarHBondContact O-CA 3.33Å; G63-N132 PolarHBondContact O-ND2 2.94Å; G63-L134 WeakPolarHBondContact O-CD1 3.31Å |
| 64 | Q | 98.8 | Very high | 97.4 | Very high | 1 Ų | 1 | 38.3 Ų | 38.3 | 1% | 0.005 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 138.5 | -172.2 | -56.4 | -66 | -67.7 | 0 | 0 | 111.9 | G48 L49 F57 D62 L66 F83 A88 Y89 E102 | G48-Q64 PolarHBondContact N-O 3.23Å; L49-Q64 HydrophobicContact CB-CB 4.07Å; L49-Q64 HydrophobicContact CB-CG 4.32Å; L49-Q64 HydrophobicContact CD2-CB 4.49Å; L49-Q64 HydrophobicContact CD2-CG 4.11Å; L49-Q64 PolarHBondContact O-N 2.77Å; F57-Q64 HydrophobicContact CE2-CG 3.91Å; F57-Q64 HydrophobicContact CZ-CG 4.17Å; D62-Q64 PolarHBondContact O-NE2 3.19Å; Q64-L66 PolarHBondContact O-N 3Å; Q64-F83 HydrophobicContact CB-CD1 4.5Å; Q64-A88 VanDerWaalsContact OE1-C 3.32Å; Q64-Y89 HydrophobicContact CB-CD2 3.81Å; Q64-Y89 HydrophobicContact CG-CD2 4.14Å; Q64-Y89 VanDerWaalsContact OE1-CA 3.22Å; Q64-Y89 VanDerWaalsContact OE1-N 3.09Å; Q64-E102 PolarHBondContact NE2-OE1 3.17Å |
| 65 | A | 98.8 | Very high | 97.5 | Very high | 1 Ų | 1 | 31.8 Ų | 31.8 | 1% | 0.008 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.4 | 120.9 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113 | F83 V84 N132 L134 | A65-F83 WeakPolarHBondContact O-CA 3.34Å; A65-V84 HydrophobicContact CB-CB 4.06Å; A65-V84 HydrophobicContact CB-CG2 3.96Å; A65-V84 PolarHBondContact O-N 3.4Å; A65-N132 VanDerWaalsContact CB-OD1 3.29Å; A65-N132 WeakPolarHBondContact CB-OD1 3.35Å; A65-N132 PolarHBondContact N-OD1 2.81Å; A65-L134 HydrophobicContact CB-CB 3.77Å |
| 66 | L | 98.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 123 | 175.6 | -178.3 | 66.3 | 0 | 0 | 0 | 109.6 | C19 G46 Q64 H68 R81 F83 P523 | C19-L66 WeakPolarHBondContact SG-CD2 3.34Å; G46-L66 PolarHBondContact N-O 3.36Å; G46-L66 PolarHBondContact O-N 2.87Å; Q64-L66 PolarHBondContact O-N 3Å; L66-H68 WeakPolarHBondContact CD2-CE1 3.44Å; L66-H68 WeakPolarHBondContact CD2-NE2 3.49Å; L66-H68 PolarHBondContact O-CD2 2.82Å; L66-R81 HydrophobicContact CD1-CB 4.17Å; L66-R81 HydrophobicContact CG-CB 4.43Å; L66-F83 HydrophobicContact CB-CD1 4.13Å; L66-F83 HydrophobicContact CB-CE1 4.12Å; L66-F83 HydrophobicContact CD1-CD1 3.98Å; L66-F83 HydrophobicContact CD1-CD2 4.17Å; L66-F83 HydrophobicContact CD1-CE1 4.11Å; L66-F83 HydrophobicContact CD1-CE2 4.29Å; L66-F83 HydrophobicContact CD1-CG 4Å; L66-F83 HydrophobicContact CD1-CZ 4.26Å; L66-P523 HydrophobicContact CD2-CG 4.02Å |
| 67 | M | 98.8 | Very high | 97.6 | Very high | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.005 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 131.3 | 177.5 | -165.8 | 176.9 | -177.2 | 0 | 0 | 109.6 | L43 R44 L45 R81 K82 V84 V137 V156 T158 L161 | L43-M67 HydrophobicContact CB-CE 4.05Å; L43-M67 HydrophobicContact CD1-CE 4.17Å; L43-M67 HydrophobicContact CD2-CE 3.85Å; L43-M67 HydrophobicContact CG-CE 4.24Å; R44-M67 WeakPolarHBondContact O-CA 3.27Å; L45-M67 HydrophobicContact CD2-CB 3.91Å; L45-M67 HydrophobicContact CD2-CG 4.23Å; L45-M67 HydrophobicContact CG-CG 4.35Å; M67-R81 CarbonylContact O-C 3.54Å; M67-R81 WeakPolarHBondContact O-CA 3.47Å; M67-R81 WeakPolarHBondContact O-CB 3.47Å; M67-K82 PolarHBondContact N-O 2.98Å; M67-K82 PolarHBondContact O-N 2.92Å; M67-V84 HydrophobicContact CB-CG2 4.3Å; M67-V137 HydrophobicContact CE-CG1 4.3Å; M67-V137 HydrophobicContact CE-CG2 4.19Å; M67-V156 HydrophobicContact CE-CG2 4.14Å; M67-V156 HydrophobicContact SD-CB 4.34Å; M67-V156 HydrophobicContact SD-CG2 4.11Å; M67-T158 HydrophobicContact CE-CG2 4.26Å; M67-L161 HydrophobicContact CE-CD2 3.94Å; M67-L161 HydrophobicContact CG-CD2 4.12Å; M67-L161 HydrophobicContact SD-CD2 3.74Å |
| 68 | H | 98.8 | Very high | 97.6 | Very high | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.005 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 141.4 | -179.3 | -59.2 | -93.9 | 0 | 0 | 0 | 110 | L43 R44 L66 Y79 Y80 I490 T525 | L43-H68 CarbonylContact C-O 3.48Å; L43-H68 VanDerWaalsContact CA-O 3.31Å; L43-H68 WeakPolarHBondContact CA-O 3.34Å; R44-H68 HydrophobicContact CB-CB 4.47Å; R44-H68 PolarHBondContact N-O 3.17Å; R44-H68 PolarHBondContact O-N 3.11Å; L66-H68 WeakPolarHBondContact CD2-CE1 3.44Å; L66-H68 WeakPolarHBondContact CD2-NE2 3.49Å; L66-H68 PolarHBondContact O-CD2 2.82Å; H68-Y79 HydrophobicContact CB-CE2 4.23Å; H68-Y79 AromaticContact ND1-CE2 3.94Å; H68-Y79 AromaticContact ND1-CZ 3.84Å; H68-Y79 PolarHBondContact ND1-OH 2.96Å; H68-Y80 CarbonylContact C-O 3.51Å; H68-I490 HydrophobicContact CB-CD1 4.44Å; H68-T525 VanDerWaalsContact CD2-CG2 3.47Å; H68-T525 WeakPolarHBondContact CD2-CG2 3.34Å |
| 69 | K | 98.8 | Very high | 97.6 | Very high | 17 Ų | 17 | 29.2 Ų | 29.2 | 7% | 0.074 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 125.7 | 175.3 | -171.6 | 174.3 | 84.2 | 162.9 | 0 | 111.3 | L42 L43 Y79 Y80 T158 D159 L161 | L42-K69 CarbonylContact O-C 3.5Å; L42-K69 VanDerWaalsContact O-CA 3.26Å; L42-K69 WeakPolarHBondContact O-CA 3.37Å; L43-K69 HydrophobicContact CD2-CB 4.03Å; L43-K69 HydrophobicContact CD2-CD 3.93Å; L43-K69 HydrophobicContact CD2-CG 3.74Å; K69-Y79 CarbonylContact O-C 3.6Å; K69-Y79 WeakPolarHBondContact O-CA 3.43Å; K69-Y79 WeakPolarHBondContact O-CD2 3.15Å; K69-Y80 PolarHBondContact N-O 2.71Å; K69-Y80 PolarHBondContact O-N 3.26Å; K69-T158 WeakPolarHBondContact CD-O 3.19Å; K69-D159 PolarHBondContact NZ-O 2.87Å; K69-L161 HydrophobicContact CB-CD1 3.91Å; K69-L161 HydrophobicContact CB-CD2 4.05Å; K69-L161 HydrophobicContact CB-CG 4.4Å; K69-L161 HydrophobicContact CD-CD2 4.25Å |
| 70 | F | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 117.6 | 160.4 | -78.1 | -94.1 | 0 | 0 | 0 | 108.8 | T28 S41 L42 F72 V77 T78 Y79 I490 M502 V518 I522 | T28-F70 HydrophobicContact CG2-CE1 4.32Å; S41-F70 CarbonylContact C-O 3.55Å; S41-F70 WeakPolarHBondContact CA-O 3.44Å; L42-F70 HydrophobicContact CB-CB 4.31Å; L42-F70 PolarHBondContact N-O 2.64Å; L42-F70 PolarHBondContact O-N 2.91Å; F70-F72 HydrophobicContact CB-CE2 4.15Å; F70-F72 HydrophobicContact CB-CZ 4.41Å; F70-F72 WeakPolarHBondContact O-CE2 3.39Å; F70-V77 HydrophobicContact CB-CG1 4.25Å; F70-V77 HydrophobicContact CD1-CG1 3.79Å; F70-T78 CarbonylContact C-O 3.32Å; F70-T78 VanDerWaalsContact CA-O 3.28Å; F70-T78 WeakPolarHBondContact CA-O 3.33Å; F70-Y79 HydrophobicContact CD1-CD2 4.25Å; F70-Y79 AromaticContact CD2-CD2 3.73Å; F70-Y79 HydrophobicContact CD2-CD2 3.73Å; F70-Y79 HydrophobicContact CD2-CE2 4.26Å; F70-Y79 AromaticContact CE1-CD2 3.91Å; F70-Y79 HydrophobicContact CE1-CD2 3.91Å; F70-Y79 HydrophobicContact CE1-CG 4.05Å; F70-Y79 AromaticContact CE2-CD2 3.32Å; F70-Y79 HydrophobicContact CE2-CD2 3.32Å; F70-Y79 AromaticContact CE2-CE2 3.67Å; F70-Y79 HydrophobicContact CE2-CE2 3.67Å; F70-Y79 HydrophobicContact CE2-CG 4.22Å; F70-Y79 HydrophobicContact CG-CD2 4.19Å; F70-Y79 AromaticContact CZ-CD2 3.43Å; F70-Y79 HydrophobicContact CZ-CD2 3.43Å; F70-Y79 VanDerWaalsContact CZ-CD2 3.43Å; F70-Y79 HydrophobicContact CZ-CE2 4.04Å; F70-Y79 AromaticContact CZ-CG 3.87Å; F70-Y79 HydrophobicContact CZ-CG 3.87Å; F70-I490 HydrophobicContact CD2-CD1 4.16Å; F70-I490 HydrophobicContact CD2-CG1 4.2Å; F70-I490 HydrophobicContact CE2-CD1 3.83Å; F70-I490 HydrophobicContact CE2-CG1 3.83Å; F70-I490 HydrophobicContact CE2-CG2 4.47Å; F70-M502 HydrophobicContact CB-CE 4.02Å; F70-M502 HydrophobicContact CD1-CB 3.58Å; F70-M502 HydrophobicContact CD1-CE 4.27Å; F70-M502 HydrophobicContact CD1-CG 4.25Å; F70-M502 HydrophobicContact CD2-CE 3.43Å; F70-M502 VanDerWaalsContact CD2-CE 3.43Å; F70-M502 HydrophobicContact CE1-CB 3.58Å; F70-M502 HydrophobicContact CE2-CE 3.86Å; F70-M502 HydrophobicContact CG-CB 4.05Å; F70-M502 HydrophobicContact CG-CE 3.65Å; F70-M502 HydrophobicContact CG-CG 4.37Å; F70-M502 HydrophobicContact CZ-CB 4.07Å; F70-M502 HydrophobicContact CZ-CE 4.44Å; F70-V518 HydrophobicContact CE1-CG1 4.17Å; F70-V518 HydrophobicContact CZ-CG1 4.46Å; F70-I522 HydrophobicContact CE2-CD1 3.98Å; F70-I522 HydrophobicContact CZ-CD1 3.78Å |
| 71 | D | 98.6 | Very high | 97.6 | Very high | 43 Ų | 43 | 30.2 Ų | 30.2 | 23% | 0.23 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 125.7 | -176 | -164.5 | 37.9 | 0 | 0 | 0 | 110.9 | S41 V77 T78 | S41-D71 PolarHBondContact OG-OD1 3.02Å; D71-V77 VanDerWaalsContact O-CA 3.25Å; D71-V77 WeakPolarHBondContact O-CA 3.47Å; D71-T78 PolarHBondContact N-O 2.9Å; D71-T78 PolarHBondContact O-N 2.88Å |
| 72 | F | 98.4 | Very high | 97.7 | Very high | 3 Ų | 3 | 30.6 Ų | 30.6 | 1% | 0.013 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 116.8 | -174.8 | -59.4 | -97.6 | 0 | 0 | 0 | 109.8 | I34 L38 K39 G40 L42 F70 V77 L488 M502 I504 Y530 | I34-F72 HydrophobicContact CG2-CD1 4.09Å; L38-F72 HydrophobicContact CB-CB 4.37Å; L38-F72 HydrophobicContact CB-CD1 4.36Å; L38-F72 HydrophobicContact CB-CG 4.44Å; L38-F72 HydrophobicContact CD1-CD1 4.41Å; L38-F72 HydrophobicContact CD1-CE1 4.43Å; K39-F72 WeakPolarHBondContact CA-O 3.36Å; G40-F72 PolarHBondContact N-O 2.91Å; G40-F72 WeakPolarHBondContact O-CD2 3.23Å; G40-F72 PolarHBondContact O-N 2.83Å; L42-F72 HydrophobicContact CB-CE2 4.1Å; F70-F72 HydrophobicContact CB-CE2 4.15Å; F70-F72 HydrophobicContact CB-CZ 4.41Å; F70-F72 WeakPolarHBondContact O-CE2 3.39Å; F72-V77 HydrophobicContact CD1-CG1 4.38Å; F72-V77 HydrophobicContact CD1-CG2 3.58Å; F72-V77 HydrophobicContact CE1-CG1 4.24Å; F72-V77 HydrophobicContact CE1-CG2 3.81Å; F72-V77 HydrophobicContact CG-CG2 4.43Å; F72-L488 HydrophobicContact CE2-CD1 4.2Å; F72-L488 HydrophobicContact CZ-CD1 4.22Å; F72-L488 HydrophobicContact CZ-CD2 4.29Å; F72-M502 HydrophobicContact CE1-CG 4.22Å; F72-M502 HydrophobicContact CZ-CG 3.78Å; F72-M502 HydrophobicContact CZ-SD 4.23Å; F72-I504 HydrophobicContact CE1-CD1 3.98Å; F72-Y530 AromaticContact CD2-CE2 3.94Å; F72-Y530 HydrophobicContact CD2-CE2 3.94Å; F72-Y530 HydrophobicContact CE2-CE2 4.13Å |
| 73 | K | 95.6 | Very high | 97.7 | Very high | 141 Ų | 141 | 31 Ų | 31 | 61% | 0.613 | 16% | 0.158 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 120.3 | 179.7 | -168 | 174.5 | -175.8 | 175.2 | 0 | 111.3 | G75 Q76 | K73-G75 PolarHBondContact O-N 3.28Å; K73-Q76 PolarHBondContact N-O 2.81Å; K73-Q76 WeakPolarHBondContact O-CB 3.24Å; K73-Q76 PolarHBondContact O-N 3.01Å |
| 74 | N | 91.8 | Very high | 97.7 | Very high | 131 Ų | 131 | 31.1 Ų | 31.1 | 70% | 0.701 | 16% | 0.159 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.4 | 39.1 | 175.8 | -59.1 | -28.4 | 0 | 0 | 0 | 113.8 | Q76 | N74-Q76 PolarHBondContact O-N 2.84Š|
| 75 | G | 91.6 | Very high | 97.7 | Very high | 32 Ų | 32 | 35 Ų | 35 | 33% | 0.33 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 77.1 | 1.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | I34 K73 | I34-G75 WeakPolarHBondContact CG1-O 3.49Å; K73-G75 PolarHBondContact O-N 3.28Å |
| 76 | Q | 95.7 | Very high | 97.7 | Very high | 144 Ų | 144 | 35.1 Ų | 35.1 | 67% | 0.673 | 17% | 0.174 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 151.6 | 169.8 | -61.6 | 180 | -4.9 | 0 | 0 | 110.1 | K73 N74 | K73-Q76 PolarHBondContact N-O 2.81Å; K73-Q76 WeakPolarHBondContact O-CB 3.24Å; K73-Q76 PolarHBondContact O-N 3.01Å; N74-Q76 PolarHBondContact O-N 2.84Å |
| 77 | V | 98.4 | Very high | 97.6 | Very high | 4 Ų | 4 | 38.7 Ų | 38.7 | 2% | 0.024 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 134.3 | 176.3 | -172.4 | 0 | 0 | 0 | 0 | 109.2 | T28 I34 F70 D71 F72 A516 | T28-V77 WeakPolarHBondContact CB-O 3.38Å; T28-V77 HydrophobicContact CG2-CB 4.4Å; T28-V77 HydrophobicContact CG2-CG1 4.31Å; T28-V77 WeakPolarHBondContact CG2-O 3.33Å; T28-V77 PolarHBondContact N-O 3.01Å; T28-V77 WeakPolarHBondContact OG1-CB 3.2Å; T28-V77 PolarHBondContact OG1-O 2.82Å; I34-V77 HydrophobicContact CD1-CG2 3.92Å; I34-V77 HydrophobicContact CG1-CG2 4.13Å; F70-V77 HydrophobicContact CB-CG1 4.25Å; F70-V77 HydrophobicContact CD1-CG1 3.79Å; D71-V77 VanDerWaalsContact O-CA 3.25Å; D71-V77 WeakPolarHBondContact O-CA 3.47Å; F72-V77 HydrophobicContact CD1-CG1 4.38Å; F72-V77 HydrophobicContact CD1-CG2 3.58Å; F72-V77 HydrophobicContact CE1-CG1 4.24Å; F72-V77 HydrophobicContact CE1-CG2 3.81Å; F72-V77 HydrophobicContact CG-CG2 4.43Å; V77-A516 HydrophobicContact CB-CB 3.72Å; V77-A516 HydrophobicContact CG1-CB 3.94Å; V77-A516 HydrophobicContact CG2-CB 3.92Å |
| 78 | T | 98.5 | Very high | 97.6 | Very high | 46 Ų | 46 | 38.8 Ų | 38.8 | 28% | 0.282 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 153.8 | 169.1 | 64.6 | 0 | 0 | 0 | 0 | 110.5 | L26 F70 D71 | L26-T78 CarbonylContact O-C 3.53Å; L26-T78 VanDerWaalsContact O-CA 3.28Å; L26-T78 WeakPolarHBondContact O-CA 3.33Å; L26-T78 WeakPolarHBondContact O-CB 3.29Å; F70-T78 CarbonylContact C-O 3.32Å; F70-T78 VanDerWaalsContact CA-O 3.28Å; F70-T78 WeakPolarHBondContact CA-O 3.33Å; D71-T78 PolarHBondContact N-O 2.9Å; D71-T78 PolarHBondContact O-N 2.88Å |
| 79 | Y | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 135.3 | 177 | 172.6 | -117.7 | 0 | 0 | 0 | 111 | L22 P25 L26 H68 K69 F70 R81 V518 I522 | L22-Y79 HydrophobicContact CD1-CD1 3.91Å; L22-Y79 HydrophobicContact CD1-CE1 3.86Å; P25-Y79 CarbonylContact C-O 3.5Å; P25-Y79 WeakPolarHBondContact CA-O 3.32Å; L26-Y79 PolarHBondContact N-O 2.89Å; L26-Y79 PolarHBondContact O-N 3.12Å; H68-Y79 HydrophobicContact CB-CE2 4.23Å; H68-Y79 AromaticContact ND1-CE2 3.94Å; H68-Y79 AromaticContact ND1-CZ 3.84Å; H68-Y79 PolarHBondContact ND1-OH 2.96Å; K69-Y79 CarbonylContact O-C 3.6Å; K69-Y79 WeakPolarHBondContact O-CA 3.43Å; K69-Y79 WeakPolarHBondContact O-CD2 3.15Å; F70-Y79 HydrophobicContact CD1-CD2 4.25Å; F70-Y79 AromaticContact CD2-CD2 3.73Å; F70-Y79 HydrophobicContact CD2-CD2 3.73Å; F70-Y79 HydrophobicContact CD2-CE2 4.26Å; F70-Y79 AromaticContact CE1-CD2 3.91Å; F70-Y79 HydrophobicContact CE1-CD2 3.91Å; F70-Y79 HydrophobicContact CE1-CG 4.05Å; F70-Y79 AromaticContact CE2-CD2 3.32Å; F70-Y79 HydrophobicContact CE2-CD2 3.32Å; F70-Y79 AromaticContact CE2-CE2 3.67Å; F70-Y79 HydrophobicContact CE2-CE2 3.67Å; F70-Y79 HydrophobicContact CE2-CG 4.22Å; F70-Y79 HydrophobicContact CG-CD2 4.19Å; F70-Y79 AromaticContact CZ-CD2 3.43Å; F70-Y79 HydrophobicContact CZ-CD2 3.43Å; F70-Y79 VanDerWaalsContact CZ-CD2 3.43Å; F70-Y79 HydrophobicContact CZ-CE2 4.04Å; F70-Y79 AromaticContact CZ-CG 3.87Å; F70-Y79 HydrophobicContact CZ-CG 3.87Å; Y79-R81 HydrophobicContact CE1-CG 4.29Å; Y79-R81 WeakPolarHBondContact OH-CD 3.42Å; Y79-V518 HydrophobicContact CD1-CB 4.45Å; Y79-V518 HydrophobicContact CD1-CG1 3.94Å; Y79-V518 HydrophobicContact CG-CG1 3.97Å; Y79-I522 HydrophobicContact CD2-CD1 4.34Å; Y79-I522 HydrophobicContact CE1-CD1 3.99Å; Y79-I522 HydrophobicContact CE1-CG1 4.13Å; Y79-I522 HydrophobicContact CE2-CD1 3.79Å; Y79-I522 HydrophobicContact CE2-CG1 4.49Å |
| 80 | Y | 98.6 | Very high | 97.5 | Very high | 24 Ų | 24 | 42.1 Ų | 42.1 | 9% | 0.094 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 148.8 | 177.5 | -170.6 | -127.2 | 0 | 0 | 0 | 110.7 | L22 P25 H68 K69 T160 L161 | L22-Y80 HydrophobicContact CB-CD2 3.84Å; L22-Y80 HydrophobicContact CB-CE2 3.94Å; L22-Y80 WeakPolarHBondContact O-CE2 3.47Å; P25-Y80 HydrophobicContact CB-CD2 4.48Å; P25-Y80 HydrophobicContact CB-CG 4.49Å; P25-Y80 HydrophobicContact CG-CD2 4.15Å; P25-Y80 HydrophobicContact CG-CG 4.12Å; H68-Y80 CarbonylContact C-O 3.51Å; K69-Y80 PolarHBondContact N-O 2.71Å; K69-Y80 PolarHBondContact O-N 3.26Å; Y80-T160 WeakPolarHBondContact CE1-O 3.41Å; Y80-L161 HydrophobicContact CD1-CB 4.4Å; Y80-L161 HydrophobicContact CD1-CD1 3.47Å; Y80-L161 VanDerWaalsContact CD1-CD1 3.47Å; Y80-L161 HydrophobicContact CD1-CG 3.79Å; Y80-L161 HydrophobicContact CE1-CB 4.23Å; Y80-L161 HydrophobicContact CE1-CD1 4.04Å; Y80-L161 HydrophobicContact CE1-CG 4.11Å; Y80-L161 HydrophobicContact CG-CD1 4.24Å |
| 81 | R | 98.6 | Very high | 97.4 | Very high | 14 Ų | 14 | 45.3 Ų | 45.3 | 5% | 0.053 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 145.2 | 175 | 58.6 | 159.5 | -179.7 | -134.3 | 1.2 | 112.4 | C19 E20 L22 L66 M67 Y79 S521 | C19-R81 PolarHBondContact SG-NH1 2.71Å; E20-R81 PolarHBondContact O-NE 3.23Å; E20-R81 PolarHBondContact O-NH2 3.29Å; L22-R81 HydrophobicContact CD1-CG 3.85Å; L22-R81 HydrophobicContact CG-CG 3.85Å; L22-R81 PolarHBondContact N-O 3.06Å; L22-R81 VanDerWaalsContact N-O 3.12Å; L66-R81 HydrophobicContact CD1-CB 4.17Å; L66-R81 HydrophobicContact CG-CB 4.43Å; M67-R81 CarbonylContact O-C 3.54Å; M67-R81 WeakPolarHBondContact O-CA 3.47Å; M67-R81 WeakPolarHBondContact O-CB 3.47Å; Y79-R81 HydrophobicContact CE1-CG 4.29Å; Y79-R81 WeakPolarHBondContact OH-CD 3.42Å; R81-S521 PolarHBondContact NH1-O 3.45Å |
| 82 | K | 98.6 | Very high | 97.3 | Very high | 39 Ų | 39 | 43.3 Ų | 43.3 | 17% | 0.17 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 138.7 | 179.7 | -164 | 166.5 | -177.5 | 172 | 0 | 110.7 | M67 L161 E162 | M67-K82 PolarHBondContact N-O 2.98Å; M67-K82 PolarHBondContact O-N 2.92Å; K82-L161 HydrophobicContact CB-CB 3.87Å; K82-L161 HydrophobicContact CB-CD1 4.49Å; K82-E162 IonicContact NZ-OE1 2.66Å |
| 83 | F | 98.8 | Very high | 97.2 | Very high | 9 Ų | 9 | 47 Ų | 47 | 4% | 0.039 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 137.5 | 174 | -72.4 | -80.4 | 0 | 0 | 0 | 110.4 | C19 E21 L49 Q64 A65 L66 R85 Y89 | C19-F83 VanDerWaalsContact O-CZ 3.31Å; C19-F83 WeakPolarHBondContact O-CZ 3.39Å; E21-F83 HydrophobicContact CB-CD2 4.12Å; E21-F83 HydrophobicContact CB-CE2 4.49Å; L49-F83 HydrophobicContact CB-CE1 3.66Å; L49-F83 HydrophobicContact CB-CZ 3.85Å; Q64-F83 HydrophobicContact CB-CD1 4.5Å; A65-F83 WeakPolarHBondContact O-CA 3.34Å; L66-F83 HydrophobicContact CB-CD1 4.13Å; L66-F83 HydrophobicContact CB-CE1 4.12Å; L66-F83 HydrophobicContact CD1-CD1 3.98Å; L66-F83 HydrophobicContact CD1-CD2 4.17Å; L66-F83 HydrophobicContact CD1-CE1 4.11Å; L66-F83 HydrophobicContact CD1-CE2 4.29Å; L66-F83 HydrophobicContact CD1-CG 4Å; L66-F83 HydrophobicContact CD1-CZ 4.26Å; F83-R85 PolarHBondContact O-N 3.02Å; F83-R85 PolarHBondContact O-NH1 3.26Å; F83-Y89 HydrophobicContact CB-CD1 4.47Å; F83-Y89 HydrophobicContact CB-CD2 4.09Å; F83-Y89 HydrophobicContact CB-CE1 4.04Å; F83-Y89 HydrophobicContact CB-CE2 3.6Å; F83-Y89 HydrophobicContact CB-CG 4.49Å; F83-Y89 HydrophobicContact CD1-CD2 4.15Å; F83-Y89 AromaticContact CD1-CE2 3.7Å; F83-Y89 HydrophobicContact CD1-CE2 3.7Å; F83-Y89 AromaticContact CD2-CE2 3.91Å; F83-Y89 HydrophobicContact CD2-CE2 3.91Å; F83-Y89 AromaticContact CD2-CZ 3.91Å; F83-Y89 WeakPolarHBondContact CD2-OH 3.18Å; F83-Y89 HydrophobicContact CE1-CE2 4.32Å; F83-Y89 HydrophobicContact CG-CD2 4.2Å; F83-Y89 AromaticContact CG-CE2 3.47Å; F83-Y89 HydrophobicContact CG-CE2 3.47Å; F83-Y89 VanDerWaalsContact CG-CE2 3.47Å; F83-Y89 AromaticContact CG-CZ 3.73Å |
| 84 | V | 98.7 | Very high | 97.2 | Very high | 2 Ų | 2 | 45.3 Ų | 45.3 | 1% | 0.012 | 24% | 0.235 | C | C | . | . | trans | -71.2 | 122.7 | 172.7 | -169.9 | 0 | 0 | 0 | 0 | 107.7 | L45 A65 M67 T86 T154 V156 T163 | L45-V84 HydrophobicContact CD2-CG2 3.89Å; A65-V84 HydrophobicContact CB-CB 4.06Å; A65-V84 HydrophobicContact CB-CG2 3.96Å; A65-V84 PolarHBondContact O-N 3.4Å; M67-V84 HydrophobicContact CB-CG2 4.3Å; V84-T86 HydrophobicContact CB-CG2 4.11Å; V84-T86 HydrophobicContact CG1-CG2 3.73Å; V84-T86 PolarHBondContact O-N 3.07Å; V84-T154 HydrophobicContact CG1-CG2 3.65Å; V84-V156 HydrophobicContact CG1-CG1 4.32Å; V84-T163 HydrophobicContact CG1-CG2 4.32Å | ||
| 85 | R | 98.5 | Very high | 97.2 | Very high | 83 Ų | 83 | 42.4 Ų | 42.4 | 31% | 0.313 | 22% | 0.217 | S | C | . | . | trans | -78.9 | 62.2 | -177.5 | -55 | -56.7 | -163.3 | -110.5 | 10 | 111.2 | E21 F83 V90 T163 | E21-R85 IonicContact OE1-CZ 2.72Å; E21-R85 IonicContact OE1-NH2 2.76Å; E21-R85 PolarHBondContact OE1-NH2 2.72Å; E21-R85 IonicContact OE2-CZ 3.73Å; E21-R85 VanDerWaalsContact OE2-CZ 3.22Å; E21-R85 IonicContact OE2-NH1 3.69Å; E21-R85 PolarHBondContact OE2-NH1 2.99Å; E21-R85 IonicContact OE2-NH2 2.73Å; E21-R85 PolarHBondContact OE2-NH2 2.73Å; F83-R85 PolarHBondContact O-N 3.02Å; F83-R85 PolarHBondContact O-NH1 3.26Å; R85-V90 HydrophobicContact CB-CG2 4.02Å; R85-T163 HydrophobicContact CB-CG2 4.13Å; R85-T163 PolarHBondContact N-OG1 2.97Å | ||
| 86 | T | 98.5 | Very high | 97.3 | Very high | 3 Ų | 3 | 48.7 Ų | 48.7 | 2% | 0.018 | 24% | 0.236 | C | C | . | . | trans | -73.4 | 165 | 174.5 | 61 | 0 | 0 | 0 | 0 | 110.7 | V84 A88 Y89 V90 D131 | V84-T86 HydrophobicContact CB-CG2 4.11Å; V84-T86 HydrophobicContact CG1-CG2 3.73Å; V84-T86 PolarHBondContact O-N 3.07Å; T86-A88 PolarHBondContact O-N 3Å; T86-Y89 PolarHBondContact O-N 3.4Å; T86-Y89 WeakPolarHBondContact OG1-CB 3.32Å; T86-Y89 PolarHBondContact OG1-N 3.41Å; T86-Y89 VanDerWaalsContact OG1-N 3.12Å; T86-V90 WeakPolarHBondContact O-CB 3.26Å; T86-V90 VanDerWaalsContact O-CG2 3.3Å; T86-V90 WeakPolarHBondContact O-CG2 3.38Å; T86-V90 PolarHBondContact O-N 3.03Å; T86-D131 WeakPolarHBondContact CB-OD1 3.44Å; T86-D131 WeakPolarHBondContact CG2-O 3.48Å | ||
| 87 | D | 97.9 | Very high | 97.2 | Very high | 76 Ų | 76 | 43.4 Ų | 43.4 | 41% | 0.406 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -61.4 | -37.6 | 173.6 | -67.4 | -23 | 0 | 0 | 0 | 110.4 | R91 I100 D131 K166 | D87-R91 WeakPolarHBondContact O-CB 3.45Å; D87-R91 WeakPolarHBondContact O-CG 3.45Å; D87-R91 PolarHBondContact O-N 3.18Å; D87-I100 HydrophobicContact CB-CD1 4.08Å; D87-D131 VanDerWaalsContact CB-OD2 3.29Å; D87-D131 WeakPolarHBondContact CB-OD2 3.48Å; D87-D131 PolarHBondContact N-OD1 2.93Å; D87-D131 PolarHBondContact N-OD2 3.12Å; D87-K166 IonicContact OD2-NZ 2.78Å; D87-K166 PolarHBondContact OD2-NZ 2.83Å |
| 88 | A | 97.3 | Very high | 96.9 | Very high | 2 Ų | 2 | 43.4 Ų | 43.4 | 2% | 0.017 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -55.3 | -52.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q64 T86 A92 I100 D131 N132 | Q64-A88 VanDerWaalsContact OE1-C 3.32Å; T86-A88 PolarHBondContact O-N 3Å; A88-A92 WeakPolarHBondContact O-CB 3.49Å; A88-A92 PolarHBondContact O-N 2.76Å; A88-I100 HydrophobicContact CB-CB 4.35Å; A88-I100 HydrophobicContact CB-CD1 4.3Å; A88-D131 PolarHBondContact N-OD1 2.97Å; A88-N132 HydrophobicContact CB-CB 4.24Å |
| 89 | Y | 98.4 | Very high | 96.6 | Very high | 26 Ų | 26 | 41.8 Ų | 41.8 | 10% | 0.102 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -68.3 | -51 | -178.7 | 179.6 | -95.9 | 0 | 0 | 0 | 112.1 | L49 Q64 F83 T86 R91 A92 I93 | L49-Y89 HydrophobicContact CD2-CE2 4.25Å; Q64-Y89 HydrophobicContact CB-CD2 3.81Å; Q64-Y89 HydrophobicContact CG-CD2 4.14Å; Q64-Y89 VanDerWaalsContact OE1-CA 3.22Å; Q64-Y89 VanDerWaalsContact OE1-N 3.09Å; F83-Y89 HydrophobicContact CB-CD1 4.47Å; F83-Y89 HydrophobicContact CB-CD2 4.09Å; F83-Y89 HydrophobicContact CB-CE1 4.04Å; F83-Y89 HydrophobicContact CB-CE2 3.6Å; F83-Y89 HydrophobicContact CB-CG 4.49Å; F83-Y89 HydrophobicContact CD1-CD2 4.15Å; F83-Y89 AromaticContact CD1-CE2 3.7Å; F83-Y89 HydrophobicContact CD1-CE2 3.7Å; F83-Y89 AromaticContact CD2-CE2 3.91Å; F83-Y89 HydrophobicContact CD2-CE2 3.91Å; F83-Y89 AromaticContact CD2-CZ 3.91Å; F83-Y89 WeakPolarHBondContact CD2-OH 3.18Å; F83-Y89 HydrophobicContact CE1-CE2 4.32Å; F83-Y89 HydrophobicContact CG-CD2 4.2Å; F83-Y89 AromaticContact CG-CE2 3.47Å; F83-Y89 HydrophobicContact CG-CE2 3.47Å; F83-Y89 VanDerWaalsContact CG-CE2 3.47Å; F83-Y89 AromaticContact CG-CZ 3.73Å; T86-Y89 PolarHBondContact O-N 3.4Å; T86-Y89 WeakPolarHBondContact OG1-CB 3.32Å; T86-Y89 PolarHBondContact OG1-N 3.41Å; T86-Y89 VanDerWaalsContact OG1-N 3.12Å; Y89-R91 VanDerWaalsContact C-N 3.33Å; Y89-R91 PolarHBondContact O-N 3.03Å; Y89-A92 PolarHBondContact O-N 2.97Å; Y89-I93 HydrophobicContact CD1-CG1 4.28Å; Y89-I93 HydrophobicContact CD2-CG1 4.21Å; Y89-I93 HydrophobicContact CE1-CG1 3.91Å; Y89-I93 HydrophobicContact CE2-CD1 4.14Å; Y89-I93 HydrophobicContact CE2-CG1 3.85Å; Y89-I93 HydrophobicContact CG-CG1 4.43Å; Y89-I93 WeakPolarHBondContact O-CG1 3.03Å; Y89-I93 PolarHBondContact O-N 2.9Å |
| 90 | V | 98.3 | Very high | 96.2 | Very high | 62 Ų | 62 | 42.1 Ų | 42.1 | 38% | 0.376 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -61 | -43.7 | -175.1 | 170.6 | 0 | 0 | 0 | 0 | 110.8 | R85 T86 T94 | R85-V90 HydrophobicContact CB-CG2 4.02Å; T86-V90 WeakPolarHBondContact O-CB 3.26Å; T86-V90 VanDerWaalsContact O-CG2 3.3Å; T86-V90 WeakPolarHBondContact O-CG2 3.38Å; T86-V90 PolarHBondContact O-N 3.03Å; V90-T94 VanDerWaalsContact O-CB 3.23Å; V90-T94 WeakPolarHBondContact O-CB 3.43Å; V90-T94 PolarHBondContact O-N 2.86Å; V90-T94 PolarHBondContact O-OG1 3.2Å |
| 91 | R | 96.2 | Very high | 95.9 | Very high | 67 Ų | 67 | 41.6 Ų | 41.6 | 25% | 0.253 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -70.3 | -40.1 | 177.4 | -66.3 | 175.1 | 67 | -170.8 | 0.2 | 111.6 | D87 Y89 I93 T94 E95 V99 E128 | D87-R91 WeakPolarHBondContact O-CB 3.45Å; D87-R91 WeakPolarHBondContact O-CG 3.45Å; D87-R91 PolarHBondContact O-N 3.18Å; Y89-R91 VanDerWaalsContact C-N 3.33Å; Y89-R91 PolarHBondContact O-N 3.03Å; R91-I93 PolarHBondContact O-N 2.85Å; R91-T94 PolarHBondContact O-N 3.14Å; R91-E95 IonicContact NE-OE1 3.78Å; R91-E95 WeakPolarHBondContact O-CB 3.35Å; R91-E95 WeakPolarHBondContact O-CG 3.33Å; R91-E95 PolarHBondContact O-N 2.64Å; R91-V99 HydrophobicContact CB-CB 4Å; R91-V99 HydrophobicContact CB-CG1 4.11Å; R91-V99 HydrophobicContact CB-CG2 4.09Å; R91-E128 IonicContact CZ-OE1 3.58Å; R91-E128 IonicContact CZ-OE2 2.65Å; R91-E128 IonicContact NH1-OE1 3.76Å; R91-E128 PolarHBondContact NH1-OE1 3.32Å; R91-E128 IonicContact NH1-OE2 3.94Å; R91-E128 PolarHBondContact NH1-OE2 2.73Å; R91-E128 IonicContact NH2-OE1 2.77Å; R91-E128 IonicContact NH2-OE2 3.15Å; R91-E128 PolarHBondContact NH2-OE2 2.89Å |
| 92 | A | 95.8 | Very high | 95.8 | Very high | 2 Ų | 2 | 41.1 Ų | 41.1 | 2% | 0.017 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -59.8 | -46.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | V52 A88 Y89 K96 R97 | V52-A92 HydrophobicContact CG1-CB 4.26Å; V52-A92 WeakPolarHBondContact CG1-O 3.14Å; V52-A92 HydrophobicContact CG2-CB 4.05Å; A88-A92 WeakPolarHBondContact O-CB 3.49Å; A88-A92 PolarHBondContact O-N 2.76Å; Y89-A92 PolarHBondContact O-N 2.97Å; A92-K96 VanDerWaalsContact O-CA 3.27Å; A92-K96 WeakPolarHBondContact O-CA 3.47Å; A92-K96 PolarHBondContact O-N 3.43Å; A92-R97 WeakPolarHBondContact CA-O 3.48Å; A92-R97 PolarHBondContact O-N 3.07Å |
| 93 | I | 96.4 | Very high | 95.6 | Very high | 79 Ų | 79 | 40.7 Ų | 40.7 | 41% | 0.405 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -68.8 | -38.7 | 177.9 | -60.9 | -55.9 | 0 | 0 | 0 | 111.9 | L49 Y89 R91 | L49-I93 HydrophobicContact CD2-CD1 3.91Å; Y89-I93 HydrophobicContact CD1-CG1 4.28Å; Y89-I93 HydrophobicContact CD2-CG1 4.21Å; Y89-I93 HydrophobicContact CE1-CG1 3.91Å; Y89-I93 HydrophobicContact CE2-CD1 4.14Å; Y89-I93 HydrophobicContact CE2-CG1 3.85Å; Y89-I93 HydrophobicContact CG-CG1 4.43Å; Y89-I93 WeakPolarHBondContact O-CG1 3.03Å; Y89-I93 PolarHBondContact O-N 2.9Å; R91-I93 PolarHBondContact O-N 2.85Å |
| 94 | T | 95.4 | Very high | 95.5 | Very high | 106 Ų | 106 | 40.4 Ų | 40.4 | 65% | 0.65 | 20% | 0.196 | S | C | * | . | H | α-helix | trans | -68.4 | -43.9 | -179.8 | -59.5 | 0 | 0 | 0 | 0 | 111.9 | V90 R91 | V90-T94 VanDerWaalsContact O-CB 3.23Å; V90-T94 WeakPolarHBondContact O-CB 3.43Å; V90-T94 PolarHBondContact O-N 2.86Å; V90-T94 PolarHBondContact O-OG1 3.2Å; R91-T94 PolarHBondContact O-N 3.14Å |
| 95 | E | 92.8 | Very high | 95.2 | Very high | 70 Ų | 70 | 40.5 Ų | 40.5 | 33% | 0.327 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -90.9 | -6.9 | -177.1 | -59.7 | -174.2 | -142 | 0 | 0 | 113 | R91 R97 V99 | R91-E95 IonicContact NE-OE1 3.78Å; R91-E95 WeakPolarHBondContact O-CB 3.35Å; R91-E95 WeakPolarHBondContact O-CG 3.33Å; R91-E95 PolarHBondContact O-N 2.64Å; E95-R97 VanDerWaalsContact C-N 3.26Å; E95-R97 HydrophobicContact CB-CG 3.97Å; E95-R97 PolarHBondContact O-N 3.46Å; E95-R97 IonicContact OE2-CZ 3.61Å; E95-R97 VanDerWaalsContact OE2-CZ 3.29Å; E95-R97 IonicContact OE2-NE 2.78Å; E95-R97 PolarHBondContact OE2-NE 2.94Å; E95-R97 IonicContact OE2-NH2 3.54Å; E95-R97 PolarHBondContact OE2-NH2 2.9Å; E95-V99 HydrophobicContact CB-CG2 3.77Å; E95-V99 HydrophobicContact CG-CG2 4.04Å |
| 96 | K | 93.6 | Very high | 94.8 | Very high | 165 Ų | 165 | 38.8 Ų | 38.8 | 72% | 0.717 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.7 | 38.2 | -179.2 | -57.5 | 179.6 | 178.5 | -177.6 | 0 | 113.6 | A92 | A92-K96 VanDerWaalsContact O-CA 3.27Å; A92-K96 WeakPolarHBondContact O-CA 3.47Å; A92-K96 PolarHBondContact O-N 3.43Å |
| 97 | R | 92.7 | Very high | 94.2 | Very high | 32 Ų | 32 | 39 Ų | 39 | 12% | 0.121 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -159 | 168.3 | 179.4 | 65.8 | -177.1 | -169.3 | 81.8 | 3.3 | 110.3 | A92 E95 V99 Y108 | A92-R97 WeakPolarHBondContact CA-O 3.48Å; A92-R97 PolarHBondContact O-N 3.07Å; E95-R97 VanDerWaalsContact C-N 3.26Å; E95-R97 HydrophobicContact CB-CG 3.97Å; E95-R97 PolarHBondContact O-N 3.46Å; E95-R97 IonicContact OE2-CZ 3.61Å; E95-R97 VanDerWaalsContact OE2-CZ 3.29Å; E95-R97 IonicContact OE2-NE 2.78Å; E95-R97 PolarHBondContact OE2-NE 2.94Å; E95-R97 IonicContact OE2-NH2 3.54Å; E95-R97 PolarHBondContact OE2-NH2 2.9Å; R97-V99 HydrophobicContact CG-CG2 3.97Å; R97-V99 PolarHBondContact O-N 2.86Å; R97-Y108 PolarHBondContact NH1-O 3Å |
| 98 | V | 92.9 | Very high | 93.3 | Very high | 4 Ų | 4 | 43 Ų | 43 | 2% | 0.024 | 21% | 0.205 | C | C | . | . | trans | -74.4 | 119 | 170.8 | -176.2 | 0 | 0 | 0 | 0 | 109.1 | V52 E55 F57 I100 T105 A107 | V52-V98 HydrophobicContact CB-CG2 4.45Å; V52-V98 HydrophobicContact CG2-CG2 4.27Å; E55-V98 HydrophobicContact CB-CG2 4.07Å; E55-V98 WeakPolarHBondContact OE2-CB 3.2Å; E55-V98 PolarHBondContact OE2-N 3.18Å; F57-V98 HydrophobicContact CD1-CG2 4.35Å; F57-V98 HydrophobicContact CE1-CB 4.41Å; F57-V98 HydrophobicContact CE1-CG1 3.77Å; F57-V98 HydrophobicContact CE1-CG2 3.7Å; F57-V98 HydrophobicContact CZ-CG1 4.33Å; F57-V98 HydrophobicContact CZ-CG2 3.85Å; V98-I100 WeakPolarHBondContact CG1-O 3.48Å; V98-T105 HydrophobicContact CG1-CG2 4.18Å; V98-A107 HydrophobicContact CG1-CB 4.03Å | ||
| 99 | V | 91.1 | Very high | 92.2 | Very high | 12 Ų | 12 | 46.3 Ų | 46.3 | 7% | 0.073 | 23% | 0.226 | C | C | . | . | trans | -106.2 | -33.7 | -173.9 | -174.7 | 0 | 0 | 0 | 0 | 112.9 | R91 E95 R97 A107 | R91-V99 HydrophobicContact CB-CB 4Å; R91-V99 HydrophobicContact CB-CG1 4.11Å; R91-V99 HydrophobicContact CB-CG2 4.09Å; E95-V99 HydrophobicContact CB-CG2 3.77Å; E95-V99 HydrophobicContact CG-CG2 4.04Å; R97-V99 HydrophobicContact CG-CG2 3.97Å; R97-V99 PolarHBondContact O-N 2.86Å; V99-A107 VanDerWaalsContact C-CB 3.48Å; V99-A107 WeakPolarHBondContact O-CB 3.49Å | ||
| 100 | I | 91.7 | Very high | 90.5 | Very high | 7 Ų | 7 | 46.9 Ų | 46.9 | 4% | 0.036 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -110.7 | 133.7 | 178.8 | -72.1 | 177 | 0 | 0 | 0 | 108.1 | D87 A88 V98 E102 A107 | D87-I100 HydrophobicContact CB-CD1 4.08Å; A88-I100 HydrophobicContact CB-CB 4.35Å; A88-I100 HydrophobicContact CB-CD1 4.3Å; V98-I100 WeakPolarHBondContact CG1-O 3.48Å; I100-E102 PolarHBondContact O-N 2.9Å; I100-A107 VanDerWaalsContact C-CB 3.48Å |
| 101 | T | 92.7 | Very high | 88.6 | Confident | 14 Ų | 14 | 49.5 Ų | 49.5 | 9% | 0.086 | 25% | 0.25 | C | C | . | . | trans | -65.2 | 123.9 | 175.4 | -69.7 | 0 | 0 | 0 | 0 | 109.3 | T105 F106 A107 N275 Y276 | T101-T105 WeakPolarHBondContact CA-O 3.23Å; T101-F106 HydrophobicContact CG2-CD2 4.27Å; T101-F106 WeakPolarHBondContact OG1-CD2 3.45Å; T101-A107 PolarHBondContact OG1-N 2.87Å; T101-A107 VanDerWaalsContact OG1-N 3.1Å; T101-N275 HydrophobicContact CG2-CB 4.13Å; T101-Y276 HydrophobicContact CG2-CD2 4.48Å; T101-Y276 HydrophobicContact CG2-CE2 4.26Å | ||
| 102 | E | 95.8 | Very high | 86.7 | Confident | 4 Ų | 4 | 51.9 Ų | 51.9 | 2% | 0.019 | 28% | 0.275 | C | S | . | . | trans | -94.3 | -175.1 | 174.2 | -58.1 | -65.6 | -177.7 | 0 | 0 | 110.3 | F57 D62 Q64 I100 G104 T105 T130 N132 Y276 | F57-E102 HydrophobicContact CD1-CG 4.21Å; F57-E102 HydrophobicContact CE1-CG 3.69Å; D62-E102 HydrophobicContact CB-CB 3.9Å; D62-E102 HydrophobicContact CB-CG 4.45Å; D62-E102 WeakPolarHBondContact OD1-CB 3.3Å; Q64-E102 PolarHBondContact NE2-OE1 3.17Å; I100-E102 PolarHBondContact O-N 2.9Å; E102-G104 PolarHBondContact O-N 3.36Å; E102-T105 PolarHBondContact N-O 3.35Å; E102-T130 WeakPolarHBondContact OE2-CB 3.43Å; E102-T130 PolarHBondContact OE2-OG1 2.69Å; E102-N132 WeakPolarHBondContact OE2-CB 3.46Å; E102-Y276 VanDerWaalsContact O-CD2 3.25Å; E102-Y276 WeakPolarHBondContact O-CD2 3.12Å | ||
| 103 | F | 95 | Very high | 84.6 | Confident | 30 Ų | 30 | 57 Ų | 57 | 13% | 0.132 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -53.4 | -52.8 | -173.6 | -179.2 | -98.6 | 0 | 0 | 0 | 113.5 | H59 F61 D62 N275 Y276 M277 F280 F337 Y339 | H59-F103 HydrophobicContact CB-CD1 4.27Å; H59-F103 AromaticContact CE1-CD1 3.75Å; H59-F103 AromaticContact CE1-CE1 3.59Å; H59-F103 AromaticContact CG-CD1 3.7Å; H59-F103 AromaticContact ND1-CD1 3.42Å; H59-F103 WeakPolarHBondContact ND1-CD1 3.41Å; H59-F103 AromaticContact ND1-CE1 3.76Å; H59-F103 AromaticContact NE2-CE1 3.79Å; F61-F103 HydrophobicContact CB-CB 4.15Å; F61-F103 HydrophobicContact CB-CD1 4.39Å; F61-F103 HydrophobicContact CB-CG 4.35Å; F61-F103 HydrophobicContact CD2-CD1 4.3Å; F61-F103 HydrophobicContact CD2-CE1 4.48Å; D62-F103 WeakPolarHBondContact OD1-CA 3.45Å; D62-F103 VanDerWaalsContact OD1-CB 3.29Å; D62-F103 WeakPolarHBondContact OD1-CB 3.35Å; D62-F103 PolarHBondContact OD1-N 3.34Å; F103-N275 WeakPolarHBondContact O-CB 3.38Å; F103-Y276 PolarHBondContact O-N 3.22Å; F103-M277 HydrophobicContact CE1-CB 4.12Å; F103-M277 HydrophobicContact CE1-CG 4.27Å; F103-M277 HydrophobicContact CE1-SD 3.45Å; F103-M277 WeakPolarHBondContact CE1-SD 3.34Å; F103-M277 HydrophobicContact CZ-CB 4.34Å; F103-M277 HydrophobicContact CZ-SD 3.46Å; F103-M277 WeakPolarHBondContact CZ-SD 3.39Å; F103-M277 PolarHBondContact O-N 2.93Å; F103-F280 HydrophobicContact CE2-CD2 4.49Å; F103-F280 AromaticContact CE2-CE2 3.61Å; F103-F280 HydrophobicContact CE2-CE2 3.61Å; F103-F280 HydrophobicContact CE2-CZ 4.12Å; F103-F280 HydrophobicContact CZ-CD2 4.46Å; F103-F280 AromaticContact CZ-CE2 3.97Å; F103-F280 HydrophobicContact CZ-CE2 3.97Å; F103-F337 HydrophobicContact CZ-CE1 4.09Å; F103-F337 HydrophobicContact CZ-CZ 4.37Å; F103-Y339 AromaticContact CE1-CD2 3.84Å; F103-Y339 HydrophobicContact CE1-CD2 3.84Å; F103-Y339 HydrophobicContact CE2-CD2 4.29Å; F103-Y339 AromaticContact CZ-CD2 3.53Å; F103-Y339 HydrophobicContact CZ-CD2 3.53Å; F103-Y339 HydrophobicContact CZ-CE2 4.28Å; F103-Y339 HydrophobicContact CZ-CG 4.49Å |
| 104 | G | 94.9 | Very high | 82.2 | Confident | 2 Ų | 2 | 59.5 Ų | 59.5 | 2% | 0.021 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -114.4 | -3.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | D62 E102 N275 | D62-G104 PolarHBondContact OD1-N 3.05Å; D62-G104 VanDerWaalsContact OD2-C 3.31Å; D62-G104 WeakPolarHBondContact OD2-CA 3.49Å; D62-G104 PolarHBondContact OD2-N 3.43Å; E102-G104 PolarHBondContact O-N 3.36Å; G104-N275 PolarHBondContact O-ND2 3.34Å |
| 105 | T | 93.4 | Very high | 79.9 | Confident | 4 Ų | 4 | 59.9 Ų | 59.9 | 3% | 0.025 | 31% | 0.308 | C | S | . | . | trans | -110.8 | 116.2 | 178 | -67.6 | 0 | 0 | 0 | 0 | 111.6 | F57 Y58 D62 V98 T101 E102 | F57-T105 WeakPolarHBondContact CA-OG1 3.16Å; F57-T105 HydrophobicContact CD1-CG2 3.98Å; F57-T105 HydrophobicContact CE1-CG2 4.41Å; Y58-T105 HydrophobicContact CD2-CG2 4.08Å; Y58-T105 WeakPolarHBondContact CD2-OG1 3.33Å; Y58-T105 HydrophobicContact CE2-CG2 4.23Å; Y58-T105 PolarHBondContact N-OG1 3.39Å; D62-T105 PolarHBondContact OD2-N 2.92Å; D62-T105 VanDerWaalsContact OD2-N 3.09Å; D62-T105 PolarHBondContact OD2-OG1 2.86Å; V98-T105 HydrophobicContact CG1-CG2 4.18Å; T101-T105 WeakPolarHBondContact CA-O 3.23Å; E102-T105 PolarHBondContact N-O 3.35Å | ||
| 106 | F | 90 | Very high | 77.5 | Confident | 47 Ų | 47 | 65.4 Ų | 65.4 | 21% | 0.206 | 33% | 0.331 | C | S | . | . | P | Polyproline II helix | trans | -78.5 | 129.9 | 172.2 | 178.7 | -110.9 | 0 | 0 | 0 | 111.5 | T101 Y108 S274 | T101-F106 HydrophobicContact CG2-CD2 4.27Å; T101-F106 WeakPolarHBondContact OG1-CD2 3.45Å; F106-Y108 AromaticContact CD1-CD1 3.87Å; F106-Y108 HydrophobicContact CD1-CD1 3.87Å; F106-Y108 HydrophobicContact CD1-CD2 4.28Å; F106-Y108 AromaticContact CD1-CE1 3.74Å; F106-Y108 HydrophobicContact CD1-CE1 3.74Å; F106-Y108 HydrophobicContact CD1-CE2 4.16Å; F106-Y108 HydrophobicContact CD1-CG 4.14Å; F106-Y108 AromaticContact CD1-CZ 3.9Å; F106-Y108 AromaticContact CE1-CD1 3.7Å; F106-Y108 HydrophobicContact CE1-CD1 3.7Å; F106-Y108 AromaticContact CE1-CE1 3.89Å; F106-Y108 HydrophobicContact CE1-CE1 3.89Å; F106-Y108 HydrophobicContact CE1-CG 4.17Å; F106-S274 VanDerWaalsContact CD2-N 3.27Å; F106-S274 WeakPolarHBondContact CD2-O 3.44Å |
| 107 | A | 86.4 | Confident | 75.3 | Confident | 9 Ų | 9 | 59.8 Ų | 59.8 | 7% | 0.074 | 31% | 0.312 | C | S | . | . | P | Polyproline II helix | trans | -84.9 | 119.4 | 173 | 0 | 0 | 0 | 0 | 0 | 110.7 | V98 V99 I100 T101 | V98-A107 HydrophobicContact CG1-CB 4.03Å; V99-A107 VanDerWaalsContact C-CB 3.48Å; V99-A107 WeakPolarHBondContact O-CB 3.49Å; I100-A107 VanDerWaalsContact C-CB 3.48Å; T101-A107 PolarHBondContact OG1-N 2.87Å; T101-A107 VanDerWaalsContact OG1-N 3.1Å |
| 108 | Y | 79.1 | Confident | 73.1 | Confident | 159 Ų | 159 | 59.1 Ų | 59.1 | 62% | 0.624 | 31% | 0.313 | S | S | * | . | P | Polyproline II helix | trans | -77.2 | 145.6 | 177 | -68.9 | -84 | 0 | 0 | 0 | 111.4 | R97 F106 | R97-Y108 PolarHBondContact NH1-O 3Å; F106-Y108 AromaticContact CD1-CD1 3.87Å; F106-Y108 HydrophobicContact CD1-CD1 3.87Å; F106-Y108 HydrophobicContact CD1-CD2 4.28Å; F106-Y108 AromaticContact CD1-CE1 3.74Å; F106-Y108 HydrophobicContact CD1-CE1 3.74Å; F106-Y108 HydrophobicContact CD1-CE2 4.16Å; F106-Y108 HydrophobicContact CD1-CG 4.14Å; F106-Y108 AromaticContact CD1-CZ 3.9Å; F106-Y108 AromaticContact CE1-CD1 3.7Å; F106-Y108 HydrophobicContact CE1-CD1 3.7Å; F106-Y108 AromaticContact CE1-CE1 3.89Å; F106-Y108 HydrophobicContact CE1-CE1 3.89Å; F106-Y108 HydrophobicContact CE1-CG 4.17Å |
| 109 | P | 73.4 | Confident | 70.9 | Confident | 72 Ų | 72 | 67.5 Ų | 67.5 | 47% | 0.468 | 34% | 0.344 | S | S | . | . | P | Polyproline II helix | trans | -57.6 | 144.4 | 168.5 | -21.9 | 32.5 | 0 | 0 | 0 | 110.8 | P111 | P109-P111 WeakPolarHBondContact O-CD 3.45Å; P109-P111 VanDerWaalsContact O-N 3.13Å |
| 110 | D | 63.1 | Low | 68.3 | Low | 37 Ų | 37 | 73.5 Ų | 73.5 | 20% | 0.198 | 37% | 0.369 | C | S | . | . | P | Polyproline II helix | trans | -50 | 117 | 178.8 | 178.3 | -6.5 | 0 | 0 | 0 | 111.2 | C112 K113 | D110-C112 PolarHBondContact O-N 2.82Å; D110-C112 VanDerWaalsContact OD1-CB 3.31Å; D110-C112 WeakPolarHBondContact OD1-CB 3.19Å; D110-C112 PolarHBondContact OD1-N 3.28Å; D110-K113 HydrophobicContact CB-CB 4.34Å; D110-K113 HydrophobicContact CB-CD 3.96Å; D110-K113 HydrophobicContact CB-CG 4.03Å; D110-K113 PolarHBondContact O-N 3.05Å; D110-K113 VanDerWaalsContact OD2-CE 3.29Å; D110-K113 WeakPolarHBondContact OD2-CE 3.46Å; D110-K113 IonicContact OD2-NZ 2.98Å |
| 111 | P | 58.3 | Low | 65.8 | Low | 118 Ų | 118 | 79.8 Ų | 79.8 | 77% | 0.766 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -19.7 | -176.9 | 26.5 | -33.8 | 0 | 0 | 0 | 112.9 | P109 K113 | P109-P111 WeakPolarHBondContact O-CD 3.45Å; P109-P111 VanDerWaalsContact O-N 3.13Å; P111-K113 VanDerWaalsContact C-N 3.32Å |
| 112 | C | 56.1 | Low | 63.5 | Low | 117 Ų | 117 | 82.7 Ų | 82.7 | 79% | 0.791 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81 | -11.2 | 175.4 | -63.8 | 0 | 0 | 0 | 0 | 112.9 | D110 | D110-C112 PolarHBondContact O-N 2.82Å; D110-C112 VanDerWaalsContact OD1-CB 3.31Å; D110-C112 WeakPolarHBondContact OD1-CB 3.19Å; D110-C112 PolarHBondContact OD1-N 3.28Å |
| 113 | K | 51.2 | Low | 61 | Low | 110 Ų | 110 | 92 Ų | 92 | 48% | 0.478 | 45% | 0.454 | S | S | . | . | S | Bend | trans | -91.6 | 124.6 | 172.9 | -68.3 | 179.6 | -171.8 | 165.1 | 0 | 109.6 | D110 P111 I115 | D110-K113 HydrophobicContact CB-CB 4.34Å; D110-K113 HydrophobicContact CB-CD 3.96Å; D110-K113 HydrophobicContact CB-CG 4.03Å; D110-K113 PolarHBondContact O-N 3.05Å; D110-K113 VanDerWaalsContact OD2-CE 3.29Å; D110-K113 WeakPolarHBondContact OD2-CE 3.46Å; D110-K113 IonicContact OD2-NZ 2.98Å; P111-K113 VanDerWaalsContact C-N 3.32Å; K113-I115 PolarHBondContact O-N 2.85Å |
| 114 | N | 46.6 | Very low | 58.2 | Low | 131 Ų | 131 | 97.4 Ų | 97.4 | 70% | 0.701 | 48% | 0.478 | S | S | * | . | trans | -45.3 | 133.2 | 175.6 | -81.2 | -24.7 | 0 | 0 | 0 | 111.2 | F116 S117 S118 | N114-F116 PolarHBondContact O-N 2.86Å; N114-S117 PolarHBondContact N-OG 2.93Å; N114-S117 PolarHBondContact O-N 2.79Å; N114-S117 PolarHBondContact O-OG 2.78Å; N114-S118 PolarHBondContact O-N 2.94Å; N114-S118 PolarHBondContact O-OG 2.94Å | ||
| 115 | I | 47.4 | Very low | 56 | Low | 113 Ų | 113 | 104.9 Ų | 104.9 | 58% | 0.579 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -50.5 | -33.5 | -178.9 | -69.3 | 167.9 | 0 | 0 | 0 | 112.4 | K113 S118 R119 | K113-I115 PolarHBondContact O-N 2.85Å; I115-S118 WeakPolarHBondContact CA-OG 3.28Å; I115-S118 PolarHBondContact O-OG 2.87Å; I115-R119 WeakPolarHBondContact O-CB 3.4Å; I115-R119 WeakPolarHBondContact O-CG 3.43Å; I115-R119 PolarHBondContact O-N 2.85Å; I115-R119 VanDerWaalsContact O-N 3.14Å |
| 116 | F | 42.5 | Very low | 54.4 | Low | 187 Ų | 187 | 107.2 Ų | 107.2 | 82% | 0.82 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -71.2 | -38.8 | 175.4 | -83.3 | -84.8 | 0 | 0 | 0 | 113.3 | N114 F120 | N114-F116 PolarHBondContact O-N 2.86Å; F116-F120 WeakPolarHBondContact O-CB 3.35Å; F116-F120 PolarHBondContact O-N 2.75Å; F116-F120 VanDerWaalsContact O-N 3.15Å |
| 117 | S | 46.9 | Very low | 53.5 | Low | 46 Ų | 46 | 108.3 Ų | 108.3 | 32% | 0.322 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -75.5 | -38 | 177.5 | 61 | 0 | 0 | 0 | 0 | 111.6 | N114 F121 | N114-S117 PolarHBondContact N-OG 2.93Å; N114-S117 PolarHBondContact O-N 2.79Å; N114-S117 PolarHBondContact O-OG 2.78Å; S117-F121 VanDerWaalsContact O-CB 3.32Å; S117-F121 WeakPolarHBondContact O-CB 3.4Å; S117-F121 WeakPolarHBondContact O-CD2 3.3Å; S117-F121 PolarHBondContact O-N 3.47Å |
| 118 | S | 46.1 | Very low | 53.4 | Low | 18 Ų | 18 | 112 Ų | 112 | 13% | 0.126 | 56% | 0.56 | C | S | . | * | H | α-helix | trans | -68.6 | -41.8 | 178.3 | 58.3 | 0 | 0 | 0 | 0 | 112.8 | N114 I115 S122 | N114-S118 PolarHBondContact O-N 2.94Å; N114-S118 PolarHBondContact O-OG 2.94Å; I115-S118 WeakPolarHBondContact CA-OG 3.28Å; I115-S118 PolarHBondContact O-OG 2.87Å; S118-S122 VanDerWaalsContact O-CB 3.26Å; S118-S122 WeakPolarHBondContact O-CB 3.39Å; S118-S122 PolarHBondContact O-N 2.77Å; S118-S122 VanDerWaalsContact O-N 3.08Å; S118-S122 PolarHBondContact O-OG 2.73Å |
| 119 | R | 46 | Very low | 53.9 | Low | 181 Ų | 181 | 106 Ų | 106 | 68% | 0.683 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -70.3 | -41.5 | 175.6 | -77.4 | -174.6 | 165.3 | 149.7 | -1.9 | 113.3 | I115 Y123 | I115-R119 WeakPolarHBondContact O-CB 3.4Å; I115-R119 WeakPolarHBondContact O-CG 3.43Å; I115-R119 PolarHBondContact O-N 2.85Å; I115-R119 VanDerWaalsContact O-N 3.14Å; R119-Y123 PolarHBondContact O-N 3.14Å |
| 120 | F | 37.5 | Very low | 55 | Low | 138 Ų | 138 | 103 Ų | 103 | 61% | 0.605 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -68.1 | -46.3 | -179.7 | -154.9 | -97.5 | 0 | 0 | 0 | 110.7 | F116 S122 Y123 F124 | F116-F120 WeakPolarHBondContact O-CB 3.35Å; F116-F120 PolarHBondContact O-N 2.75Å; F116-F120 VanDerWaalsContact O-N 3.15Å; F120-S122 PolarHBondContact O-N 3.3Å; F120-Y123 WeakPolarHBondContact O-CB 3.37Å; F120-Y123 PolarHBondContact O-N 3.38Å; F120-F124 HydrophobicContact CD1-CD2 4.1Å; F120-F124 AromaticContact CD1-CE2 3.68Å; F120-F124 HydrophobicContact CD1-CE2 3.68Å; F120-F124 HydrophobicContact CE1-CD2 4.22Å; F120-F124 AromaticContact CE1-CE2 3.4Å; F120-F124 HydrophobicContact CE1-CE2 3.4Å; F120-F124 HydrophobicContact CE1-CZ 4.19Å; F120-F124 HydrophobicContact CG-CE2 4.36Å; F120-F124 AromaticContact CZ-CE2 3.86Å; F120-F124 HydrophobicContact CZ-CE2 3.86Å; F120-F124 HydrophobicContact CZ-CZ 4.38Å; F120-F124 WeakPolarHBondContact O-CD2 3.4Å |
| 121 | F | 38.6 | Very low | 56.6 | Low | 139 Ų | 139 | 101.3 Ų | 101.3 | 61% | 0.61 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -67.9 | -34 | 177.4 | -87.8 | -84.9 | 0 | 0 | 0 | 113.8 | S117 Y123 F124 K125 | S117-F121 VanDerWaalsContact O-CB 3.32Å; S117-F121 WeakPolarHBondContact O-CB 3.4Å; S117-F121 WeakPolarHBondContact O-CD2 3.3Å; S117-F121 PolarHBondContact O-N 3.47Å; F121-Y123 VanDerWaalsContact C-N 3.28Å; F121-Y123 PolarHBondContact O-N 3.01Å; F121-F124 PolarHBondContact O-N 2.76Å; F121-K125 PolarHBondContact O-N 2.9Å |
| 122 | S | 44.7 | Very low | 58.6 | Low | 75 Ų | 75 | 95.8 Ų | 95.8 | 52% | 0.524 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -65.9 | -32.7 | 175.2 | -58.1 | 0 | 0 | 0 | 0 | 112 | S118 F120 F124 K125 | S118-S122 VanDerWaalsContact O-CB 3.26Å; S118-S122 WeakPolarHBondContact O-CB 3.39Å; S118-S122 PolarHBondContact O-N 2.77Å; S118-S122 VanDerWaalsContact O-N 3.08Å; S118-S122 PolarHBondContact O-OG 2.73Å; F120-S122 PolarHBondContact O-N 3.3Å; S122-F124 PolarHBondContact O-N 3.41Å; S122-K125 PolarHBondContact O-N 3Å |
| 123 | Y | 42.8 | Very low | 60.6 | Low | 198 Ų | 198 | 90.2 Ų | 90.2 | 78% | 0.776 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -63.8 | -28.8 | 175.1 | -160.9 | -91.6 | 0 | 0 | 0 | 112.9 | R119 F120 F121 | R119-Y123 PolarHBondContact O-N 3.14Å; F120-Y123 WeakPolarHBondContact O-CB 3.37Å; F120-Y123 PolarHBondContact O-N 3.38Å; F121-Y123 VanDerWaalsContact C-N 3.28Å; F121-Y123 PolarHBondContact O-N 3.01Å |
| 124 | F | 36.9 | Very low | 62.8 | Low | 145 Ų | 145 | 85 Ų | 85 | 64% | 0.636 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -93.8 | -13.3 | -179.4 | -73.2 | -77.1 | 0 | 0 | 0 | 114.7 | F120 F121 S122 | F120-F124 HydrophobicContact CD1-CD2 4.1Å; F120-F124 AromaticContact CD1-CE2 3.68Å; F120-F124 HydrophobicContact CD1-CE2 3.68Å; F120-F124 HydrophobicContact CE1-CD2 4.22Å; F120-F124 AromaticContact CE1-CE2 3.4Å; F120-F124 HydrophobicContact CE1-CE2 3.4Å; F120-F124 HydrophobicContact CE1-CZ 4.19Å; F120-F124 HydrophobicContact CG-CE2 4.36Å; F120-F124 AromaticContact CZ-CE2 3.86Å; F120-F124 HydrophobicContact CZ-CE2 3.86Å; F120-F124 HydrophobicContact CZ-CZ 4.38Å; F120-F124 WeakPolarHBondContact O-CD2 3.4Å; F121-F124 PolarHBondContact O-N 2.76Å; S122-F124 PolarHBondContact O-N 3.41Å |
| 125 | K | 49.5 | Very low | 65.3 | Low | 159 Ų | 159 | 79.3 Ų | 79.3 | 69% | 0.691 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -98.7 | -2.3 | -172.5 | -92.3 | -167.3 | 169.7 | -165.6 | 0 | 116.4 | F121 S122 | F121-K125 PolarHBondContact O-N 2.9Å; S122-K125 PolarHBondContact O-N 3Å |
| 126 | G | 59.3 | Low | 67.7 | Low | 53 Ų | 53 | 74.8 Ų | 74.8 | 55% | 0.546 | 36% | 0.362 | S | S | . | . | trans | 69.3 | 170 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | E128 | G126-E128 PolarHBondContact O-N 2.95Š| ||
| 127 | V | 71.1 | Confident | 70.4 | Confident | 70 Ų | 70 | 66 Ų | 66 | 42% | 0.424 | 32% | 0.324 | S | S | . | . | trans | -76.1 | 122.8 | -179.1 | 171.7 | 0 | 0 | 0 | 0 | 110.1 | V129 W269 | V127-V129 HydrophobicContact CG1-CG2 4.29Å; V127-V129 PolarHBondContact O-N 2.89Å; V127-W269 HydrophobicContact CG1-CG 4.3Å; V127-W269 HydrophobicContact CG2-CB 4.25Å; V127-W269 VanDerWaalsContact CG2-CD1 3.46Å; V127-W269 HydrophobicContact CG2-CG 4Å | ||
| 128 | E | 83.4 | Confident | 72.9 | Confident | 86 Ų | 86 | 64.2 Ų | 64.2 | 40% | 0.402 | 31% | 0.31 | S | S | . | . | trans | -81.7 | 100.1 | 173.4 | -61.4 | -171.8 | 137.7 | 0 | 0 | 109.6 | R91 G126 | R91-E128 IonicContact CZ-OE1 3.58Å; R91-E128 IonicContact CZ-OE2 2.65Å; R91-E128 IonicContact NH1-OE1 3.76Å; R91-E128 PolarHBondContact NH1-OE1 3.32Å; R91-E128 IonicContact NH1-OE2 3.94Å; R91-E128 PolarHBondContact NH1-OE2 2.73Å; R91-E128 IonicContact NH2-OE1 2.77Å; R91-E128 IonicContact NH2-OE2 3.15Å; R91-E128 PolarHBondContact NH2-OE2 2.89Å; G126-E128 PolarHBondContact O-N 2.95Å | ||
| 129 | V | 91.2 | Very high | 75.3 | Confident | 34 Ų | 34 | 65 Ų | 65 | 21% | 0.206 | 32% | 0.315 | C | S | . | . | trans | -76.7 | 143.4 | 174.6 | 178.9 | 0 | 0 | 0 | 0 | 109.8 | V127 T150 Y152 | V127-V129 HydrophobicContact CG1-CG2 4.29Å; V127-V129 PolarHBondContact O-N 2.89Å; V129-T150 HydrophobicContact CG1-CG2 3.68Å; V129-Y152 HydrophobicContact CB-CD2 4.45Å; V129-Y152 HydrophobicContact CB-CE2 4Å; V129-Y152 WeakPolarHBondContact O-CE2 3.18Å | ||
| 130 | T | 95.5 | Very high | 77.8 | Confident | 9 Ų | 9 | 56.4 Ų | 56.4 | 6% | 0.055 | 28% | 0.282 | C | S | . | . | trans | -67.3 | 140.9 | -178.6 | -174.7 | 0 | 0 | 0 | 0 | 112.1 | E102 N132 T150 Y276 | E102-T130 WeakPolarHBondContact OE2-CB 3.43Å; E102-T130 PolarHBondContact OE2-OG1 2.69Å; T130-N132 WeakPolarHBondContact OG1-CB 3.25Å; T130-N132 PolarHBondContact OG1-N 2.73Å; T130-N132 VanDerWaalsContact OG1-N 3.11Å; T130-T150 HydrophobicContact CG2-CG2 3.79Å; T130-T150 WeakPolarHBondContact O-CG2 3.47Å; T130-T150 PolarHBondContact O-OG1 3.26Å; T130-Y276 HydrophobicContact CG2-CE2 4.15Å; T130-Y276 PolarHBondContact N-OH 3.27Å | ||
| 131 | D | 97.6 | Very high | 80.6 | Confident | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.005 | 27% | 0.266 | C | S | . | . | trans | -114.4 | 17.4 | 169.8 | 67.7 | -15.5 | 0 | 0 | 0 | 112 | T86 D87 A88 C133 Y152 K166 | T86-D131 WeakPolarHBondContact CB-OD1 3.44Å; T86-D131 WeakPolarHBondContact CG2-O 3.48Å; D87-D131 VanDerWaalsContact CB-OD2 3.29Å; D87-D131 WeakPolarHBondContact CB-OD2 3.48Å; D87-D131 PolarHBondContact N-OD1 2.93Å; D87-D131 PolarHBondContact N-OD2 3.12Å; A88-D131 PolarHBondContact N-OD1 2.97Å; D131-C133 VanDerWaalsContact C-N 3.33Å; D131-C133 PolarHBondContact O-N 3.32Å; D131-C133 PolarHBondContact O-SG 3.01Å; D131-Y152 HydrophobicContact CB-CD2 3.99Å; D131-Y152 HydrophobicContact CB-CG 4.06Å; D131-K166 HydrophobicContact CB-CD 4.42Å; D131-K166 WeakPolarHBondContact OD2-CD 3.1Å; D131-K166 WeakPolarHBondContact OD2-CE 3.29Å; D131-K166 IonicContact OD2-NZ 3.75Å; D131-K166 PolarHBondContact OD2-NZ 3Å | ||
| 132 | N | 98.5 | Very high | 83.2 | Confident | 1 Ų | 1 | 51.7 Ų | 51.7 | 1% | 0.005 | 27% | 0.271 | C | S | . | . | trans | -65.1 | 88.5 | 175.1 | -175.1 | 14.8 | 0 | 0 | 0 | 110.8 | D62 G63 A65 A88 E102 T130 L134 T148 | D62-N132 PolarHBondContact O-ND2 2.78Å; G63-N132 PolarHBondContact O-ND2 2.94Å; A65-N132 VanDerWaalsContact CB-OD1 3.29Å; A65-N132 WeakPolarHBondContact CB-OD1 3.35Å; A65-N132 PolarHBondContact N-OD1 2.81Å; A88-N132 HydrophobicContact CB-CB 4.24Å; E102-N132 WeakPolarHBondContact OE2-CB 3.46Å; T130-N132 WeakPolarHBondContact OG1-CB 3.25Å; T130-N132 PolarHBondContact OG1-N 2.73Å; T130-N132 VanDerWaalsContact OG1-N 3.11Å; N132-L134 VanDerWaalsContact C-N 3.27Å; N132-L134 WeakPolarHBondContact O-CD2 3.41Å; N132-L134 PolarHBondContact O-N 2.78Å; N132-T148 VanDerWaalsContact O-CB 3.22Å; N132-T148 WeakPolarHBondContact O-CB 3.38Å | ||
| 133 | C | 98.4 | Very high | 85.7 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 26% | 0.258 | C | S | . | . | trans | -82 | 59 | -172.2 | -70 | 0 | 0 | 0 | 0 | 113.1 | D131 A146 V147 T154 | D131-C133 VanDerWaalsContact C-N 3.33Å; D131-C133 PolarHBondContact O-N 3.32Å; D131-C133 PolarHBondContact O-SG 3.01Å; C133-A146 HydrophobicContact CB-CB 3.84Å; C133-A146 PolarHBondContact SG-O 3.26Å; C133-A146 VanDerWaalsContact SG-O 3.37Å; C133-V147 CarbonylContact C-O 3.52Å; C133-T154 PolarHBondContact SG-OG1 3.34Å | ||
| 134 | L | 98.6 | Very high | 88.4 | Confident | 2 Ų | 2 | 42.4 Ų | 42.4 | 1% | 0.01 | 23% | 0.227 | C | C | . | . | trans | -88.6 | -3.8 | -172.9 | 77.9 | 166.4 | 0 | 0 | 0 | 115.8 | L45 G46 P47 G63 A65 N132 F526 | L45-L134 CarbonylContact C-O 3.51Å; L45-L134 WeakPolarHBondContact CB-O 3.31Å; G46-L134 WeakPolarHBondContact CA-O 3.46Å; G46-L134 PolarHBondContact N-O 3.3Å; P47-L134 HydrophobicContact CB-CD1 4.12Å; G63-L134 WeakPolarHBondContact O-CD1 3.31Å; A65-L134 HydrophobicContact CB-CB 3.77Å; N132-L134 VanDerWaalsContact C-N 3.27Å; N132-L134 WeakPolarHBondContact O-CD2 3.41Å; N132-L134 PolarHBondContact O-N 2.78Å; L134-F526 HydrophobicContact CD1-CE2 3.89Å; L134-F526 HydrophobicContact CG-CE2 4.15Å | ||
| 135 | V | 98.7 | Very high | 91.3 | Very high | 11 Ų | 11 | 35.6 Ų | 35.6 | 7% | 0.067 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -91.3 | -54.5 | -164.7 | -175 | 0 | 0 | 0 | 0 | 112.5 | V147 A180 H527 | V135-V147 WeakPolarHBondContact CB-O 3.32Å; V135-V147 PolarHBondContact N-O 2.88Å; V135-A180 HydrophobicContact CB-CB 3.78Å; V135-A180 HydrophobicContact CG1-CB 3.36Å; V135-H527 WeakPolarHBondContact O-CB 3.32Å; V135-H527 PolarHBondContact O-N 3.42Å; V135-H527 VanDerWaalsContact O-N 3.16Å |
| 136 | N | 98.8 | Very high | 93.7 | Very high | 18 Ų | 18 | 28 Ų | 28 | 10% | 0.096 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 163.4 | -173.1 | -161.9 | 7.9 | 0 | 0 | 0 | 112.6 | L45 A146 V147 A180 H527 G528 | L45-N136 WeakPolarHBondContact CD1-O 3.4Å; N136-A146 CarbonylContact O-C 3.58Å; N136-A146 WeakPolarHBondContact O-CA 3.44Å; N136-V147 HydrophobicContact CB-CG2 3.82Å; N136-V147 PolarHBondContact N-O 2.99Å; N136-V147 WeakPolarHBondContact O-CG2 3.39Å; N136-V147 PolarHBondContact O-N 3.33Å; N136-A180 HydrophobicContact CB-CB 4.15Å; N136-A180 WeakPolarHBondContact CB-O 3.14Å; N136-A180 PolarHBondContact ND2-O 2.68Å; N136-H527 HydrophobicContact CB-CB 3.8Å; N136-H527 VanDerWaalsContact CG-CB 3.44Å; N136-H527 WeakPolarHBondContact OD1-CB 3.14Å; N136-G528 PolarHBondContact OD1-N 3.08Å |
| 137 | V | 98.6 | Very high | 95.6 | Very high | 1 Ų | 1 | 25.5 Ų | 25.5 | 1% | 0.006 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 133.3 | 169.3 | 53.7 | 0 | 0 | 0 | 0 | 109.9 | L43 L45 M67 F144 Y145 V156 M529 | L43-V137 HydrophobicContact CB-CG1 3.96Å; L45-V137 HydrophobicContact CD1-CB 3.65Å; L45-V137 HydrophobicContact CD1-CG1 4.07Å; M67-V137 HydrophobicContact CE-CG1 4.3Å; M67-V137 HydrophobicContact CE-CG2 4.19Å; V137-F144 HydrophobicContact CG2-CB 4.29Å; V137-Y145 VanDerWaalsContact CA-O 3.27Å; V137-Y145 WeakPolarHBondContact CA-O 3.45Å; V137-V156 HydrophobicContact CG2-CG2 4.28Å; V137-M529 HydrophobicContact CG1-CG 4.35Å |
| 138 | Y | 98.1 | Very high | 96.9 | Very high | 9 Ų | 9 | 23 Ų | 23 | 4% | 0.035 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 159.1 | 178.7 | 64.5 | -100.7 | 0 | 0 | 0 | 112.3 | I140 Y145 V147 P182 I184 V190 | Y138-I140 HydrophobicContact CD2-CG1 4.04Å; Y138-I140 HydrophobicContact CE2-CD1 3.74Å; Y138-I140 HydrophobicContact CE2-CG1 3.59Å; Y138-Y145 PolarHBondContact N-O 3.12Å; Y138-Y145 VanDerWaalsContact N-O 3.13Å; Y138-Y145 PolarHBondContact O-N 3.42Å; Y138-V147 HydrophobicContact CD1-CG1 4.19Å; Y138-V147 HydrophobicContact CD1-CG2 4.06Å; Y138-V147 HydrophobicContact CE1-CB 4.13Å; Y138-V147 HydrophobicContact CE1-CG1 3.38Å; Y138-V147 HydrophobicContact CE1-CG2 3.7Å; Y138-P182 HydrophobicContact CD1-CG 3.52Å; Y138-P182 HydrophobicContact CD2-CG 3.76Å; Y138-P182 HydrophobicContact CE1-CG 3.55Å; Y138-P182 HydrophobicContact CE2-CG 3.81Å; Y138-P182 HydrophobicContact CG-CG 3.63Å; Y138-I184 HydrophobicContact CD2-CD1 4.28Å; Y138-V190 HydrophobicContact CE2-CG1 4.33Å |
| 139 | P | 97.9 | Very high | 97.5 | Very high | 34 Ų | 34 | 21.3 Ų | 21.3 | 22% | 0.221 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 143.6 | 179.6 | 32 | -33.9 | 0 | 0 | 0 | 112.5 | D143 F144 I184 M529 | P139-D143 CarbonylContact C-O 3.55Å; P139-D143 VanDerWaalsContact CA-O 3.27Å; P139-D143 WeakPolarHBondContact CA-O 3.48Å; P139-F144 HydrophobicContact CB-CD1 4.12Å; P139-F144 HydrophobicContact CB-CE1 3.96Å; P139-I184 HydrophobicContact CG-CD1 3.89Å; P139-M529 HydrophobicContact CG-CE 4.29Å |
| 140 | I | 98 | Very high | 97.7 | Very high | 1 Ų | 1 | 20.4 Ų | 20.4 | 1% | 0.005 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 108.1 | 162.5 | -56.7 | 174.6 | 0 | 0 | 0 | 106.6 | Y138 E142 D143 Y145 I153 V190 I210 P220 I221 | Y138-I140 HydrophobicContact CD2-CG1 4.04Å; Y138-I140 HydrophobicContact CE2-CD1 3.74Å; Y138-I140 HydrophobicContact CE2-CG1 3.59Å; I140-E142 PolarHBondContact O-N 3.32Å; I140-D143 PolarHBondContact N-O 3.33Å; I140-D143 PolarHBondContact O-N 3.01Å; I140-Y145 HydrophobicContact CB-CD2 3.97Å; I140-Y145 HydrophobicContact CB-CE2 3.82Å; I140-Y145 HydrophobicContact CD1-CD2 3.75Å; I140-Y145 HydrophobicContact CD1-CE2 4.05Å; I140-Y145 HydrophobicContact CD1-CG 4.24Å; I140-Y145 HydrophobicContact CG1-CD2 3.88Å; I140-Y145 HydrophobicContact CG1-CE2 4.2Å; I140-I153 HydrophobicContact CD1-CD1 4.24Å; I140-V190 HydrophobicContact CG1-CG2 4.36Å; I140-I210 HydrophobicContact CD1-CD1 3.95Å; I140-I210 HydrophobicContact CG2-CG2 3.76Å; I140-P220 HydrophobicContact CG2-CB 4.18Å; I140-I221 HydrophobicContact CD1-CD1 4.01Å; I140-I221 HydrophobicContact CD1-CG1 4.16Å; I140-I221 HydrophobicContact CG2-CG1 3.97Å |
| 141 | G | 95.5 | Very high | 97.8 | Very high | 25 Ų | 25 | 20.5 Ų | 20.5 | 26% | 0.258 | 11% | 0.11 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.9 | -126 | -170.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | T213 | G141-T213 WeakPolarHBondContact CA-OG1 3.21Š|
| 142 | E | 94.8 | Very high | 97.8 | Very high | 153 Ų | 153 | 22.7 Ų | 22.7 | 72% | 0.715 | 12% | 0.119 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.5 | -7.2 | 177.6 | -62.8 | -179.2 | -176.3 | 0 | 0 | 113 | I140 | I140-E142 PolarHBondContact O-N 3.32Š|
| 143 | D | 97.3 | Very high | 97.8 | Very high | 47 Ų | 47 | 22.7 Ų | 22.7 | 25% | 0.251 | 12% | 0.118 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 160.4 | -173.3 | -68.7 | -47.3 | 0 | 0 | 0 | 112.2 | P139 I140 Y145 K155 | P139-D143 CarbonylContact C-O 3.55Å; P139-D143 VanDerWaalsContact CA-O 3.27Å; P139-D143 WeakPolarHBondContact CA-O 3.48Å; I140-D143 PolarHBondContact N-O 3.33Å; I140-D143 PolarHBondContact O-N 3.01Å; D143-Y145 HydrophobicContact CB-CD2 4.49Å; D143-Y145 HydrophobicContact CB-CE2 3.59Å; D143-K155 HydrophobicContact CB-CD 4.43Å; D143-K155 WeakPolarHBondContact OD1-CE 3.37Å; D143-K155 IonicContact OD1-NZ 2.68Å; D143-K155 PolarHBondContact OD1-NZ 2.84Å; D143-K155 WeakPolarHBondContact OD2-CE 3.48Å; D143-K155 IonicContact OD2-NZ 3.76Å; D143-K155 PolarHBondContact OD2-NZ 3.4Å |
| 144 | F | 98.4 | Very high | 97.8 | Very high | 32 Ų | 32 | 22.8 Ų | 22.8 | 14% | 0.14 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 139.8 | 180 | -64.1 | -96.3 | 0 | 0 | 0 | 110.8 | V137 P139 K155 V156 T158 M529 K531 | V137-F144 HydrophobicContact CG2-CB 4.29Å; P139-F144 HydrophobicContact CB-CD1 4.12Å; P139-F144 HydrophobicContact CB-CE1 3.96Å; F144-K155 WeakPolarHBondContact O-CA 3.19Å; F144-V156 HydrophobicContact CB-CG2 4.24Å; F144-V156 PolarHBondContact O-N 3.49Å; F144-T158 HydrophobicContact CB-CG2 3.49Å; F144-T158 VanDerWaalsContact CB-CG2 3.49Å; F144-T158 HydrophobicContact CD1-CG2 3.72Å; F144-T158 HydrophobicContact CD2-CG2 3.65Å; F144-T158 HydrophobicContact CE1-CG2 4.34Å; F144-T158 HydrophobicContact CE2-CG2 4.3Å; F144-T158 HydrophobicContact CG-CG2 3.32Å; F144-M529 HydrophobicContact CD1-CE 4.45Å; F144-M529 HydrophobicContact CD1-SD 3.76Å; F144-M529 HydrophobicContact CE1-CE 3.78Å; F144-M529 HydrophobicContact CE1-SD 3.69Å; F144-K531 HydrophobicContact CE1-CD 4.42Å; F144-K531 HydrophobicContact CE2-CD 4.45Å; F144-K531 HydrophobicContact CZ-CD 3.91Å; F144-K531 HydrophobicContact CZ-CG 4.2Å |
| 145 | Y | 98.8 | Very high | 97.8 | Very high | 2 Ų | 2 | 24.7 Ų | 24.7 | 1% | 0.008 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 122.1 | -174.8 | -65.2 | -96.7 | 0 | 0 | 0 | 110.3 | V137 Y138 I140 D143 I153 T154 K155 V167 I221 | V137-Y145 VanDerWaalsContact CA-O 3.27Å; V137-Y145 WeakPolarHBondContact CA-O 3.45Å; Y138-Y145 PolarHBondContact N-O 3.12Å; Y138-Y145 VanDerWaalsContact N-O 3.13Å; Y138-Y145 PolarHBondContact O-N 3.42Å; I140-Y145 HydrophobicContact CB-CD2 3.97Å; I140-Y145 HydrophobicContact CB-CE2 3.82Å; I140-Y145 HydrophobicContact CD1-CD2 3.75Å; I140-Y145 HydrophobicContact CD1-CE2 4.05Å; I140-Y145 HydrophobicContact CD1-CG 4.24Å; I140-Y145 HydrophobicContact CG1-CD2 3.88Å; I140-Y145 HydrophobicContact CG1-CE2 4.2Å; D143-Y145 HydrophobicContact CB-CD2 4.49Å; D143-Y145 HydrophobicContact CB-CE2 3.59Å; Y145-I153 HydrophobicContact CD1-CB 4.41Å; Y145-I153 HydrophobicContact CD1-CD1 3.56Å; Y145-I153 HydrophobicContact CD1-CG1 3.78Å; Y145-I153 HydrophobicContact CE1-CD1 4.09Å; Y145-I153 HydrophobicContact CE1-CG1 4.41Å; Y145-I153 HydrophobicContact CG-CD1 3.97Å; Y145-I153 HydrophobicContact CG-CG1 4.49Å; Y145-T154 CarbonylContact C-O 3.59Å; Y145-T154 WeakPolarHBondContact CA-O 3.45Å; Y145-K155 HydrophobicContact CD1-CB 3.9Å; Y145-K155 HydrophobicContact CE1-CB 3.62Å; Y145-K155 HydrophobicContact CE1-CD 4.39Å; Y145-K155 HydrophobicContact CE1-CG 4.05Å; Y145-V167 HydrophobicContact CE1-CG2 3.95Å; Y145-I221 HydrophobicContact CE1-CD1 3.79Å; Y145-I221 HydrophobicContact CE2-CD1 4.13Å; Y145-I221 WeakPolarHBondContact OH-CD1 3.14Å |
| 146 | A | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 140.3 | 163.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | L45 C133 N136 T154 V156 | L45-A146 HydrophobicContact CD1-CB 3.67Å; L45-A146 HydrophobicContact CD2-CB 4.45Å; C133-A146 HydrophobicContact CB-CB 3.84Å; C133-A146 PolarHBondContact SG-O 3.26Å; C133-A146 VanDerWaalsContact SG-O 3.37Å; N136-A146 CarbonylContact O-C 3.58Å; N136-A146 WeakPolarHBondContact O-CA 3.44Å; A146-T154 PolarHBondContact N-O 3.22Å; A146-T154 PolarHBondContact O-N 3.42Å; A146-V156 HydrophobicContact CB-CG1 4.13Å |
| 147 | V | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 156.8 | -172.8 | -59 | 0 | 0 | 0 | 0 | 113.3 | C133 V135 N136 Y138 I153 A180 | C133-V147 CarbonylContact C-O 3.52Å; V135-V147 WeakPolarHBondContact CB-O 3.32Å; V135-V147 PolarHBondContact N-O 2.88Å; N136-V147 HydrophobicContact CB-CG2 3.82Å; N136-V147 PolarHBondContact N-O 2.99Å; N136-V147 WeakPolarHBondContact O-CG2 3.39Å; N136-V147 PolarHBondContact O-N 3.33Å; Y138-V147 HydrophobicContact CD1-CG1 4.19Å; Y138-V147 HydrophobicContact CD1-CG2 4.06Å; Y138-V147 HydrophobicContact CE1-CB 4.13Å; Y138-V147 HydrophobicContact CE1-CG1 3.38Å; Y138-V147 HydrophobicContact CE1-CG2 3.7Å; V147-I153 HydrophobicContact CB-CG2 4.24Å; V147-I153 HydrophobicContact CG1-CB 3.9Å; V147-I153 HydrophobicContact CG1-CG2 3.47Å; V147-I153 VanDerWaalsContact CG1-CG2 3.47Å; V147-A180 HydrophobicContact CG2-CB 3.79Å |
| 148 | T | 98.3 | Very high | 97.7 | Very high | 16 Ų | 16 | 26 Ų | 26 | 10% | 0.098 | 13% | 0.134 | C | C | . | . | trans | -124.3 | -155.4 | 159.8 | -173.2 | 0 | 0 | 0 | 0 | 107.5 | N132 T150 | N132-T148 VanDerWaalsContact O-CB 3.22Å; N132-T148 WeakPolarHBondContact O-CB 3.38Å; T148-T150 HydrophobicContact CG2-CG2 4.07Å | ||
| 149 | E | 97.5 | Very high | 97.6 | Very high | 51 Ų | 51 | 30 Ų | 30 | 24% | 0.238 | 16% | 0.157 | C | C | . | . | S | Bend | trans | -105.5 | 22 | -177.5 | -56.5 | -163.8 | 133.2 | 0 | 0 | 114.3 | I178 A180 Y240 H242 | E149-I178 CarbonylContact C-O 3.57Å; E149-I178 VanDerWaalsContact CA-O 3.23Å; E149-I178 WeakPolarHBondContact CA-O 3.14Å; E149-A180 HydrophobicContact CG-CB 4.4Å; E149-Y240 WeakPolarHBondContact OE2-CE2 3.45Å; E149-Y240 VanDerWaalsContact OE2-CZ 3.24Å; E149-Y240 PolarHBondContact OE2-OH 3.42Å; E149-H242 IonicContact OE1-CE1 3.67Å; E149-H242 IonicContact OE1-CG 3.59Å; E149-H242 IonicContact OE1-ND1 2.8Å; E149-H242 PolarHBondContact OE1-ND1 3.25Å; E149-H242 VanDerWaalsContact OE1-ND1 3.15Å |
| 150 | T | 95.9 | Very high | 97.6 | Very high | 15 Ų | 15 | 30.9 Ų | 30.9 | 9% | 0.092 | 16% | 0.161 | C | C | . | . | S | Bend | trans | -100.1 | -171.1 | 176.1 | 71.1 | 0 | 0 | 0 | 0 | 110.9 | V129 T130 T148 Y152 G177 I178 | V129-T150 HydrophobicContact CG1-CG2 3.68Å; T130-T150 HydrophobicContact CG2-CG2 3.79Å; T130-T150 WeakPolarHBondContact O-CG2 3.47Å; T130-T150 PolarHBondContact O-OG1 3.26Å; T148-T150 HydrophobicContact CG2-CG2 4.07Å; T150-Y152 VanDerWaalsContact C-N 3.28Å; T150-Y152 PolarHBondContact OG1-N 3.01Å; T150-G177 WeakPolarHBondContact O-CA 3.37Å; T150-I178 PolarHBondContact O-N 3.49Å |
| 151 | N | 96.1 | Very high | 97.6 | Very high | 11 Ų | 11 | 31 Ų | 31 | 6% | 0.059 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -77.4 | -13.2 | 172.1 | 59.8 | -57.7 | 0 | 0 | 0 | 113.4 | D168 M169 C170 | N151-D168 PolarHBondContact ND2-OD1 2.84Å; N151-D168 PolarHBondContact ND2-OD2 3.02Å; N151-M169 WeakPolarHBondContact O-CB 3.05Å; N151-M169 PolarHBondContact O-N 2.78Å; N151-C170 WeakPolarHBondContact CB-SG 3.31Å |
| 152 | Y | 98.1 | Very high | 97.8 | Very high | 48 Ų | 48 | 34 Ų | 34 | 19% | 0.188 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 127.1 | -178 | -64.2 | -53.6 | 0 | 0 | 0 | 111.8 | V129 D131 T150 K166 V167 D168 | V129-Y152 HydrophobicContact CB-CD2 4.45Å; V129-Y152 HydrophobicContact CB-CE2 4Å; V129-Y152 WeakPolarHBondContact O-CE2 3.18Å; D131-Y152 HydrophobicContact CB-CD2 3.99Å; D131-Y152 HydrophobicContact CB-CG 4.06Å; T150-Y152 VanDerWaalsContact C-N 3.28Å; T150-Y152 PolarHBondContact OG1-N 3.01Å; Y152-K166 HydrophobicContact CD1-CD 4.34Å; Y152-K166 HydrophobicContact CD1-CG 4.24Å; Y152-K166 VanDerWaalsContact CG-CE 3.41Å; Y152-V167 WeakPolarHBondContact CA-O 3.45Å; Y152-D168 HydrophobicContact CD1-CB 3.91Å; Y152-D168 HydrophobicContact CE1-CB 3.67Å; Y152-D168 WeakPolarHBondContact CE1-OD2 3.29Å |
| 153 | I | 98.4 | Very high | 98 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 149.9 | 169.3 | 66.2 | 177.6 | 0 | 0 | 0 | 109.8 | I140 Y145 V147 V167 M169 I178 I221 | I140-I153 HydrophobicContact CD1-CD1 4.24Å; Y145-I153 HydrophobicContact CD1-CB 4.41Å; Y145-I153 HydrophobicContact CD1-CD1 3.56Å; Y145-I153 HydrophobicContact CD1-CG1 3.78Å; Y145-I153 HydrophobicContact CE1-CD1 4.09Å; Y145-I153 HydrophobicContact CE1-CG1 4.41Å; Y145-I153 HydrophobicContact CG-CD1 3.97Å; Y145-I153 HydrophobicContact CG-CG1 4.49Å; V147-I153 HydrophobicContact CB-CG2 4.24Å; V147-I153 HydrophobicContact CG1-CB 3.9Å; V147-I153 HydrophobicContact CG1-CG2 3.47Å; V147-I153 VanDerWaalsContact CG1-CG2 3.47Å; I153-V167 HydrophobicContact CD1-CB 4.42Å; I153-V167 HydrophobicContact CD1-CG1 4.48Å; I153-V167 HydrophobicContact CG1-CB 3.77Å; I153-V167 HydrophobicContact CG1-CG1 4.24Å; I153-V167 PolarHBondContact N-O 3.15Å; I153-V167 PolarHBondContact O-N 2.95Å; I153-M169 HydrophobicContact CD1-CG 4.21Å; I153-M169 HydrophobicContact CD1-SD 3.65Å; I153-M169 HydrophobicContact CG1-CG 4.39Å; I153-M169 HydrophobicContact CG1-SD 4.32Å; I153-M169 HydrophobicContact CG2-CG 4.42Å; I153-I178 HydrophobicContact CG2-CD1 3.76Å; I153-I221 HydrophobicContact CD1-CD1 4.19Å |
| 154 | T | 98.8 | Very high | 98 | Very high | 2 Ų | 2 | 30.8 Ų | 30.8 | 1% | 0.012 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 112.6 | -174.9 | -58.7 | 0 | 0 | 0 | 0 | 110.9 | V84 C133 Y145 A146 V156 T163 | V84-T154 HydrophobicContact CG1-CG2 3.65Å; C133-T154 PolarHBondContact SG-OG1 3.34Å; Y145-T154 CarbonylContact C-O 3.59Å; Y145-T154 WeakPolarHBondContact CA-O 3.45Å; A146-T154 PolarHBondContact N-O 3.22Å; A146-T154 PolarHBondContact O-N 3.42Å; T154-V156 HydrophobicContact CG2-CG1 4.36Å; T154-V156 PolarHBondContact O-N 3.13Å; T154-T163 HydrophobicContact CG2-CG2 3.48Å; T154-T163 VanDerWaalsContact CG2-CG2 3.48Å |
| 155 | K | 98.7 | Very high | 98 | Very high | 42 Ų | 42 | 34.8 Ų | 34.8 | 18% | 0.183 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 130.5 | 172.7 | -170.9 | 175.6 | 170.5 | 162.1 | 0 | 109.9 | D143 F144 Y145 L164 K165 | D143-K155 HydrophobicContact CB-CD 4.43Å; D143-K155 WeakPolarHBondContact OD1-CE 3.37Å; D143-K155 IonicContact OD1-NZ 2.68Å; D143-K155 PolarHBondContact OD1-NZ 2.84Å; D143-K155 WeakPolarHBondContact OD2-CE 3.48Å; D143-K155 IonicContact OD2-NZ 3.76Å; D143-K155 PolarHBondContact OD2-NZ 3.4Å; F144-K155 WeakPolarHBondContact O-CA 3.19Å; Y145-K155 HydrophobicContact CD1-CB 3.9Å; Y145-K155 HydrophobicContact CE1-CB 3.62Å; Y145-K155 HydrophobicContact CE1-CD 4.39Å; Y145-K155 HydrophobicContact CE1-CG 4.05Å; K155-L164 HydrophobicContact CB-CB 4.31Å; K155-L164 HydrophobicContact CD-CB 4.49Å; K155-L164 HydrophobicContact CD-CD1 4.42Å; K155-L164 HydrophobicContact CG-CB 4.19Å; K155-L164 HydrophobicContact CG-CD1 4.16Å; K155-L164 WeakPolarHBondContact O-CB 3.48Å; K155-L164 PolarHBondContact O-N 3.42Å; K155-K165 HydrophobicContact CB-CB 4.18Å; K155-K165 WeakPolarHBondContact CB-O 3.18Å; K155-K165 PolarHBondContact N-O 3.35Å; K155-K165 PolarHBondContact O-N 3.47Å |
| 156 | V | 98.7 | Very high | 97.9 | Very high | 4 Ų | 4 | 38 Ų | 38 | 2% | 0.024 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 147.9 | -177.4 | -66.8 | 0 | 0 | 0 | 0 | 111.5 | M67 V84 V137 F144 A146 T154 E162 | M67-V156 HydrophobicContact CE-CG2 4.14Å; M67-V156 HydrophobicContact SD-CB 4.34Å; M67-V156 HydrophobicContact SD-CG2 4.11Å; V84-V156 HydrophobicContact CG1-CG1 4.32Å; V137-V156 HydrophobicContact CG2-CG2 4.28Å; F144-V156 HydrophobicContact CB-CG2 4.24Å; F144-V156 PolarHBondContact O-N 3.49Å; A146-V156 HydrophobicContact CB-CG1 4.13Å; T154-V156 HydrophobicContact CG2-CG1 4.36Å; T154-V156 PolarHBondContact O-N 3.13Å; V156-E162 CarbonylContact C-O 3.58Å; V156-E162 WeakPolarHBondContact CA-O 3.17Å |
| 157 | N | 98.4 | Very high | 97.9 | Very high | 49 Ų | 49 | 38.3 Ų | 38.3 | 26% | 0.262 | 19% | 0.191 | S | C | . | . | trans | -84.6 | 117 | 167.3 | -175.9 | -44.5 | 0 | 0 | 0 | 108.6 | D159 T160 L161 E162 L164 | N157-D159 VanDerWaalsContact C-N 3.3Å; N157-D159 PolarHBondContact O-N 3.47Å; N157-D159 WeakPolarHBondContact OD1-CA 3.45Å; N157-D159 WeakPolarHBondContact OD1-CB 3.09Å; N157-D159 PolarHBondContact OD1-N 3.02Å; N157-T160 WeakPolarHBondContact CB-OG1 3.49Å; N157-T160 VanDerWaalsContact CG-OG1 3.25Å; N157-T160 PolarHBondContact OD1-N 2.71Å; N157-T160 PolarHBondContact OD1-OG1 3.08Å; N157-L161 WeakPolarHBondContact O-CA 3.48Å; N157-L161 PolarHBondContact O-N 3.19Å; N157-E162 HydrophobicContact CB-CB 4.4Å; N157-E162 PolarHBondContact N-O 3.37Å; N157-L164 HydrophobicContact CB-CD1 4.16Å; N157-L164 HydrophobicContact CB-CD2 4.33Å; N157-L164 HydrophobicContact CB-CG 4.34Å | ||
| 158 | T | 97.3 | Very high | 97.9 | Very high | 5 Ų | 5 | 39.9 Ų | 39.9 | 3% | 0.031 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | -15.5 | -176.4 | 49.7 | 0 | 0 | 0 | 0 | 114.2 | L43 M67 K69 F144 K531 | L43-T158 HydrophobicContact CD1-CG2 3.41Å; L43-T158 VanDerWaalsContact CD1-CG2 3.41Å; M67-T158 HydrophobicContact CE-CG2 4.26Å; K69-T158 WeakPolarHBondContact CD-O 3.19Å; F144-T158 HydrophobicContact CB-CG2 3.49Å; F144-T158 VanDerWaalsContact CB-CG2 3.49Å; F144-T158 HydrophobicContact CD1-CG2 3.72Å; F144-T158 HydrophobicContact CD2-CG2 3.65Å; F144-T158 HydrophobicContact CE1-CG2 4.34Å; F144-T158 HydrophobicContact CE2-CG2 4.3Å; F144-T158 HydrophobicContact CG-CG2 3.32Å; T158-K531 PolarHBondContact OG1-NZ 3.03Å |
| 159 | D | 96.3 | Very high | 97.8 | Very high | 94 Ų | 94 | 39.2 Ų | 39.2 | 50% | 0.503 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | -41.9 | 177.7 | -56.6 | -31.4 | 0 | 0 | 0 | 110.7 | K69 N157 K531 | K69-D159 PolarHBondContact NZ-O 2.87Å; N157-D159 VanDerWaalsContact C-N 3.3Å; N157-D159 PolarHBondContact O-N 3.47Å; N157-D159 WeakPolarHBondContact OD1-CA 3.45Å; N157-D159 WeakPolarHBondContact OD1-CB 3.09Å; N157-D159 PolarHBondContact OD1-N 3.02Å; D159-K531 IonicContact OD1-NZ 3.23Å; D159-K531 PolarHBondContact OD1-NZ 3.44Å; D159-K531 IonicContact OD2-NZ 3.34Å |
| 160 | T | 97.5 | Very high | 97.7 | Very high | 52 Ų | 52 | 39.3 Ų | 39.3 | 32% | 0.319 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.9 | -9.5 | -178.1 | 66.4 | 0 | 0 | 0 | 0 | 114.7 | Y80 N157 E162 | Y80-T160 WeakPolarHBondContact CE1-O 3.41Å; N157-T160 WeakPolarHBondContact CB-OG1 3.49Å; N157-T160 VanDerWaalsContact CG-OG1 3.25Å; N157-T160 PolarHBondContact OD1-N 2.71Å; N157-T160 PolarHBondContact OD1-OG1 3.08Å; T160-E162 PolarHBondContact O-N 2.84Å; T160-E162 WeakPolarHBondContact OG1-CB 3.38Å; T160-E162 VanDerWaalsContact OG1-CG 3.3Å; T160-E162 WeakPolarHBondContact OG1-CG 3.43Å; T160-E162 PolarHBondContact OG1-N 2.84Å; T160-E162 PolarHBondContact OG1-OE2 2.8Å; T160-E162 VanDerWaalsContact OG1-OE2 3.1Å |
| 161 | L | 98.4 | Very high | 97.7 | Very high | 3 Ų | 3 | 44.5 Ų | 44.5 | 2% | 0.016 | 23% | 0.228 | C | C | . | . | trans | 58 | 21.4 | -170.4 | -48.6 | -174 | 0 | 0 | 0 | 113.8 | L43 M67 K69 Y80 K82 N157 | L43-L161 HydrophobicContact CD2-CD2 4.08Å; M67-L161 HydrophobicContact CE-CD2 3.94Å; M67-L161 HydrophobicContact CG-CD2 4.12Å; M67-L161 HydrophobicContact SD-CD2 3.74Å; K69-L161 HydrophobicContact CB-CD1 3.91Å; K69-L161 HydrophobicContact CB-CD2 4.05Å; K69-L161 HydrophobicContact CB-CG 4.4Å; K69-L161 HydrophobicContact CD-CD2 4.25Å; Y80-L161 HydrophobicContact CD1-CB 4.4Å; Y80-L161 HydrophobicContact CD1-CD1 3.47Å; Y80-L161 VanDerWaalsContact CD1-CD1 3.47Å; Y80-L161 HydrophobicContact CD1-CG 3.79Å; Y80-L161 HydrophobicContact CE1-CB 4.23Å; Y80-L161 HydrophobicContact CE1-CD1 4.04Å; Y80-L161 HydrophobicContact CE1-CG 4.11Å; Y80-L161 HydrophobicContact CG-CD1 4.24Å; K82-L161 HydrophobicContact CB-CB 3.87Å; K82-L161 HydrophobicContact CB-CD1 4.49Å; N157-L161 WeakPolarHBondContact O-CA 3.48Å; N157-L161 PolarHBondContact O-N 3.19Å | ||
| 162 | E | 98.4 | Very high | 97.7 | Very high | 89 Ų | 89 | 47.4 Ų | 47.4 | 42% | 0.416 | 24% | 0.24 | S | C | . | . | trans | -78.5 | 139.7 | 177.7 | -72.1 | 175.1 | 151 | 0 | 0 | 111.9 | K82 V156 N157 T160 | K82-E162 IonicContact NZ-OE1 2.66Å; V156-E162 CarbonylContact C-O 3.58Å; V156-E162 WeakPolarHBondContact CA-O 3.17Å; N157-E162 HydrophobicContact CB-CB 4.4Å; N157-E162 PolarHBondContact N-O 3.37Å; T160-E162 PolarHBondContact O-N 2.84Å; T160-E162 WeakPolarHBondContact OG1-CB 3.38Å; T160-E162 VanDerWaalsContact OG1-CG 3.3Å; T160-E162 WeakPolarHBondContact OG1-CG 3.43Å; T160-E162 PolarHBondContact OG1-N 2.84Å; T160-E162 PolarHBondContact OG1-OE2 2.8Å; T160-E162 VanDerWaalsContact OG1-OE2 3.1Å | ||
| 163 | T | 98.6 | Very high | 97.5 | Very high | 37 Ų | 37 | 45.6 Ų | 45.6 | 23% | 0.227 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 128.7 | 171.9 | -56.7 | 0 | 0 | 0 | 0 | 110 | V84 R85 T154 | V84-T163 HydrophobicContact CG1-CG2 4.32Å; R85-T163 HydrophobicContact CB-CG2 4.13Å; R85-T163 PolarHBondContact N-OG1 2.97Å; T154-T163 HydrophobicContact CG2-CG2 3.48Å; T154-T163 VanDerWaalsContact CG2-CG2 3.48Å |
| 164 | L | 98.3 | Very high | 97.3 | Very high | 94 Ų | 94 | 49.8 Ų | 49.8 | 49% | 0.492 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | -57.5 | -174.9 | -58.9 | -179.8 | 0 | 0 | 0 | 112.1 | K155 N157 | K155-L164 HydrophobicContact CB-CB 4.31Å; K155-L164 HydrophobicContact CD-CB 4.49Å; K155-L164 HydrophobicContact CD-CD1 4.42Å; K155-L164 HydrophobicContact CG-CB 4.19Å; K155-L164 HydrophobicContact CG-CD1 4.16Å; K155-L164 WeakPolarHBondContact O-CB 3.48Å; K155-L164 PolarHBondContact O-N 3.42Å; N157-L164 HydrophobicContact CB-CD1 4.16Å; N157-L164 HydrophobicContact CB-CD2 4.33Å; N157-L164 HydrophobicContact CB-CG 4.34Å |
| 165 | K | 97.6 | Very high | 97 | Very high | 116 Ų | 116 | 50 Ų | 50 | 50% | 0.504 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.3 | 134.2 | -170.9 | -179 | -179.8 | 175.8 | -169.2 | 0 | 112 | K155 V167 | K155-K165 HydrophobicContact CB-CB 4.18Å; K155-K165 WeakPolarHBondContact CB-O 3.18Å; K155-K165 PolarHBondContact N-O 3.35Å; K155-K165 PolarHBondContact O-N 3.47Å; K165-V167 HydrophobicContact CD-CG2 4.35Å; K165-V167 HydrophobicContact CG-CG2 4.28Å |
| 166 | K | 98.1 | Very high | 96.6 | Very high | 69 Ų | 69 | 52.5 Ų | 52.5 | 30% | 0.3 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 134.1 | 164.6 | -180 | 175.6 | -179.2 | 160.9 | 0 | 110.4 | D87 D131 Y152 | D87-K166 IonicContact OD2-NZ 2.78Å; D87-K166 PolarHBondContact OD2-NZ 2.83Å; D131-K166 HydrophobicContact CB-CD 4.42Å; D131-K166 WeakPolarHBondContact OD2-CD 3.1Å; D131-K166 WeakPolarHBondContact OD2-CE 3.29Å; D131-K166 IonicContact OD2-NZ 3.75Å; D131-K166 PolarHBondContact OD2-NZ 3Å; Y152-K166 HydrophobicContact CD1-CD 4.34Å; Y152-K166 HydrophobicContact CD1-CG 4.24Å; Y152-K166 VanDerWaalsContact CG-CE 3.41Å |
| 167 | V | 98.1 | Very high | 96.3 | Very high | 7 Ų | 7 | 52.8 Ų | 52.8 | 4% | 0.042 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 130.6 | 178.5 | 179.7 | 0 | 0 | 0 | 0 | 108.9 | Y145 Y152 I153 K165 M169 F172 I221 | Y145-V167 HydrophobicContact CE1-CG2 3.95Å; Y152-V167 WeakPolarHBondContact CA-O 3.45Å; I153-V167 HydrophobicContact CD1-CB 4.42Å; I153-V167 HydrophobicContact CD1-CG1 4.48Å; I153-V167 HydrophobicContact CG1-CB 3.77Å; I153-V167 HydrophobicContact CG1-CG1 4.24Å; I153-V167 PolarHBondContact N-O 3.15Å; I153-V167 PolarHBondContact O-N 2.95Å; K165-V167 HydrophobicContact CD-CG2 4.35Å; K165-V167 HydrophobicContact CG-CG2 4.28Å; V167-M169 HydrophobicContact CG1-SD 4.35Å; V167-F172 HydrophobicContact CG1-CE2 3.7Å; V167-F172 HydrophobicContact CG1-CZ 4.45Å; V167-I221 HydrophobicContact CG1-CD1 4.34Å; V167-I221 HydrophobicContact CG1-CG2 4.47Å |
| 168 | D | 97.6 | Very high | 96.2 | Very high | 34 Ų | 34 | 50.9 Ų | 50.9 | 18% | 0.182 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 111.6 | 174.3 | -172.5 | -18 | 0 | 0 | 0 | 109.4 | N151 Y152 C170 N171 F172 | N151-D168 PolarHBondContact ND2-OD1 2.84Å; N151-D168 PolarHBondContact ND2-OD2 3.02Å; Y152-D168 HydrophobicContact CD1-CB 3.91Å; Y152-D168 HydrophobicContact CE1-CB 3.67Å; Y152-D168 WeakPolarHBondContact CE1-OD2 3.29Å; D168-C170 PolarHBondContact O-N 3.15Å; D168-C170 VanDerWaalsContact OD1-CB 3.22Å; D168-C170 WeakPolarHBondContact OD1-CB 3.26Å; D168-C170 PolarHBondContact OD1-N 2.77Å; D168-N171 WeakPolarHBondContact O-CB 3.38Å; D168-N171 PolarHBondContact O-N 2.79Å; D168-F172 WeakPolarHBondContact O-CD2 3.41Å; D168-F172 WeakPolarHBondContact O-CE2 3.31Å |
| 169 | M | 96.9 | Very high | 96.2 | Very high | 2 Ų | 2 | 50.8 Ų | 50.8 | 1% | 0.01 | 27% | 0.266 | C | S | . | . | G | 310 helix | trans | -68 | -22 | -177.4 | -67.1 | -59.5 | -61.8 | 0 | 0 | 113.3 | N151 I153 V167 N171 F172 V173 I175 I178 I210 I221 | N151-M169 WeakPolarHBondContact O-CB 3.05Å; N151-M169 PolarHBondContact O-N 2.78Å; I153-M169 HydrophobicContact CD1-CG 4.21Å; I153-M169 HydrophobicContact CD1-SD 3.65Å; I153-M169 HydrophobicContact CG1-CG 4.39Å; I153-M169 HydrophobicContact CG1-SD 4.32Å; I153-M169 HydrophobicContact CG2-CG 4.42Å; V167-M169 HydrophobicContact CG1-SD 4.35Å; M169-N171 PolarHBondContact O-N 2.83Å; M169-F172 PolarHBondContact O-N 2.68Å; M169-F172 VanDerWaalsContact O-N 3.09Å; M169-V173 HydrophobicContact CE-CG2 4.33Å; M169-V173 WeakPolarHBondContact O-CG2 3.37Å; M169-V173 PolarHBondContact O-N 2.76Å; M169-V173 VanDerWaalsContact O-N 3.15Å; M169-I175 HydrophobicContact CB-CD1 3.75Å; M169-I178 HydrophobicContact CG-CD1 4.22Å; M169-I210 HydrophobicContact CE-CD1 4.08Å; M169-I221 HydrophobicContact CE-CG2 4.22Å; M169-I221 HydrophobicContact SD-CG2 3.99Å |
| 170 | C | 94.8 | Very high | 96.3 | Very high | 53 Ų | 53 | 46.3 Ų | 46.3 | 36% | 0.358 | 24% | 0.242 | S | C | . | . | G | 310 helix | trans | -63.5 | -21.4 | 175.8 | -64.2 | 0 | 0 | 0 | 0 | 112.5 | N151 D168 F172 I175 | N151-C170 WeakPolarHBondContact CB-SG 3.31Å; D168-C170 PolarHBondContact O-N 3.15Å; D168-C170 VanDerWaalsContact OD1-CB 3.22Å; D168-C170 WeakPolarHBondContact OD1-CB 3.26Å; D168-C170 PolarHBondContact OD1-N 2.77Å; C170-F172 PolarHBondContact O-N 2.78Å; C170-I175 PolarHBondContact SG-O 2.76Å |
| 171 | N | 96.5 | Very high | 96.4 | Very high | 124 Ų | 124 | 45.4 Ų | 45.4 | 66% | 0.663 | 23% | 0.234 | S | C | * | . | G | 310 helix | trans | -73 | -16.6 | 176.9 | -68.5 | -25.6 | 0 | 0 | 0 | 113.2 | D168 M169 | D168-N171 WeakPolarHBondContact O-CB 3.38Å; D168-N171 PolarHBondContact O-N 2.79Å; M169-N171 PolarHBondContact O-N 2.83Å |
| 172 | F | 95.9 | Very high | 96.4 | Very high | 71 Ų | 71 | 46.1 Ų | 46.1 | 31% | 0.311 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -115.4 | -33.8 | -173.4 | -52.4 | -77.4 | 0 | 0 | 0 | 112.7 | V167 D168 M169 C170 I221 E222 | V167-F172 HydrophobicContact CG1-CE2 3.7Å; V167-F172 HydrophobicContact CG1-CZ 4.45Å; D168-F172 WeakPolarHBondContact O-CD2 3.41Å; D168-F172 WeakPolarHBondContact O-CE2 3.31Å; M169-F172 PolarHBondContact O-N 2.68Å; M169-F172 VanDerWaalsContact O-N 3.09Å; C170-F172 PolarHBondContact O-N 2.78Å; F172-I221 HydrophobicContact CB-CG2 4.43Å; F172-I221 HydrophobicContact CD1-CG2 4.19Å; F172-I221 HydrophobicContact CD2-CG2 3.51Å; F172-I221 HydrophobicContact CE1-CG2 4.33Å; F172-I221 HydrophobicContact CE2-CG2 3.69Å; F172-I221 HydrophobicContact CG-CG2 3.77Å; F172-I221 HydrophobicContact CZ-CG2 4.09Å; F172-E222 HydrophobicContact CD1-CG 4.48Å; F172-E222 HydrophobicContact CE1-CG 3.98Å |
| 173 | V | 94.9 | Very high | 96.4 | Very high | 11 Ų | 11 | 43 Ų | 43 | 7% | 0.067 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -142.6 | 150.5 | -176 | -78.1 | 0 | 0 | 0 | 0 | 111.9 | M169 I175 V208 S224 | M169-V173 HydrophobicContact CE-CG2 4.33Å; M169-V173 WeakPolarHBondContact O-CG2 3.37Å; M169-V173 PolarHBondContact O-N 2.76Å; M169-V173 VanDerWaalsContact O-N 3.15Å; V173-I175 HydrophobicContact CG2-CD1 4.11Å; V173-I175 HydrophobicContact CG2-CG1 4.05Å; V173-I175 PolarHBondContact O-N 2.92Å; V173-V208 HydrophobicContact CB-CG1 4.5Å; V173-V208 HydrophobicContact CB-CG2 4.27Å; V173-V208 HydrophobicContact CG1-CG1 4.07Å; V173-V208 HydrophobicContact CG2-CG1 4.09Å; V173-V208 HydrophobicContact CG2-CG2 4.04Å; V173-S224 VanDerWaalsContact CG1-CB 3.47Å |
| 174 | N | 92.7 | Very high | 96.4 | Very high | 88 Ų | 88 | 43.4 Ų | 43.4 | 47% | 0.471 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -75 | 89.9 | 177.8 | 178.9 | 26.7 | 0 | 0 | 0 | 111 | C196 M197 N206 | N174-C196 VanDerWaalsContact O-CB 3.29Å; N174-C196 WeakPolarHBondContact O-CB 3.33Å; N174-M197 PolarHBondContact ND2-O 2.88Å; N174-N206 PolarHBondContact O-ND2 3.04Å |
| 175 | I | 92.9 | Very high | 96.3 | Very high | 5 Ų | 5 | 41.7 Ų | 41.7 | 3% | 0.026 | 21% | 0.214 | C | C | . | . | trans | -145.9 | 164.9 | 174.4 | 58.1 | 164.5 | 0 | 0 | 0 | 109.6 | M169 C170 V173 I178 N195 N206 V208 | M169-I175 HydrophobicContact CB-CD1 3.75Å; C170-I175 PolarHBondContact SG-O 2.76Å; V173-I175 HydrophobicContact CG2-CD1 4.11Å; V173-I175 HydrophobicContact CG2-CG1 4.05Å; V173-I175 PolarHBondContact O-N 2.92Å; I175-I178 HydrophobicContact CD1-CB 4.49Å; I175-I178 HydrophobicContact CD1-CG2 3.22Å; I175-N195 CarbonylContact C-O 3.49Å; I175-N195 VanDerWaalsContact CA-O 3.3Å; I175-N195 WeakPolarHBondContact CA-O 3.39Å; I175-N206 HydrophobicContact CG2-CB 4.33Å; I175-V208 HydrophobicContact CG2-CG2 3.78Å | ||
| 176 | N | 91.6 | Very high | 96.1 | Very high | 96 Ų | 96 | 43.8 Ų | 43.8 | 51% | 0.513 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -104.7 | -21.1 | 171.4 | -62.9 | 110.9 | 0 | 0 | 0 | 112.5 | N195 C196 | N176-N195 HydrophobicContact CB-CB 4.44Å; N176-N195 PolarHBondContact N-O 2.95Å; N176-N195 PolarHBondContact OD1-O 3.3Å; N176-C196 WeakPolarHBondContact OD1-CA 3.31Å |
| 177 | G | 91.9 | Very high | 96 | Very high | 10 Ų | 10 | 44.9 Ų | 44.9 | 10% | 0.103 | 24% | 0.235 | C | C | . | . | trans | -172.3 | 166.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | T150 G194 | T150-G177 WeakPolarHBondContact O-CA 3.37Å; G177-G194 WeakPolarHBondContact O-CA 3.36Å | ||
| 178 | I | 94.9 | Very high | 95.9 | Very high | 8 Ų | 8 | 45.7 Ų | 45.7 | 4% | 0.041 | 24% | 0.244 | C | C | . | . | trans | -122.1 | 158.7 | 173.5 | 55.1 | 173.2 | 0 | 0 | 0 | 110 | E149 T150 I153 M169 I175 I193 | E149-I178 CarbonylContact C-O 3.57Å; E149-I178 VanDerWaalsContact CA-O 3.23Å; E149-I178 WeakPolarHBondContact CA-O 3.14Å; T150-I178 PolarHBondContact O-N 3.49Å; I153-I178 HydrophobicContact CG2-CD1 3.76Å; M169-I178 HydrophobicContact CG-CD1 4.22Å; I175-I178 HydrophobicContact CD1-CB 4.49Å; I175-I178 HydrophobicContact CD1-CG2 3.22Å; I178-I193 WeakPolarHBondContact CA-O 3.48Å | ||
| 179 | T | 98.4 | Very high | 95.9 | Very high | 3 Ų | 3 | 44 Ų | 44 | 2% | 0.018 | 24% | 0.236 | C | C | . | . | trans | -71.7 | 159.4 | 170.5 | 75.5 | 0 | 0 | 0 | 0 | 111.7 | H181 N192 I193 V241 H242 | T179-H181 PolarHBondContact O-N 2.8Å; T179-H181 PolarHBondContact OG1-N 3.33Å; T179-N192 PolarHBondContact N-OD1 3.36Å; T179-N192 PolarHBondContact O-ND2 3.17Å; T179-N192 PolarHBondContact OG1-OD1 2.68Å; T179-I193 HydrophobicContact CG2-CG2 3.41Å; T179-I193 VanDerWaalsContact CG2-CG2 3.41Å; T179-I193 PolarHBondContact N-O 2.89Å; T179-I193 VanDerWaalsContact N-O 3.16Å; T179-V241 HydrophobicContact CG2-CG1 4.09Å; T179-H242 VanDerWaalsContact CB-O 3.3Å; T179-H242 WeakPolarHBondContact CB-O 3.23Å | ||
| 180 | A | 98.4 | Very high | 96 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -79.2 | 5.5 | 168.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | V135 N136 V147 E149 P182 | V135-A180 HydrophobicContact CB-CB 3.78Å; V135-A180 HydrophobicContact CG1-CB 3.36Å; N136-A180 HydrophobicContact CB-CB 4.15Å; N136-A180 WeakPolarHBondContact CB-O 3.14Å; N136-A180 PolarHBondContact ND2-O 2.68Å; V147-A180 HydrophobicContact CG2-CB 3.79Å; E149-A180 HydrophobicContact CG-CB 4.4Å; A180-P182 VanDerWaalsContact C-CD 3.44Å; A180-P182 WeakPolarHBondContact O-CD 3.29Å |
| 181 | H | 98.6 | Very high | 96.2 | Very high | 33 Ų | 33 | 42.1 Ų | 42.1 | 15% | 0.153 | 22% | 0.221 | C | C | . | . | trans | -124.3 | 64.4 | -172.6 | -66.4 | -80.6 | 0 | 0 | 0 | 112.1 | T179 H242 H314 H527 | T179-H181 PolarHBondContact O-N 2.8Å; T179-H181 PolarHBondContact OG1-N 3.33Å; H181-H242 AromaticContact CD2-CD2 3.41Å; H181-H242 PolarHBondContact CD2-CD2 3.33Å; H181-H242 VanDerWaalsContact CD2-CD2 3.41Å; H181-H242 AromaticContact CD2-NE2 3.3Å; H181-H242 PolarHBondContact CD2-NE2 2.92Å; H181-H242 VanDerWaalsContact CD2-NE2 3.3Å; H181-H242 PolarHBondContact CD2-O 2.98Å; H181-H242 AromaticContact CE1-NE2 3.98Å; H181-H242 AromaticContact NE2-CD2 3.5Å; H181-H242 PolarHBondContact NE2-CD2 2.96Å; H181-H242 AromaticContact NE2-CE1 3.82Å; H181-H242 AromaticContact NE2-NE2 2.91Å; H181-H242 PolarHBondContact NE2-NE2 2.77Å; H181-H314 AromaticContact CE1-CD2 3.6Å; H181-H314 AromaticContact CE1-NE2 3.63Å; H181-H314 AromaticContact NE2-CD2 3.79Å; H181-H314 AromaticContact NE2-NE2 3.61Å; H181-H527 AromaticContact CE1-CD2 3.5Å; H181-H527 AromaticContact CE1-CE1 3.4Å; H181-H527 PolarHBondContact CE1-CE1 3.23Å; H181-H527 VanDerWaalsContact CE1-CE1 3.4Å; H181-H527 AromaticContact CE1-CG 3.74Å; H181-H527 AromaticContact CE1-ND1 3.68Å; H181-H527 AromaticContact CE1-NE2 3.31Å; H181-H527 PolarHBondContact CE1-NE2 3.29Å; H181-H527 VanDerWaalsContact CE1-NE2 3.31Å; H181-H527 AromaticContact NE2-CD2 3.68Å; H181-H527 AromaticContact NE2-CE1 3.96Å; H181-H527 AromaticContact NE2-NE2 3.43Å; H181-H527 PolarHBondContact NE2-NE2 3.46Å | ||
| 182 | P | 98.6 | Very high | 96.3 | Very high | 19 Ų | 19 | 36.5 Ų | 36.5 | 12% | 0.123 | 19% | 0.191 | C | C | . | . | trans | -68.6 | 151.2 | 172.3 | 33 | -36.9 | 0 | 0 | 0 | 111.1 | Y138 A180 V190 Y191 N192 | Y138-P182 HydrophobicContact CD1-CG 3.52Å; Y138-P182 HydrophobicContact CD2-CG 3.76Å; Y138-P182 HydrophobicContact CE1-CG 3.55Å; Y138-P182 HydrophobicContact CE2-CG 3.81Å; Y138-P182 HydrophobicContact CG-CG 3.63Å; A180-P182 VanDerWaalsContact C-CD 3.44Å; A180-P182 WeakPolarHBondContact O-CD 3.29Å; P182-V190 HydrophobicContact CB-CG1 3.61Å; P182-V190 HydrophobicContact CG-CG1 4.32Å; P182-Y191 CarbonylContact C-O 3.38Å; P182-Y191 WeakPolarHBondContact CA-O 3.36Å; P182-Y191 VanDerWaalsContact CB-O 3.31Å; P182-Y191 WeakPolarHBondContact CB-O 3.3Å; P182-N192 HydrophobicContact CB-CB 4.19Å | ||
| 183 | H | 98.8 | Very high | 96.4 | Very high | 24 Ų | 24 | 33.1 Ų | 33.1 | 11% | 0.111 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 130.2 | 163.9 | -78.5 | -69.5 | 0 | 0 | 0 | 109.9 | Y191 F244 M246 Y424 | H183-Y191 PolarHBondContact N-O 2.67Å; H183-Y191 PolarHBondContact O-N 2.8Å; H183-F244 HydrophobicContact CB-CZ 4.28Å; H183-F244 AromaticContact CD2-CE1 3.81Å; H183-F244 AromaticContact CD2-CE2 3.69Å; H183-F244 AromaticContact CD2-CZ 3.55Å; H183-F244 PolarHBondContact NE2-O 3.43Å; H183-M246 HydrophobicContact CB-CB 4.25Å; H183-M246 HydrophobicContact CB-CE 3.55Å; H183-M246 HydrophobicContact CB-SD 3.74Å; H183-M246 VanDerWaalsContact CD2-CB 3.43Å; H183-M246 WeakPolarHBondContact CD2-CB 3.41Å; H183-M246 PolarHBondContact NE2-N 2.68Å; H183-Y424 AromaticContact ND1-CE2 3.76Å; H183-Y424 AromaticContact ND1-CZ 3.63Å; H183-Y424 PolarHBondContact ND1-OH 3.02Å |
| 184 | I | 98.3 | Very high | 96.5 | Very high | 44 Ų | 44 | 32.8 Ų | 32.8 | 23% | 0.226 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 125.5 | 178.9 | -53.7 | -178.2 | 0 | 0 | 0 | 108.9 | Y138 P139 T189 V190 Y424 | Y138-I184 HydrophobicContact CD2-CD1 4.28Å; P139-I184 HydrophobicContact CG-CD1 3.89Å; I184-T189 WeakPolarHBondContact CA-O 3.02Å; I184-V190 HydrophobicContact CG1-CG1 4.32Å; I184-V190 HydrophobicContact CG1-CG2 4.2Å; I184-V190 HydrophobicContact CG2-CG2 4.49Å; I184-Y424 WeakPolarHBondContact O-CE1 3.42Å |
| 185 | E | 96.6 | Very high | 96.5 | Very high | 59 Ų | 59 | 30.2 Ų | 30.2 | 28% | 0.276 | 16% | 0.161 | S | C | . | . | trans | -81.5 | 164.9 | 175.7 | -60.4 | -157.6 | 105.5 | 0 | 0 | 111.9 | D187 G188 T189 Y191 M246 K295 | E185-D187 WeakPolarHBondContact CB-OD1 3.46Å; E185-D187 PolarHBondContact O-N 2.81Å; E185-G188 PolarHBondContact O-N 2.84Å; E185-T189 PolarHBondContact N-O 2.68Å; E185-Y191 HydrophobicContact CG-CD2 4.34Å; E185-Y191 HydrophobicContact CG-CE2 4.13Å; E185-Y191 WeakPolarHBondContact OE2-CE2 3.46Å; E185-M246 HydrophobicContact CG-CE 4.11Å; E185-K295 VanDerWaalsContact CD-NZ 3.34Å; E185-K295 IonicContact OE1-NZ 2.81Å; E185-K295 PolarHBondContact OE1-NZ 2.84Å; E185-K295 IonicContact OE2-NZ 3.48Å | ||
| 186 | Q | 93.9 | Very high | 96.5 | Very high | 159 Ų | 159 | 30 Ų | 30 | 74% | 0.743 | 16% | 0.16 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -28.2 | -180 | -67 | -176.2 | -9.1 | 0 | 0 | 113.5 | G188 Q425 | Q186-G188 VanDerWaalsContact C-N 3.25Å; Q186-G188 PolarHBondContact O-N 2.84Å; Q186-Q425 PolarHBondContact NE2-O 2.82Å |
| 187 | D | 95.3 | Very high | 96.2 | Very high | 93 Ų | 93 | 30.1 Ų | 30.1 | 50% | 0.497 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | -7.8 | 177 | 76 | -20.5 | 0 | 0 | 0 | 113.2 | E185 T189 P212 | E185-D187 WeakPolarHBondContact CB-OD1 3.46Å; E185-D187 PolarHBondContact O-N 2.81Å; D187-T189 VanDerWaalsContact CG-OG1 3.28Å; D187-T189 WeakPolarHBondContact OD1-CB 3.41Å; D187-T189 PolarHBondContact OD1-N 3.5Å; D187-T189 PolarHBondContact OD1-OG1 3.33Å; D187-T189 PolarHBondContact OD2-OG1 3.12Å; D187-P212 WeakPolarHBondContact O-CB 3.47Å |
| 188 | G | 96.6 | Very high | 95.6 | Very high | 23 Ų | 23 | 30.1 Ų | 30.1 | 24% | 0.237 | 16% | 0.159 | C | C | . | . | S | Bend | trans | 92.4 | 5.4 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | E185 Q186 V190 | E185-G188 PolarHBondContact O-N 2.84Å; Q186-G188 VanDerWaalsContact C-N 3.25Å; Q186-G188 PolarHBondContact O-N 2.84Å; G188-V190 PolarHBondContact O-N 2.93Å |
| 189 | T | 98.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 20% | 0.195 | C | C | . | . | trans | -62.9 | 131.1 | 170.4 | -61.4 | 0 | 0 | 0 | 0 | 109.6 | I184 E185 D187 Y191 R209 P212 | I184-T189 WeakPolarHBondContact CA-O 3.02Å; E185-T189 PolarHBondContact N-O 2.68Å; D187-T189 VanDerWaalsContact CG-OG1 3.28Å; D187-T189 WeakPolarHBondContact OD1-CB 3.41Å; D187-T189 PolarHBondContact OD1-N 3.5Å; D187-T189 PolarHBondContact OD1-OG1 3.33Å; D187-T189 PolarHBondContact OD2-OG1 3.12Å; T189-Y191 HydrophobicContact CG2-CD2 3.94Å; T189-Y191 HydrophobicContact CG2-CE2 3.36Å; T189-R209 HydrophobicContact CG2-CG 3.72Å; T189-R209 PolarHBondContact OG1-NH2 3.35Å; T189-P212 WeakPolarHBondContact OG1-CD 3.35Å | ||
| 190 | V | 98.7 | Very high | 93.4 | Very high | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.006 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 128.5 | 178.9 | -173.9 | 0 | 0 | 0 | 0 | 109.7 | Y138 I140 P182 I184 G188 R209 I210 | Y138-V190 HydrophobicContact CE2-CG1 4.33Å; I140-V190 HydrophobicContact CG1-CG2 4.36Å; P182-V190 HydrophobicContact CB-CG1 3.61Å; P182-V190 HydrophobicContact CG-CG1 4.32Å; I184-V190 HydrophobicContact CG1-CG1 4.32Å; I184-V190 HydrophobicContact CG1-CG2 4.2Å; I184-V190 HydrophobicContact CG2-CG2 4.49Å; G188-V190 PolarHBondContact O-N 2.93Å; V190-R209 CarbonylContact O-C 3.58Å; V190-R209 WeakPolarHBondContact O-CA 3.34Å; V190-I210 HydrophobicContact CB-CB 4.16Å; V190-I210 PolarHBondContact N-O 2.98Å; V190-I210 PolarHBondContact O-N 3.06Å |
| 191 | Y | 98.8 | Very high | 92.5 | Very high | 13 Ų | 13 | 44.1 Ų | 44.1 | 5% | 0.051 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 135.3 | 170.9 | -70.3 | -89.3 | 0 | 0 | 0 | 110.2 | P182 H183 E185 T189 I207 V208 R209 V227 M246 F251 K295 | P182-Y191 CarbonylContact C-O 3.38Å; P182-Y191 WeakPolarHBondContact CA-O 3.36Å; P182-Y191 VanDerWaalsContact CB-O 3.31Å; P182-Y191 WeakPolarHBondContact CB-O 3.3Å; H183-Y191 PolarHBondContact N-O 2.67Å; H183-Y191 PolarHBondContact O-N 2.8Å; E185-Y191 HydrophobicContact CG-CD2 4.34Å; E185-Y191 HydrophobicContact CG-CE2 4.13Å; E185-Y191 WeakPolarHBondContact OE2-CE2 3.46Å; T189-Y191 HydrophobicContact CG2-CD2 3.94Å; T189-Y191 HydrophobicContact CG2-CE2 3.36Å; Y191-I207 HydrophobicContact CD1-CG2 4.02Å; Y191-V208 CarbonylContact C-O 3.59Å; Y191-V208 VanDerWaalsContact CA-O 3.28Å; Y191-V208 WeakPolarHBondContact CA-O 3.45Å; Y191-R209 HydrophobicContact CD1-CB 3.92Å; Y191-R209 HydrophobicContact CD1-CG 4.2Å; Y191-R209 HydrophobicContact CE1-CB 3.67Å; Y191-R209 HydrophobicContact CE1-CG 3.67Å; Y191-R209 HydrophobicContact CE2-CG 4.4Å; Y191-R209 WeakPolarHBondContact OH-CD 3.44Å; Y191-R209 PolarHBondContact OH-NE 2.76Å; Y191-V227 HydrophobicContact CE1-CG2 4.08Å; Y191-M246 HydrophobicContact CD2-SD 3.78Å; Y191-M246 HydrophobicContact CE2-SD 4.43Å; Y191-M246 HydrophobicContact CG-SD 4.07Å; Y191-F251 AromaticContact CD1-CE1 3.85Å; Y191-F251 HydrophobicContact CD1-CE1 3.85Å; Y191-F251 HydrophobicContact CD1-CE2 4.5Å; Y191-F251 AromaticContact CD1-CZ 3.42Å; Y191-F251 HydrophobicContact CD1-CZ 3.42Å; Y191-F251 VanDerWaalsContact CD1-CZ 3.42Å; Y191-F251 HydrophobicContact CE1-CE1 4.31Å; Y191-F251 HydrophobicContact CE1-CE2 4.45Å; Y191-F251 AromaticContact CE1-CZ 3.53Å; Y191-F251 HydrophobicContact CE1-CZ 3.53Å; Y191-F251 HydrophobicContact CG-CE1 4.08Å; Y191-F251 HydrophobicContact CG-CZ 4.11Å; Y191-K295 WeakPolarHBondContact OH-CE 3.27Å |
| 192 | N | 98.6 | Very high | 91.8 | Very high | 6 Ų | 6 | 44.9 Ų | 44.9 | 3% | 0.032 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 162.8 | 174.9 | -153.5 | -24.7 | 0 | 0 | 0 | 110.4 | T179 P182 I207 V208 | T179-N192 PolarHBondContact N-OD1 3.36Å; T179-N192 PolarHBondContact O-ND2 3.17Å; T179-N192 PolarHBondContact OG1-OD1 2.68Å; P182-N192 HydrophobicContact CB-CB 4.19Å; N192-I207 CarbonylContact O-C 3.58Å; N192-I207 WeakPolarHBondContact O-CA 3.48Å; N192-V208 PolarHBondContact N-O 2.88Å; N192-V208 PolarHBondContact O-N 3.02Å |
| 193 | I | 98.4 | Very high | 91.4 | Very high | 1 Ų | 1 | 44.4 Ų | 44.4 | 1% | 0.005 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 146.9 | 176.5 | -168.1 | 169.1 | 0 | 0 | 0 | 110.1 | I178 T179 N206 I207 F230 V241 F244 F253 | I178-I193 WeakPolarHBondContact CA-O 3.48Å; T179-I193 HydrophobicContact CG2-CG2 3.41Å; T179-I193 VanDerWaalsContact CG2-CG2 3.41Å; T179-I193 PolarHBondContact N-O 2.89Å; T179-I193 VanDerWaalsContact N-O 3.16Å; I193-N206 WeakPolarHBondContact CA-O 3.49Å; I193-I207 HydrophobicContact CB-CD1 3.76Å; I193-I207 HydrophobicContact CD1-CD1 3.97Å; I193-I207 HydrophobicContact CG1-CD1 3.89Å; I193-F230 HydrophobicContact CD1-CD2 4.21Å; I193-F230 HydrophobicContact CD1-CE2 4.47Å; I193-V241 HydrophobicContact CD1-CG1 4.31Å; I193-V241 HydrophobicContact CG2-CG1 3.62Å; I193-F244 HydrophobicContact CB-CD1 4Å; I193-F244 HydrophobicContact CB-CE1 4.44Å; I193-F244 HydrophobicContact CB-CG 4.28Å; I193-F244 HydrophobicContact CD1-CB 4.47Å; I193-F244 HydrophobicContact CG2-CB 4.14Å; I193-F244 HydrophobicContact CG2-CD1 3.59Å; I193-F244 HydrophobicContact CG2-CE1 4.31Å; I193-F244 HydrophobicContact CG2-CG 4.07Å; I193-F253 HydrophobicContact CD1-CB 4.11Å; I193-F253 HydrophobicContact CD1-CD1 4.49Å; I193-F253 HydrophobicContact CD1-CD2 3.72Å; I193-F253 HydrophobicContact CD1-CE2 4.35Å; I193-F253 HydrophobicContact CD1-CG 3.83Å |
| 194 | G | 95.8 | Very high | 91.2 | Very high | 4 Ų | 4 | 43.3 Ų | 43.3 | 4% | 0.041 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 148.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113 | G177 Y205 N206 | G177-G194 WeakPolarHBondContact O-CA 3.36Å; G194-Y205 CarbonylContact O-C 3.42Å; G194-Y205 VanDerWaalsContact O-CA 3.31Å; G194-Y205 WeakPolarHBondContact O-CA 3.49Å; G194-N206 PolarHBondContact N-O 3.16Å; G194-N206 PolarHBondContact O-N 2.82Å |
| 195 | N | 93.5 | Very high | 91.2 | Very high | 34 Ų | 34 | 41.2 Ų | 41.2 | 18% | 0.182 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.4 | 143.4 | 170.7 | -66 | -35.7 | 0 | 0 | 0 | 109.9 | I175 N176 Y205 | I175-N195 CarbonylContact C-O 3.49Å; I175-N195 VanDerWaalsContact CA-O 3.3Å; I175-N195 WeakPolarHBondContact CA-O 3.39Å; N176-N195 HydrophobicContact CB-CB 4.44Å; N176-N195 PolarHBondContact N-O 2.95Å; N176-N195 PolarHBondContact OD1-O 3.3Å; N195-Y205 WeakPolarHBondContact OD1-CD1 3.42Å; N195-Y205 WeakPolarHBondContact OD1-CE1 3.43Å |
| 196 | C | 91.9 | Very high | 91.2 | Very high | 1 Ų | 1 | 38.6 Ų | 38.6 | 1% | 0.007 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 166.1 | 175.9 | 69.9 | 0 | 0 | 0 | 0 | 112.4 | N174 N176 G198 A204 N206 | N174-C196 VanDerWaalsContact O-CB 3.29Å; N174-C196 WeakPolarHBondContact O-CB 3.33Å; N176-C196 WeakPolarHBondContact OD1-CA 3.31Å; C196-G198 PolarHBondContact O-N 3.48Å; C196-A204 PolarHBondContact N-O 2.94Å; C196-A204 PolarHBondContact O-N 3.41Å; C196-A204 PolarHBondContact SG-O 2.6Å; C196-N206 HydrophobicContact CB-CB 4.49Å; C196-N206 PolarHBondContact SG-ND2 3.42Å; C196-N206 PolarHBondContact SG-OD1 2.98Å |
| 197 | M | 85.1 | Confident | 91.5 | Very high | 97 Ų | 97 | 31 Ų | 31 | 48% | 0.478 | 19% | 0.188 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 115.6 | 163.1 | -168.5 | 61.1 | 59.4 | 0 | 0 | 109.8 | N174 L203 | N174-M197 PolarHBondContact ND2-O 2.88Å; M197-L203 HydrophobicContact CE-CD2 3.83Å; M197-L203 HydrophobicContact SD-CD2 4.33Å |
| 198 | G | 79.7 | Confident | 91.6 | Very high | 11 Ų | 11 | 26.7 Ų | 26.7 | 11% | 0.113 | 17% | 0.165 | C | C | . | . | trans | -85.4 | -177.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | C196 T202 | C196-G198 PolarHBondContact O-N 3.48Å; G198-T202 VanDerWaalsContact CA-O 3.29Å; G198-T202 WeakPolarHBondContact CA-O 3.32Å; G198-T202 PolarHBondContact N-O 3.36Å | ||
| 199 | K | 74.7 | Confident | 91.7 | Very high | 185 Ų | 185 | 28.1 Ų | 28.1 | 80% | 0.804 | 16% | 0.163 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | 146 | 178.6 | -65.4 | -178.1 | -176.9 | 174.7 | 0 | 111 | A201 T202 | K199-A201 VanDerWaalsContact C-N 3.34Å; K199-A201 PolarHBondContact O-N 3.35Å; K199-T202 PolarHBondContact O-OG1 3Å |
| 200 | G | 73.9 | Confident | 91.7 | Very high | 62 Ų | 62 | 28.4 Ų | 28.4 | 64% | 0.639 | 17% | 0.165 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 71.4 | 23 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | T202 R235 | G200-T202 VanDerWaalsContact C-N 3.35Å; G200-R235 PolarHBondContact O-NH2 3.4Å |
| 201 | A | 77.5 | Confident | 91.6 | Very high | 58 Ų | 58 | 28.8 Ų | 28.8 | 48% | 0.479 | 17% | 0.167 | S | C | . | . | S | Bend | trans | 55.4 | 50 | -175.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | K199 R235 | K199-A201 VanDerWaalsContact C-N 3.34Å; K199-A201 PolarHBondContact O-N 3.35Å; A201-R235 PolarHBondContact O-NE 3.35Å |
| 202 | T | 84.4 | Confident | 91.5 | Very high | 49 Ų | 49 | 29.2 Ų | 29.2 | 30% | 0.301 | 17% | 0.172 | S | C | . | . | trans | -114.3 | 150.1 | 171.5 | 60.7 | 0 | 0 | 0 | 0 | 108.2 | G198 K199 G200 R235 | G198-T202 VanDerWaalsContact CA-O 3.29Å; G198-T202 WeakPolarHBondContact CA-O 3.32Å; G198-T202 PolarHBondContact N-O 3.36Å; K199-T202 PolarHBondContact O-OG1 3Å; G200-T202 VanDerWaalsContact C-N 3.35Å; T202-R235 HydrophobicContact CG2-CG 4.1Å | ||
| 203 | L | 90.4 | Very high | 91.3 | Very high | 8 Ų | 8 | 31.7 Ų | 31.7 | 4% | 0.042 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 149 | 170.6 | -61.6 | 174.9 | 0 | 0 | 0 | 110.6 | M197 S232 R235 P238 L262 | M197-L203 HydrophobicContact CE-CD2 3.83Å; M197-L203 HydrophobicContact SD-CD2 4.33Å; L203-S232 WeakPolarHBondContact O-CB 3.31Å; L203-S232 PolarHBondContact O-N 2.85Å; L203-R235 WeakPolarHBondContact CG-O 3.07Å; L203-R235 PolarHBondContact N-O 3.31Å; L203-P238 HydrophobicContact CB-CB 4.47Å; L203-P238 HydrophobicContact CD1-CB 4.28Å; L203-P238 HydrophobicContact CD1-CG 3.76Å; L203-L262 HydrophobicContact CD1-CD1 3.4Å; L203-L262 HydrophobicContact CD1-CG 4.15Å; L203-L262 HydrophobicContact CD2-CD1 3.79Å; L203-L262 HydrophobicContact CG-CD1 4.2Å |
| 204 | A | 95.3 | Very high | 90.8 | Very high | 2 Ų | 2 | 35 Ų | 35 | 2% | 0.017 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 177.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | C196 Q229 F230 | C196-A204 PolarHBondContact N-O 2.94Å; C196-A204 PolarHBondContact O-N 3.41Å; C196-A204 PolarHBondContact SG-O 2.6Å; A204-Q229 HydrophobicContact CB-CG 3.62Å; A204-F230 WeakPolarHBondContact CA-O 3.36Å; A204-F230 VanDerWaalsContact CB-O 3.31Å; A204-F230 WeakPolarHBondContact CB-O 3.47Å |
| 205 | Y | 97.4 | Very high | 90.5 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 122.7 | 176.5 | -41.1 | -93 | 0 | 0 | 0 | 109.5 | G194 N195 Q229 F230 P238 S239 V241 F253 E255 | G194-Y205 CarbonylContact O-C 3.42Å; G194-Y205 VanDerWaalsContact O-CA 3.31Å; G194-Y205 WeakPolarHBondContact O-CA 3.49Å; N195-Y205 WeakPolarHBondContact OD1-CD1 3.42Å; N195-Y205 WeakPolarHBondContact OD1-CE1 3.43Å; Y205-Q229 CarbonylContact O-C 3.53Å; Y205-Q229 WeakPolarHBondContact O-CA 3.18Å; Y205-F230 HydrophobicContact CD2-CB 4.09Å; Y205-F230 PolarHBondContact N-O 2.8Å; Y205-F230 PolarHBondContact O-N 3.24Å; Y205-P238 HydrophobicContact CE1-CB 3.9Å; Y205-P238 WeakPolarHBondContact OH-CA 3.42Å; Y205-S239 PolarHBondContact OH-N 3.19Å; Y205-V241 HydrophobicContact CD1-CG2 3.79Å; Y205-V241 HydrophobicContact CE1-CG2 3.72Å; Y205-F253 HydrophobicContact CD1-CE1 4.32Å; Y205-F253 HydrophobicContact CD1-CZ 4.04Å; Y205-F253 HydrophobicContact CD2-CD1 4.16Å; Y205-F253 AromaticContact CD2-CE1 3.38Å; Y205-F253 HydrophobicContact CD2-CE1 3.38Å; Y205-F253 AromaticContact CD2-CZ 3.9Å; Y205-F253 HydrophobicContact CD2-CZ 3.9Å; Y205-F253 HydrophobicContact CE1-CE1 4.37Å; Y205-F253 AromaticContact CE1-CZ 3.92Å; Y205-F253 HydrophobicContact CE1-CZ 3.92Å; Y205-F253 AromaticContact CE2-CE1 3.42Å; Y205-F253 HydrophobicContact CE2-CE1 3.42Å; Y205-F253 VanDerWaalsContact CE2-CE1 3.42Å; Y205-F253 AromaticContact CE2-CZ 3.77Å; Y205-F253 HydrophobicContact CE2-CZ 3.77Å; Y205-F253 AromaticContact CG-CE1 3.85Å; Y205-F253 HydrophobicContact CG-CE1 3.85Å; Y205-F253 HydrophobicContact CG-CZ 4.03Å; Y205-F253 AromaticContact CZ-CE1 3.95Å; Y205-F253 AromaticContact CZ-CZ 3.79Å; Y205-E255 PolarHBondContact OH-OE1 2.91Å |
| 206 | N | 97.9 | Very high | 90.3 | Very high | 3 Ų | 3 | 48.4 Ų | 48.4 | 2% | 0.016 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 132.6 | 177.9 | -79.8 | -19.9 | 0 | 0 | 0 | 110.3 | N174 I175 I193 G194 C196 V226 Q229 | N174-N206 PolarHBondContact O-ND2 3.04Å; I175-N206 HydrophobicContact CG2-CB 4.33Å; I193-N206 WeakPolarHBondContact CA-O 3.49Å; G194-N206 PolarHBondContact N-O 3.16Å; G194-N206 PolarHBondContact O-N 2.82Å; C196-N206 HydrophobicContact CB-CB 4.49Å; C196-N206 PolarHBondContact SG-ND2 3.42Å; C196-N206 PolarHBondContact SG-OD1 2.98Å; N206-V226 HydrophobicContact CB-CG1 3.95Å; N206-V226 HydrophobicContact CB-CG2 4.19Å; N206-Q229 WeakPolarHBondContact OD1-CB 3.38Å; N206-Q229 WeakPolarHBondContact OD1-CG 3.46Å; N206-Q229 PolarHBondContact OD1-NE2 3.37Å |
| 207 | I | 98.4 | Very high | 90 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 120.8 | 160.2 | -62.8 | -67.2 | 0 | 0 | 0 | 108.1 | Y191 N192 I193 V226 V227 V228 F230 F244 F251 | Y191-I207 HydrophobicContact CD1-CG2 4.02Å; N192-I207 CarbonylContact O-C 3.58Å; N192-I207 WeakPolarHBondContact O-CA 3.48Å; I193-I207 HydrophobicContact CB-CD1 3.76Å; I193-I207 HydrophobicContact CD1-CD1 3.97Å; I193-I207 HydrophobicContact CG1-CD1 3.89Å; I207-V226 CarbonylContact O-C 3.59Å; I207-V226 WeakPolarHBondContact O-CA 3.37Å; I207-V227 HydrophobicContact CG2-CB 4.24Å; I207-V227 PolarHBondContact O-N 3.04Å; I207-V228 HydrophobicContact CB-CG1 3.85Å; I207-V228 HydrophobicContact CG1-CG1 3.72Å; I207-V228 PolarHBondContact N-O 3.1Å; I207-F230 HydrophobicContact CD1-CE2 3.97Å; I207-F230 HydrophobicContact CG1-CD2 4.24Å; I207-F230 HydrophobicContact CG1-CE2 3.63Å; I207-F244 HydrophobicContact CD1-CD2 3.85Å; I207-F244 HydrophobicContact CD1-CE2 3.86Å; I207-F244 HydrophobicContact CD1-CG 4.39Å; I207-F244 HydrophobicContact CD1-CZ 4.43Å; I207-F251 HydrophobicContact CG1-CD2 4.31Å; I207-F251 HydrophobicContact CG1-CG 4.38Å; I207-F251 HydrophobicContact CG2-CD2 4.29Å; I207-F251 HydrophobicContact CG2-CE1 4.19Å; I207-F251 HydrophobicContact CG2-CE2 3.87Å; I207-F251 HydrophobicContact CG2-CZ 3.83Å |
| 208 | V | 98 | Very high | 90.3 | Very high | 2 Ų | 2 | 53.6 Ų | 53.6 | 1% | 0.012 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 137.6 | 175.7 | 176.4 | 0 | 0 | 0 | 0 | 108.9 | V173 I175 Y191 N192 I210 K225 | V173-V208 HydrophobicContact CB-CG1 4.5Å; V173-V208 HydrophobicContact CB-CG2 4.27Å; V173-V208 HydrophobicContact CG1-CG1 4.07Å; V173-V208 HydrophobicContact CG2-CG1 4.09Å; V173-V208 HydrophobicContact CG2-CG2 4.04Å; I175-V208 HydrophobicContact CG2-CG2 3.78Å; Y191-V208 CarbonylContact C-O 3.59Å; Y191-V208 VanDerWaalsContact CA-O 3.28Å; Y191-V208 WeakPolarHBondContact CA-O 3.45Å; N192-V208 PolarHBondContact N-O 2.88Å; N192-V208 PolarHBondContact O-N 3.02Å; V208-I210 HydrophobicContact CG1-CG1 4.32Å; V208-K225 CarbonylContact C-O 3.36Å; V208-K225 WeakPolarHBondContact CA-O 3.13Å |
| 209 | R | 98.2 | Very high | 91 | Very high | 53 Ų | 53 | 55.1 Ų | 55.1 | 20% | 0.2 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 127 | 170.5 | 179.4 | -174.9 | -177.6 | -79.5 | -3.9 | 109.9 | T189 V190 Y191 S224 K225 V227 | T189-R209 HydrophobicContact CG2-CG 3.72Å; T189-R209 PolarHBondContact OG1-NH2 3.35Å; V190-R209 CarbonylContact O-C 3.58Å; V190-R209 WeakPolarHBondContact O-CA 3.34Å; Y191-R209 HydrophobicContact CD1-CB 3.92Å; Y191-R209 HydrophobicContact CD1-CG 4.2Å; Y191-R209 HydrophobicContact CE1-CB 3.67Å; Y191-R209 HydrophobicContact CE1-CG 3.67Å; Y191-R209 HydrophobicContact CE2-CG 4.4Å; Y191-R209 WeakPolarHBondContact OH-CD 3.44Å; Y191-R209 PolarHBondContact OH-NE 2.76Å; R209-S224 WeakPolarHBondContact O-CA 3.36Å; R209-K225 HydrophobicContact CB-CG 4.35Å; R209-K225 PolarHBondContact N-O 3.48Å; R209-K225 PolarHBondContact O-N 2.8Å; R209-V227 HydrophobicContact CB-CG2 3.38Å; R209-V227 HydrophobicContact CG-CG2 4.42Å |
| 210 | I | 98.4 | Very high | 92 | Very high | 6 Ų | 6 | 46.7 Ų | 46.7 | 3% | 0.031 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 120.6 | 170 | -43.7 | -177.3 | 0 | 0 | 0 | 106.9 | I140 M169 V190 V208 P220 | I140-I210 HydrophobicContact CD1-CD1 3.95Å; I140-I210 HydrophobicContact CG2-CG2 3.76Å; M169-I210 HydrophobicContact CE-CD1 4.08Å; V190-I210 HydrophobicContact CB-CB 4.16Å; V190-I210 PolarHBondContact N-O 2.98Å; V190-I210 PolarHBondContact O-N 3.06Å; V208-I210 HydrophobicContact CG1-CG1 4.32Å; I210-P220 HydrophobicContact CG2-CB 3.96Å; I210-P220 WeakPolarHBondContact CG2-O 3.5Å |
| 211 | P | 97.6 | Very high | 93.1 | Very high | 10 Ų | 10 | 43.7 Ų | 43.7 | 7% | 0.065 | 23% | 0.226 | C | C | . | . | P | Polyproline II helix | trans | -66.5 | 166.5 | 179.9 | 29.7 | -34.9 | 0 | 0 | 0 | 111.6 | P220 K223 | P211-P220 VanDerWaalsContact O-CB 3.29Å; P211-P220 WeakPolarHBondContact O-CB 3.44Å; P211-K223 WeakPolarHBondContact CD-O 3.44Å; P211-K223 HydrophobicContact CG-CB 3.57Å |
| 212 | P | 96.9 | Very high | 94 | Very high | 22 Ų | 22 | 47 Ų | 47 | 14% | 0.143 | 23% | 0.231 | C | C | . | . | P | Polyproline II helix | trans | -71.7 | 173.9 | 171.2 | 32.4 | -35.9 | 0 | 0 | 0 | 111.1 | D187 T189 Q214 | D187-P212 WeakPolarHBondContact O-CB 3.47Å; T189-P212 WeakPolarHBondContact OG1-CD 3.35Å; P212-Q214 PolarHBondContact O-N 2.86Å; P212-Q214 PolarHBondContact O-NE2 3.29Å |
| 213 | T | 93.4 | Very high | 94.6 | Very high | 57 Ų | 57 | 48.3 Ų | 48.3 | 35% | 0.35 | 23% | 0.232 | S | C | . | . | P | Polyproline II helix | trans | -53.1 | 125 | 174.4 | -56.3 | 0 | 0 | 0 | 0 | 110.8 | G141 | G141-T213 WeakPolarHBondContact CA-OG1 3.21Š|
| 214 | Q | 89.4 | Confident | 94.9 | Very high | 70 Ų | 70 | 48.6 Ų | 48.6 | 33% | 0.327 | 24% | 0.235 | S | C | . | . | P | Polyproline II helix | trans | -92.2 | 158.6 | -178 | -61.4 | -60.5 | -60 | 0 | 0 | 110.7 | P212 D216 K217 K223 | P212-Q214 PolarHBondContact O-N 2.86Å; P212-Q214 PolarHBondContact O-NE2 3.29Å; Q214-D216 WeakPolarHBondContact CB-OD1 3.36Å; Q214-D216 PolarHBondContact O-N 3.31Å; Q214-K217 PolarHBondContact O-N 3.35Å; Q214-K223 HydrophobicContact CG-CD 4.02Å |
| 215 | K | 88.8 | Confident | 95 | Very high | 216 Ų | 216 | 54 Ų | 54 | 94% | 0.939 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -27.7 | -179.3 | -69.7 | -175.7 | 179.9 | 178.5 | 0 | 113.7 | K217 | K215-K217 PolarHBondContact O-N 2.78Š|
| 216 | D | 88.5 | Confident | 95 | Very high | 105 Ų | 105 | 57 Ų | 57 | 56% | 0.561 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.3 | -2.5 | 177.2 | 61 | -4.8 | 0 | 0 | 0 | 113.2 | Q214 S218 K223 | Q214-D216 WeakPolarHBondContact CB-OD1 3.36Å; Q214-D216 PolarHBondContact O-N 3.31Å; D216-S218 PolarHBondContact O-N 3.28Å; D216-S218 VanDerWaalsContact O-N 3.11Å; D216-S218 PolarHBondContact OD1-N 3.34Å; D216-S218 PolarHBondContact OD1-OG 2.78Å; D216-K223 VanDerWaalsContact CG-NZ 3.28Å; D216-K223 IonicContact OD1-NZ 3.99Å; D216-K223 PolarHBondContact OD1-NZ 3.48Å; D216-K223 IonicContact OD2-NZ 2.71Å; D216-K223 PolarHBondContact OD2-NZ 2.92Å |
| 217 | K | 86.4 | Confident | 95 | Very high | 178 Ų | 178 | 58.1 Ų | 58.1 | 77% | 0.774 | 28% | 0.284 | S | S | * | . | trans | 56.5 | 19.9 | -179.9 | -58.5 | -172.6 | 173.8 | -168.5 | 0 | 114.4 | Q214 K215 | Q214-K217 PolarHBondContact O-N 3.35Å; K215-K217 PolarHBondContact O-N 2.78Å | ||
| 218 | S | 91.1 | Very high | 94.9 | Very high | 29 Ų | 29 | 58.6 Ų | 58.6 | 20% | 0.203 | 29% | 0.286 | C | S | . | . | trans | -62.5 | 148.8 | 170.1 | 64.4 | 0 | 0 | 0 | 0 | 110 | D216 P220 K223 | D216-S218 PolarHBondContact O-N 3.28Å; D216-S218 VanDerWaalsContact O-N 3.11Å; D216-S218 PolarHBondContact OD1-N 3.34Å; D216-S218 PolarHBondContact OD1-OG 2.78Å; S218-P220 WeakPolarHBondContact O-CD 3.41Å; S218-K223 WeakPolarHBondContact OG-CE 3.45Å; S218-K223 PolarHBondContact OG-NZ 3Å | ||
| 219 | D | 93.9 | Very high | 94.8 | Very high | 42 Ų | 42 | 61.7 Ų | 61.7 | 23% | 0.225 | 30% | 0.301 | C | S | . | . | trans | -57 | 120.2 | 172.3 | -173.7 | -22.7 | 0 | 0 | 0 | 109.6 | I221 E222 | D219-I221 PolarHBondContact O-N 3.44Å; D219-I221 WeakPolarHBondContact OD1-CB 3.25Å; D219-I221 PolarHBondContact OD1-N 2.85Å; D219-E222 HydrophobicContact CB-CG 4.13Å; D219-E222 WeakPolarHBondContact O-CB 3.42Å; D219-E222 PolarHBondContact O-N 3.21Å; D219-E222 VanDerWaalsContact O-N 3.13Å | ||
| 220 | P | 96.8 | Very high | 94.8 | Very high | 8 Ų | 8 | 59.2 Ų | 59.2 | 5% | 0.052 | 29% | 0.292 | C | S | . | . | G | 310 helix | trans | -58.8 | -28 | -178.9 | -23.9 | 33.7 | 0 | 0 | 0 | 113.8 | I140 I210 P211 S218 E222 K223 | I140-P220 HydrophobicContact CG2-CB 4.18Å; I210-P220 HydrophobicContact CG2-CB 3.96Å; I210-P220 WeakPolarHBondContact CG2-O 3.5Å; P211-P220 VanDerWaalsContact O-CB 3.29Å; P211-P220 WeakPolarHBondContact O-CB 3.44Å; S218-P220 WeakPolarHBondContact O-CD 3.41Å; P220-E222 PolarHBondContact O-N 2.65Å; P220-K223 PolarHBondContact O-N 2.77Å |
| 221 | I | 96.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 31% | 0.306 | C | S | . | . | G | 310 helix | trans | -61.9 | -34.3 | 179.1 | -62.9 | 178.4 | 0 | 0 | 0 | 111.1 | I140 Y145 I153 V167 M169 F172 D219 K223 S224 | I140-I221 HydrophobicContact CD1-CD1 4.01Å; I140-I221 HydrophobicContact CD1-CG1 4.16Å; I140-I221 HydrophobicContact CG2-CG1 3.97Å; Y145-I221 HydrophobicContact CE1-CD1 3.79Å; Y145-I221 HydrophobicContact CE2-CD1 4.13Å; Y145-I221 WeakPolarHBondContact OH-CD1 3.14Å; I153-I221 HydrophobicContact CD1-CD1 4.19Å; V167-I221 HydrophobicContact CG1-CD1 4.34Å; V167-I221 HydrophobicContact CG1-CG2 4.47Å; M169-I221 HydrophobicContact CE-CG2 4.22Å; M169-I221 HydrophobicContact SD-CG2 3.99Å; F172-I221 HydrophobicContact CB-CG2 4.43Å; F172-I221 HydrophobicContact CD1-CG2 4.19Å; F172-I221 HydrophobicContact CD2-CG2 3.51Å; F172-I221 HydrophobicContact CE1-CG2 4.33Å; F172-I221 HydrophobicContact CE2-CG2 3.69Å; F172-I221 HydrophobicContact CG-CG2 3.77Å; F172-I221 HydrophobicContact CZ-CG2 4.09Å; D219-I221 PolarHBondContact O-N 3.44Å; D219-I221 WeakPolarHBondContact OD1-CB 3.25Å; D219-I221 PolarHBondContact OD1-N 2.85Å; I221-K223 PolarHBondContact O-N 2.58Å; I221-K223 VanDerWaalsContact O-N 3.15Å; I221-S224 VanDerWaalsContact O-CB 3.22Å; I221-S224 WeakPolarHBondContact O-CB 3.26Å; I221-S224 PolarHBondContact O-N 2.8Å; I221-S224 VanDerWaalsContact O-N 3.07Å; I221-S224 PolarHBondContact O-OG 2.78Å |
| 222 | E | 95.9 | Very high | 94.5 | Very high | 127 Ų | 127 | 62 Ų | 62 | 59% | 0.593 | 31% | 0.31 | S | S | * | . | G | 310 helix | trans | -64 | -20.4 | 177.3 | -65.4 | -179.9 | 174.7 | 0 | 0 | 112.7 | F172 D219 P220 | F172-E222 HydrophobicContact CD1-CG 4.48Å; F172-E222 HydrophobicContact CE1-CG 3.98Å; D219-E222 HydrophobicContact CB-CG 4.13Å; D219-E222 WeakPolarHBondContact O-CB 3.42Å; D219-E222 PolarHBondContact O-N 3.21Å; D219-E222 VanDerWaalsContact O-N 3.13Å; P220-E222 PolarHBondContact O-N 2.65Å |
| 223 | K | 96.6 | Very high | 94.3 | Very high | 76 Ų | 76 | 63.3 Ų | 63.3 | 33% | 0.33 | 32% | 0.323 | S | S | . | . | G | 310 helix | trans | -101.4 | 16 | 179.3 | -64.3 | 176.3 | 174.7 | 169.7 | 0 | 112.4 | P211 Q214 D216 S218 P220 I221 | P211-K223 WeakPolarHBondContact CD-O 3.44Å; P211-K223 HydrophobicContact CG-CB 3.57Å; Q214-K223 HydrophobicContact CG-CD 4.02Å; D216-K223 VanDerWaalsContact CG-NZ 3.28Å; D216-K223 IonicContact OD1-NZ 3.99Å; D216-K223 PolarHBondContact OD1-NZ 3.48Å; D216-K223 IonicContact OD2-NZ 2.71Å; D216-K223 PolarHBondContact OD2-NZ 2.92Å; S218-K223 WeakPolarHBondContact OG-CE 3.45Å; S218-K223 PolarHBondContact OG-NZ 3Å; P220-K223 PolarHBondContact O-N 2.77Å; I221-K223 PolarHBondContact O-N 2.58Å; I221-K223 VanDerWaalsContact O-N 3.15Å |
| 224 | S | 97.3 | Very high | 94.2 | Very high | 15 Ų | 15 | 62.8 Ų | 62.8 | 11% | 0.105 | 32% | 0.317 | C | S | . | . | trans | -61 | 139 | 175.4 | -61.6 | 0 | 0 | 0 | 0 | 111.2 | V173 R209 I221 | V173-S224 VanDerWaalsContact CG1-CB 3.47Å; R209-S224 WeakPolarHBondContact O-CA 3.36Å; I221-S224 VanDerWaalsContact O-CB 3.22Å; I221-S224 WeakPolarHBondContact O-CB 3.26Å; I221-S224 PolarHBondContact O-N 2.8Å; I221-S224 VanDerWaalsContact O-N 3.07Å; I221-S224 PolarHBondContact O-OG 2.78Å | ||
| 225 | K | 97 | Very high | 94.1 | Very high | 115 Ų | 115 | 66 Ų | 66 | 50% | 0.5 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 151.2 | 176.8 | 65.4 | 178.3 | -176.8 | 173.3 | 0 | 112.1 | V208 R209 | V208-K225 CarbonylContact C-O 3.36Å; V208-K225 WeakPolarHBondContact CA-O 3.13Å; R209-K225 HydrophobicContact CB-CG 4.35Å; R209-K225 PolarHBondContact N-O 3.48Å; R209-K225 PolarHBondContact O-N 2.8Å |
| 226 | V | 97.3 | Very high | 94.1 | Very high | 62 Ų | 62 | 61.4 Ų | 61.4 | 38% | 0.376 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 131 | 167.4 | 178.4 | 0 | 0 | 0 | 0 | 108.7 | N206 I207 | N206-V226 HydrophobicContact CB-CG1 3.95Å; N206-V226 HydrophobicContact CB-CG2 4.19Å; I207-V226 CarbonylContact O-C 3.59Å; I207-V226 WeakPolarHBondContact O-CA 3.37Å |
| 227 | V | 97.4 | Very high | 94.3 | Very high | 28 Ų | 28 | 59.1 Ų | 59.1 | 17% | 0.17 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | -50.7 | 179.5 | 178.5 | 0 | 0 | 0 | 0 | 111 | Y191 I207 R209 F251 | Y191-V227 HydrophobicContact CE1-CG2 4.08Å; I207-V227 HydrophobicContact CG2-CB 4.24Å; I207-V227 PolarHBondContact O-N 3.04Å; R209-V227 HydrophobicContact CB-CG2 3.38Å; R209-V227 HydrophobicContact CG-CG2 4.42Å; V227-F251 HydrophobicContact CG1-CE2 4.12Å |
| 228 | V | 97.3 | Very high | 94.7 | Very high | 10 Ų | 10 | 50.8 Ų | 50.8 | 6% | 0.061 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 154.6 | -179.9 | 65.1 | 0 | 0 | 0 | 0 | 109.5 | I207 F230 F251 A293 | I207-V228 HydrophobicContact CB-CG1 3.85Å; I207-V228 HydrophobicContact CG1-CG1 3.72Å; I207-V228 PolarHBondContact N-O 3.1Å; V228-F230 HydrophobicContact CG1-CE2 4.47Å; V228-F251 HydrophobicContact CG1-CD2 4.02Å; V228-F251 HydrophobicContact CG1-CE2 4.44Å; V228-A293 HydrophobicContact CB-CB 4.33Å; V228-A293 HydrophobicContact CG1-CB 3.8Å; V228-A293 HydrophobicContact CG2-CB 3.8Å |
| 229 | Q | 97.1 | Very high | 94.9 | Very high | 67 Ų | 67 | 49.4 Ų | 49.4 | 31% | 0.313 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 125.7 | 177.4 | -179.2 | 167.7 | 102.1 | 0 | 0 | 109.7 | A204 Y205 N206 | A204-Q229 HydrophobicContact CB-CG 3.62Å; Y205-Q229 CarbonylContact O-C 3.53Å; Y205-Q229 WeakPolarHBondContact O-CA 3.18Å; N206-Q229 WeakPolarHBondContact OD1-CB 3.38Å; N206-Q229 WeakPolarHBondContact OD1-CG 3.46Å; N206-Q229 PolarHBondContact OD1-NE2 3.37Å |
| 230 | F | 97 | Very high | 95 | Very high | 1 Ų | 1 | 48.1 Ų | 48.1 | 0% | 0.004 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 139.3 | 170.4 | -65.3 | -68.7 | 0 | 0 | 0 | 110.7 | I193 A204 Y205 I207 V228 F251 F253 H291 A293 Y300 | I193-F230 HydrophobicContact CD1-CD2 4.21Å; I193-F230 HydrophobicContact CD1-CE2 4.47Å; A204-F230 WeakPolarHBondContact CA-O 3.36Å; A204-F230 VanDerWaalsContact CB-O 3.31Å; A204-F230 WeakPolarHBondContact CB-O 3.47Å; Y205-F230 HydrophobicContact CD2-CB 4.09Å; Y205-F230 PolarHBondContact N-O 2.8Å; Y205-F230 PolarHBondContact O-N 3.24Å; I207-F230 HydrophobicContact CD1-CE2 3.97Å; I207-F230 HydrophobicContact CG1-CD2 4.24Å; I207-F230 HydrophobicContact CG1-CE2 3.63Å; V228-F230 HydrophobicContact CG1-CE2 4.47Å; F230-F251 HydrophobicContact CE2-CB 4.49Å; F230-F251 HydrophobicContact CZ-CB 4.05Å; F230-F253 HydrophobicContact CB-CD1 4.01Å; F230-F253 HydrophobicContact CD2-CB 3.94Å; F230-F253 HydrophobicContact CD2-CD1 4.17Å; F230-F253 HydrophobicContact CD2-CG 4.32Å; F230-F253 HydrophobicContact CE2-CB 3.81Å; F230-F253 HydrophobicContact CG-CB 4.35Å; F230-F253 HydrophobicContact CG-CD1 4.05Å; F230-F253 HydrophobicContact CZ-CB 4.12Å; F230-H291 HydrophobicContact CD1-CB 3.48Å; F230-H291 VanDerWaalsContact CD1-CB 3.48Å; F230-H291 HydrophobicContact CE1-CB 3.72Å; F230-H291 HydrophobicContact CG-CB 4.24Å; F230-A293 HydrophobicContact CE1-CB 3.57Å; F230-A293 HydrophobicContact CZ-CB 3.6Å; F230-Y300 AromaticContact CD1-CD2 3.61Å; F230-Y300 HydrophobicContact CD1-CD2 3.61Å; F230-Y300 AromaticContact CD1-CE2 3.88Å; F230-Y300 HydrophobicContact CD1-CE2 3.88Å; F230-Y300 AromaticContact CE1-CD2 3.95Å; F230-Y300 HydrophobicContact CE1-CD2 3.95Å; F230-Y300 HydrophobicContact CE1-CE2 4.37Å |
| 231 | P | 95.1 | Very high | 95 | Very high | 53 Ų | 53 | 48.5 Ų | 48.5 | 34% | 0.344 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 152.7 | 174 | 31.7 | -34.5 | 0 | 0 | 0 | 111 | Y300 | P231-Y300 HydrophobicContact CG-CE1 4.03Å; P231-Y300 HydrophobicContact CG-CE2 4.38Å |
| 232 | S | 94.4 | Very high | 95.1 | Very high | 20 Ų | 20 | 49 Ų | 49 | 14% | 0.14 | 24% | 0.242 | C | C | . | . | P | Polyproline II helix | trans | -89.8 | 138.2 | 164.6 | 179.2 | 0 | 0 | 0 | 0 | 110.5 | L203 E234 | L203-S232 WeakPolarHBondContact O-CB 3.31Å; L203-S232 PolarHBondContact O-N 2.85Å; S232-E234 WeakPolarHBondContact CB-O 3.5Å; S232-E234 PolarHBondContact O-N 2.84Å; S232-E234 PolarHBondContact OG-N 2.98Å; S232-E234 PolarHBondContact OG-O 3.2Å |
| 233 | A | 92.9 | Very high | 95.2 | Very high | 51 Ų | 51 | 43.3 Ų | 43.3 | 42% | 0.421 | 22% | 0.216 | S | C | . | . | S | Bend | trans | -62.5 | -31.9 | 173 | 0 | 0 | 0 | 0 | 0 | 112.8 | E255 I289 | A233-E255 WeakPolarHBondContact CB-OE2 3.31Å; A233-E255 PolarHBondContact N-OE1 3.35Å; A233-E255 PolarHBondContact N-OE2 2.78Å; A233-E255 VanDerWaalsContact N-OE2 3.12Å; A233-I289 HydrophobicContact CB-CD1 3.48Å; A233-I289 VanDerWaalsContact CB-CD1 3.48Å |
| 234 | E | 92 | Very high | 95.3 | Very high | 45 Ų | 45 | 39.7 Ų | 39.7 | 21% | 0.21 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -116.1 | 131.3 | 176.6 | -73 | -168.9 | -118.2 | 0 | 0 | 111.4 | S232 F236 K237 K259 N283 | S232-E234 WeakPolarHBondContact CB-O 3.5Å; S232-E234 PolarHBondContact O-N 2.84Å; S232-E234 PolarHBondContact OG-N 2.98Å; S232-E234 PolarHBondContact OG-O 3.2Å; E234-F236 VanDerWaalsContact C-N 3.29Å; E234-F236 PolarHBondContact O-N 2.97Å; E234-K237 HydrophobicContact CB-CB 4Å; E234-K237 PolarHBondContact O-N 3.43Å; E234-K237 WeakPolarHBondContact OE2-CD 3.3Å; E234-K237 IonicContact OE2-NZ 3.97Å; E234-K259 WeakPolarHBondContact OE1-CE 3.35Å; E234-N283 PolarHBondContact OE1-ND2 3.13Å |
| 235 | R | 87.6 | Confident | 95.4 | Very high | 138 Ų | 138 | 39 Ų | 39 | 52% | 0.521 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -37.3 | -171.8 | -179 | 168.7 | -174.1 | 174.2 | 6.4 | 114.6 | G200 A201 T202 L203 | G200-R235 PolarHBondContact O-NH2 3.4Å; A201-R235 PolarHBondContact O-NE 3.35Å; T202-R235 HydrophobicContact CG2-CG 4.1Å; L203-R235 WeakPolarHBondContact CG-O 3.07Å; L203-R235 PolarHBondContact N-O 3.31Å |
| 236 | F | 88.1 | Confident | 95.5 | Very high | 119 Ų | 119 | 34.1 Ų | 34.1 | 52% | 0.522 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -124.1 | 10.5 | -172.6 | -59.3 | -63.9 | 0 | 0 | 0 | 113.6 | E234 | E234-F236 VanDerWaalsContact C-N 3.29Å; E234-F236 PolarHBondContact O-N 2.97Å |
| 237 | K | 92.4 | Very high | 95.5 | Very high | 57 Ų | 57 | 31.2 Ų | 31.2 | 25% | 0.248 | 16% | 0.157 | C | C | . | . | trans | -137.1 | 90.7 | -178.5 | -61.9 | -173.4 | -166.1 | 169.1 | 0 | 109.2 | E234 K259 I260 E281 | E234-K237 HydrophobicContact CB-CB 4Å; E234-K237 PolarHBondContact O-N 3.43Å; E234-K237 WeakPolarHBondContact OE2-CD 3.3Å; E234-K237 IonicContact OE2-NZ 3.97Å; K237-K259 HydrophobicContact CB-CB 4.2Å; K237-K259 HydrophobicContact CB-CD 4.47Å; K237-K259 HydrophobicContact CB-CG 4.45Å; K237-I260 WeakPolarHBondContact CA-O 3.33Å; K237-E281 VanDerWaalsContact CD-OE1 3.27Å; K237-E281 WeakPolarHBondContact CD-OE1 3.37Å; K237-E281 WeakPolarHBondContact CE-OE1 3.34Å; K237-E281 IonicContact NZ-OE1 3.06Å; K237-E281 PolarHBondContact NZ-OE1 3.44Å | ||
| 238 | P | 94.2 | Very high | 95.5 | Very high | 3 Ų | 3 | 36.3 Ų | 36.3 | 2% | 0.019 | 18% | 0.179 | C | C | . | . | P | Polyproline II helix | trans | -69.9 | 151.3 | 173.6 | 31.1 | -20.7 | 0 | 0 | 0 | 108 | L203 Y205 K259 I260 | L203-P238 HydrophobicContact CB-CB 4.47Å; L203-P238 HydrophobicContact CD1-CB 4.28Å; L203-P238 HydrophobicContact CD1-CG 3.76Å; Y205-P238 HydrophobicContact CE1-CB 3.9Å; Y205-P238 WeakPolarHBondContact OH-CA 3.42Å; P238-K259 CarbonylContact O-C 3.5Å; P238-K259 WeakPolarHBondContact O-CA 3.41Å; P238-I260 VanDerWaalsContact CD-O 3.26Å; P238-I260 WeakPolarHBondContact CD-O 3.47Å; P238-I260 HydrophobicContact CG-CB 4.27Å; P238-I260 PolarHBondContact O-N 3.25Å |
| 239 | S | 96.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 20% | 0.196 | C | C | . | . | B | Isolated β-bridge | trans | -70.9 | 155 | 167.9 | -67.4 | 0 | 0 | 0 | 0 | 111 | Y205 E255 T256 V258 K259 | Y205-S239 PolarHBondContact OH-N 3.19Å; S239-E255 WeakPolarHBondContact OG-CG 3.47Å; S239-T256 WeakPolarHBondContact CB-O 3.42Å; S239-T256 PolarHBondContact OG-O 2.73Å; S239-V258 CarbonylContact C-O 3.5Å; S239-V258 WeakPolarHBondContact CA-O 3.4Å; S239-V258 WeakPolarHBondContact CB-O 3.42Å; S239-K259 WeakPolarHBondContact OG-CD 3.38Å; S239-K259 WeakPolarHBondContact OG-CE 3.43Å; S239-K259 PolarHBondContact OG-NZ 2.95Å |
| 240 | Y | 96.4 | Very high | 95.6 | Very high | 16 Ų | 16 | 38 Ų | 38 | 6% | 0.063 | 19% | 0.188 | C | C | . | . | P | Polyproline II helix | trans | -63.5 | 134.3 | 163.7 | -177.1 | -123.5 | 0 | 0 | 0 | 110.1 | E149 H242 V258 F280 F313 F337 Y339 | E149-Y240 WeakPolarHBondContact OE2-CE2 3.45Å; E149-Y240 VanDerWaalsContact OE2-CZ 3.24Å; E149-Y240 PolarHBondContact OE2-OH 3.42Å; Y240-H242 HydrophobicContact CE1-CB 3.93Å; Y240-H242 AromaticContact CZ-ND1 3.91Å; Y240-H242 PolarHBondContact OH-ND1 3.16Å; Y240-V258 PolarHBondContact N-O 2.83Å; Y240-F280 AromaticContact CD2-CE1 3.73Å; Y240-F280 HydrophobicContact CD2-CE1 3.73Å; Y240-F280 HydrophobicContact CD2-CZ 4.01Å; Y240-F280 AromaticContact CG-CE1 3.91Å; Y240-F280 HydrophobicContact CG-CE1 3.91Å; Y240-F313 AromaticContact CE1-CD1 3.97Å; Y240-F313 HydrophobicContact CE1-CD1 3.97Å; Y240-F313 AromaticContact CE1-CE1 3.85Å; Y240-F313 HydrophobicContact CE1-CE1 3.85Å; Y240-F337 AromaticContact CD1-CE2 3.91Å; Y240-F337 HydrophobicContact CD1-CE2 3.91Å; Y240-F337 HydrophobicContact CD1-CZ 4.23Å; Y240-F337 HydrophobicContact CE1-CE2 4.13Å; Y240-F337 HydrophobicContact CE1-CZ 4.34Å; Y240-Y339 HydrophobicContact CE1-CE2 4.22Å; Y240-Y339 AromaticContact CZ-CE2 3.98Å; Y240-Y339 WeakPolarHBondContact OH-CE2 3.27Å; Y240-Y339 PolarHBondContact OH-OH 3.37Å |
| 241 | V | 96.4 | Very high | 95.7 | Very high | 15 Ų | 15 | 38 Ų | 38 | 9% | 0.091 | 19% | 0.187 | C | C | . | . | trans | -130.6 | 116.1 | 179.4 | -171.6 | 0 | 0 | 0 | 0 | 108.4 | T179 I193 Y205 F253 | T179-V241 HydrophobicContact CG2-CG1 4.09Å; I193-V241 HydrophobicContact CD1-CG1 4.31Å; I193-V241 HydrophobicContact CG2-CG1 3.62Å; Y205-V241 HydrophobicContact CD1-CG2 3.79Å; Y205-V241 HydrophobicContact CE1-CG2 3.72Å; V241-F253 HydrophobicContact CB-CE2 4.25Å; V241-F253 HydrophobicContact CG1-CD2 4.17Å; V241-F253 HydrophobicContact CG1-CE2 3.79Å; V241-F253 HydrophobicContact CG2-CE2 3.46Å; V241-F253 VanDerWaalsContact CG2-CE2 3.46Å; V241-F253 HydrophobicContact CG2-CZ 3.76Å | ||
| 242 | H | 98.2 | Very high | 95.8 | Very high | 11 Ų | 11 | 35.4 Ų | 35.4 | 5% | 0.051 | 17% | 0.171 | C | C | . | . | S | Bend | trans | -105.6 | -32.9 | -179.8 | -170.3 | 94.2 | 0 | 0 | 0 | 112.1 | E149 T179 H181 Y240 F313 H314 Y339 | E149-H242 IonicContact OE1-CE1 3.67Å; E149-H242 IonicContact OE1-CG 3.59Å; E149-H242 IonicContact OE1-ND1 2.8Å; E149-H242 PolarHBondContact OE1-ND1 3.25Å; E149-H242 VanDerWaalsContact OE1-ND1 3.15Å; T179-H242 VanDerWaalsContact CB-O 3.3Å; T179-H242 WeakPolarHBondContact CB-O 3.23Å; H181-H242 AromaticContact CD2-CD2 3.41Å; H181-H242 PolarHBondContact CD2-CD2 3.33Å; H181-H242 VanDerWaalsContact CD2-CD2 3.41Å; H181-H242 AromaticContact CD2-NE2 3.3Å; H181-H242 PolarHBondContact CD2-NE2 2.92Å; H181-H242 VanDerWaalsContact CD2-NE2 3.3Å; H181-H242 PolarHBondContact CD2-O 2.98Å; H181-H242 AromaticContact CE1-NE2 3.98Å; H181-H242 AromaticContact NE2-CD2 3.5Å; H181-H242 PolarHBondContact NE2-CD2 2.96Å; H181-H242 AromaticContact NE2-CE1 3.82Å; H181-H242 AromaticContact NE2-NE2 2.91Å; H181-H242 PolarHBondContact NE2-NE2 2.77Å; Y240-H242 HydrophobicContact CE1-CB 3.93Å; Y240-H242 AromaticContact CZ-ND1 3.91Å; Y240-H242 PolarHBondContact OH-ND1 3.16Å; H242-F313 HydrophobicContact CB-CB 4.42Å; H242-F313 HydrophobicContact CB-CD1 4.28Å; H242-F313 WeakPolarHBondContact CB-O 3.26Å; H242-F313 PolarHBondContact CD2-O 3.01Å; H242-H314 AromaticContact CD2-CD2 3.73Å; H242-H314 AromaticContact CD2-NE2 3.69Å; H242-H314 AromaticContact NE2-CD2 3.66Å; H242-H314 AromaticContact NE2-CE1 3.95Å; H242-H314 AromaticContact NE2-NE2 3.15Å; H242-H314 PolarHBondContact NE2-NE2 3.01Å; H242-H314 VanDerWaalsContact NE2-NE2 3.15Å; H242-Y339 PolarHBondContact ND1-OH 2.96Å |
| 243 | S | 98.7 | Very high | 96 | Very high | 7 Ų | 7 | 34.5 Ų | 34.5 | 5% | 0.049 | 16% | 0.164 | C | C | . | . | trans | -155.2 | 170.9 | 174 | 66.4 | 0 | 0 | 0 | 0 | 111.1 | F313 H314 H315 | S243-F313 WeakPolarHBondContact CB-O 3.23Å; S243-F313 PolarHBondContact OG-O 2.83Å; S243-H314 WeakPolarHBondContact OG-CA 3.12Å; S243-H315 PolarHBondContact O-CE1 2.86Å; S243-H315 PolarHBondContact OG-N 2.98Å; S243-H315 PolarHBondContact OG-ND1 2.84Å | ||
| 244 | F | 98.8 | Very high | 96.3 | Very high | 1 Ų | 1 | 32.2 Ų | 32.2 | 0% | 0.004 | 15% | 0.145 | C | C | . | . | trans | -136.5 | 166.9 | 174.3 | 69.3 | -69.4 | 0 | 0 | 0 | 109.4 | H183 I193 I207 M246 F251 H315 | H183-F244 HydrophobicContact CB-CZ 4.28Å; H183-F244 AromaticContact CD2-CE1 3.81Å; H183-F244 AromaticContact CD2-CE2 3.69Å; H183-F244 AromaticContact CD2-CZ 3.55Å; H183-F244 PolarHBondContact NE2-O 3.43Å; I193-F244 HydrophobicContact CB-CD1 4Å; I193-F244 HydrophobicContact CB-CE1 4.44Å; I193-F244 HydrophobicContact CB-CG 4.28Å; I193-F244 HydrophobicContact CD1-CB 4.47Å; I193-F244 HydrophobicContact CG2-CB 4.14Å; I193-F244 HydrophobicContact CG2-CD1 3.59Å; I193-F244 HydrophobicContact CG2-CE1 4.31Å; I193-F244 HydrophobicContact CG2-CG 4.07Å; I207-F244 HydrophobicContact CD1-CD2 3.85Å; I207-F244 HydrophobicContact CD1-CE2 3.86Å; I207-F244 HydrophobicContact CD1-CG 4.39Å; I207-F244 HydrophobicContact CD1-CZ 4.43Å; F244-M246 HydrophobicContact CE2-CB 4.43Å; F244-F251 HydrophobicContact CD2-CD1 4.16Å; F244-F251 AromaticContact CE2-CD1 3.71Å; F244-F251 HydrophobicContact CE2-CD1 3.71Å; F244-F251 HydrophobicContact CE2-CE1 4.04Å; F244-H315 VanDerWaalsContact C-CE1 3.46Å; F244-H315 WeakPolarHBondContact CA-CE1 3.48Å | ||
| 245 | G | 98.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 144.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | F251 V252 H315 T318 | G245-F251 WeakPolarHBondContact O-CA 3.33Å; G245-V252 PolarHBondContact N-O 2.83Å; G245-V252 PolarHBondContact O-N 2.97Å; G245-H315 PolarHBondContact N-CD2 3.38Å; G245-H315 PolarHBondContact N-NE2 2.76Å; G245-T318 WeakPolarHBondContact CA-OG1 3.4Å |
| 246 | M | 98.6 | Very high | 97.1 | Very high | 12 Ų | 12 | 23.7 Ų | 23.7 | 6% | 0.059 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 129.2 | 175.4 | -172.9 | -179.6 | 81.3 | 0 | 0 | 110.2 | H183 E185 Y191 F244 F251 G429 | H183-M246 HydrophobicContact CB-CB 4.25Å; H183-M246 HydrophobicContact CB-CE 3.55Å; H183-M246 HydrophobicContact CB-SD 3.74Å; H183-M246 VanDerWaalsContact CD2-CB 3.43Å; H183-M246 WeakPolarHBondContact CD2-CB 3.41Å; H183-M246 PolarHBondContact NE2-N 2.68Å; E185-M246 HydrophobicContact CG-CE 4.11Å; Y191-M246 HydrophobicContact CD2-SD 3.78Å; Y191-M246 HydrophobicContact CE2-SD 4.43Å; Y191-M246 HydrophobicContact CG-SD 4.07Å; F244-M246 HydrophobicContact CE2-CB 4.43Å; M246-F251 HydrophobicContact CB-CD1 4.21Å; M246-F251 HydrophobicContact CB-CE1 4.43Å; M246-F251 HydrophobicContact CG-CD1 3.86Å; M246-F251 HydrophobicContact CG-CE1 3.7Å; M246-F251 HydrophobicContact SD-CD1 4.4Å; M246-F251 HydrophobicContact SD-CE1 3.7Å; M246-G429 WeakPolarHBondContact O-CA 3.37Å |
| 247 | S | 98.2 | Very high | 97.5 | Very high | 2 Ų | 2 | 18 Ų | 18 | 1% | 0.014 | 9% | 0.087 | C | C | . | . | trans | -109.5 | -172.3 | 168.4 | 57.4 | 0 | 0 | 0 | 0 | 109.9 | N249 Y250 E320 | S247-N249 VanDerWaalsContact C-N 3.31Å; S247-N249 PolarHBondContact O-N 2.79Å; S247-Y250 PolarHBondContact N-O 3.25Å; S247-Y250 WeakPolarHBondContact OG-CA 3.04Å; S247-Y250 WeakPolarHBondContact OG-CB 3.48Å; S247-Y250 PolarHBondContact OG-N 2.9Å; S247-Y250 PolarHBondContact OG-O 3.25Å; S247-E320 PolarHBondContact OG-OE1 3.44Å | ||
| 248 | E | 96.3 | Very high | 97.7 | Very high | 134 Ų | 134 | 15.5 Ų | 15.5 | 63% | 0.626 | 8% | 0.076 | S | C | * | . | S | Bend | trans | -58.8 | -43.8 | 177 | -173.2 | 167.9 | 178.1 | 0 | 0 | 111.8 | K295 E320 | E248-K295 WeakPolarHBondContact O-CD 3.5Å; E248-K295 PolarHBondContact O-NZ 2.72Å; E248-E320 PolarHBondContact N-OE1 3.25Å |
| 249 | N | 98.1 | Very high | 97.8 | Very high | 78 Ų | 78 | 15.4 Ų | 15.4 | 42% | 0.417 | 8% | 0.076 | S | C | . | . | S | Bend | trans | -115.5 | -12 | -172.5 | -56.4 | -66 | 0 | 0 | 0 | 114.6 | S247 K294 K295 E320 | S247-N249 VanDerWaalsContact C-N 3.31Å; S247-N249 PolarHBondContact O-N 2.79Å; N249-K294 CarbonylContact O-C 3.47Å; N249-K294 WeakPolarHBondContact O-CA 3.14Å; N249-K295 WeakPolarHBondContact O-CB 3.19Å; N249-K295 PolarHBondContact O-N 3.15Å; N249-E320 VanDerWaalsContact CB-OE1 3.29Å; N249-E320 WeakPolarHBondContact CB-OE1 3.35Å; N249-E320 PolarHBondContact N-OE1 3.08Å; N249-E320 PolarHBondContact ND2-OE1 2.98Å; N249-E320 VanDerWaalsContact ND2-OE1 3.12Å; N249-E320 PolarHBondContact ND2-OE2 3.27Å |
| 250 | Y | 98.6 | Very high | 97.7 | Very high | 35 Ų | 35 | 16.6 Ų | 16.6 | 14% | 0.137 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 147.4 | -173.4 | -58.4 | -90.3 | 0 | 0 | 0 | 114.5 | S247 V292 A293 K294 I301 E320 I325 L373 | S247-Y250 PolarHBondContact N-O 3.25Å; S247-Y250 WeakPolarHBondContact OG-CA 3.04Å; S247-Y250 WeakPolarHBondContact OG-CB 3.48Å; S247-Y250 PolarHBondContact OG-N 2.9Å; S247-Y250 PolarHBondContact OG-O 3.25Å; Y250-V292 HydrophobicContact CD1-CG1 3.86Å; Y250-V292 HydrophobicContact CG-CG1 4.43Å; Y250-A293 CarbonylContact C-O 3.59Å; Y250-A293 VanDerWaalsContact CA-O 3.25Å; Y250-A293 WeakPolarHBondContact CA-O 3.47Å; Y250-K294 HydrophobicContact CD1-CG 4.1Å; Y250-K294 HydrophobicContact CE1-CG 3.65Å; Y250-I301 HydrophobicContact CD1-CD1 4.09Å; Y250-I301 HydrophobicContact CE1-CD1 3.81Å; Y250-E320 HydrophobicContact CD2-CG 3.95Å; Y250-E320 HydrophobicContact CE2-CG 4.3Å; Y250-E320 WeakPolarHBondContact CE2-OE2 3.31Å; Y250-I325 HydrophobicContact CD1-CD1 3.99Å; Y250-I325 HydrophobicContact CD2-CD1 4.03Å; Y250-I325 HydrophobicContact CD2-CG1 4.15Å; Y250-I325 HydrophobicContact CG-CD1 3.62Å; Y250-I325 HydrophobicContact CG-CG1 4.25Å; Y250-L373 HydrophobicContact CD1-CD2 4.23Å; Y250-L373 HydrophobicContact CE1-CD2 3.72Å; Y250-L373 HydrophobicContact CE2-CD1 3.71Å; Y250-L373 HydrophobicContact CE2-CD2 4.22Å |
| 251 | F | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 140.2 | 161.6 | -59.7 | -61.8 | 0 | 0 | 0 | 110.2 | Y191 I207 V227 V228 F230 F244 G245 M246 V292 A293 K295 | Y191-F251 AromaticContact CD1-CE1 3.85Å; Y191-F251 HydrophobicContact CD1-CE1 3.85Å; Y191-F251 HydrophobicContact CD1-CE2 4.5Å; Y191-F251 AromaticContact CD1-CZ 3.42Å; Y191-F251 HydrophobicContact CD1-CZ 3.42Å; Y191-F251 VanDerWaalsContact CD1-CZ 3.42Å; Y191-F251 HydrophobicContact CE1-CE1 4.31Å; Y191-F251 HydrophobicContact CE1-CE2 4.45Å; Y191-F251 AromaticContact CE1-CZ 3.53Å; Y191-F251 HydrophobicContact CE1-CZ 3.53Å; Y191-F251 HydrophobicContact CG-CE1 4.08Å; Y191-F251 HydrophobicContact CG-CZ 4.11Å; I207-F251 HydrophobicContact CG1-CD2 4.31Å; I207-F251 HydrophobicContact CG1-CG 4.38Å; I207-F251 HydrophobicContact CG2-CD2 4.29Å; I207-F251 HydrophobicContact CG2-CE1 4.19Å; I207-F251 HydrophobicContact CG2-CE2 3.87Å; I207-F251 HydrophobicContact CG2-CZ 3.83Å; V227-F251 HydrophobicContact CG1-CE2 4.12Å; V228-F251 HydrophobicContact CG1-CD2 4.02Å; V228-F251 HydrophobicContact CG1-CE2 4.44Å; F230-F251 HydrophobicContact CE2-CB 4.49Å; F230-F251 HydrophobicContact CZ-CB 4.05Å; F244-F251 HydrophobicContact CD2-CD1 4.16Å; F244-F251 AromaticContact CE2-CD1 3.71Å; F244-F251 HydrophobicContact CE2-CD1 3.71Å; F244-F251 HydrophobicContact CE2-CE1 4.04Å; G245-F251 WeakPolarHBondContact O-CA 3.33Å; M246-F251 HydrophobicContact CB-CD1 4.21Å; M246-F251 HydrophobicContact CB-CE1 4.43Å; M246-F251 HydrophobicContact CG-CD1 3.86Å; M246-F251 HydrophobicContact CG-CE1 3.7Å; M246-F251 HydrophobicContact SD-CD1 4.4Å; M246-F251 HydrophobicContact SD-CE1 3.7Å; F251-V292 WeakPolarHBondContact O-CA 3.33Å; F251-A293 PolarHBondContact N-O 3.3Å; F251-A293 PolarHBondContact O-N 3.5Å; F251-K295 HydrophobicContact CD2-CB 4.33Å; F251-K295 HydrophobicContact CE1-CD 4.48Å; F251-K295 HydrophobicContact CE1-CG 4.43Å; F251-K295 HydrophobicContact CE2-CB 3.83Å; F251-K295 HydrophobicContact CE2-CG 3.81Å; F251-K295 HydrophobicContact CZ-CB 4.07Å; F251-K295 HydrophobicContact CZ-CD 4.09Å; F251-K295 HydrophobicContact CZ-CG 3.63Å |
| 252 | V | 98.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 123.7 | 171.9 | 179.7 | 0 | 0 | 0 | 0 | 108.5 | G245 H291 T318 I325 F327 | G245-V252 PolarHBondContact N-O 2.83Å; G245-V252 PolarHBondContact O-N 2.97Å; V252-H291 WeakPolarHBondContact CA-O 3.48Å; V252-T318 HydrophobicContact CG2-CG2 3.89Å; V252-I325 HydrophobicContact CG2-CD1 4.39Å; V252-I325 HydrophobicContact CG2-CG2 3.71Å; V252-F327 HydrophobicContact CG1-CD1 4.22Å; V252-F327 HydrophobicContact CG1-CD2 4.35Å; V252-F327 HydrophobicContact CG1-CE1 4.18Å; V252-F327 HydrophobicContact CG1-CE2 4.3Å; V252-F327 HydrophobicContact CG1-CG 4.3Å; V252-F327 HydrophobicContact CG1-CZ 4.21Å |
| 253 | F | 98.5 | Very high | 95.9 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 128.5 | 174.3 | 164.3 | -123.3 | 0 | 0 | 0 | 109.9 | I193 Y205 F230 V241 E255 H291 | I193-F253 HydrophobicContact CD1-CB 4.11Å; I193-F253 HydrophobicContact CD1-CD1 4.49Å; I193-F253 HydrophobicContact CD1-CD2 3.72Å; I193-F253 HydrophobicContact CD1-CE2 4.35Å; I193-F253 HydrophobicContact CD1-CG 3.83Å; Y205-F253 HydrophobicContact CD1-CE1 4.32Å; Y205-F253 HydrophobicContact CD1-CZ 4.04Å; Y205-F253 HydrophobicContact CD2-CD1 4.16Å; Y205-F253 AromaticContact CD2-CE1 3.38Å; Y205-F253 HydrophobicContact CD2-CE1 3.38Å; Y205-F253 AromaticContact CD2-CZ 3.9Å; Y205-F253 HydrophobicContact CD2-CZ 3.9Å; Y205-F253 HydrophobicContact CE1-CE1 4.37Å; Y205-F253 AromaticContact CE1-CZ 3.92Å; Y205-F253 HydrophobicContact CE1-CZ 3.92Å; Y205-F253 AromaticContact CE2-CE1 3.42Å; Y205-F253 HydrophobicContact CE2-CE1 3.42Å; Y205-F253 VanDerWaalsContact CE2-CE1 3.42Å; Y205-F253 AromaticContact CE2-CZ 3.77Å; Y205-F253 HydrophobicContact CE2-CZ 3.77Å; Y205-F253 AromaticContact CG-CE1 3.85Å; Y205-F253 HydrophobicContact CG-CE1 3.85Å; Y205-F253 HydrophobicContact CG-CZ 4.03Å; Y205-F253 AromaticContact CZ-CE1 3.95Å; Y205-F253 AromaticContact CZ-CZ 3.79Å; F230-F253 HydrophobicContact CB-CD1 4.01Å; F230-F253 HydrophobicContact CD2-CB 3.94Å; F230-F253 HydrophobicContact CD2-CD1 4.17Å; F230-F253 HydrophobicContact CD2-CG 4.32Å; F230-F253 HydrophobicContact CE2-CB 3.81Å; F230-F253 HydrophobicContact CG-CB 4.35Å; F230-F253 HydrophobicContact CG-CD1 4.05Å; F230-F253 HydrophobicContact CZ-CB 4.12Å; V241-F253 HydrophobicContact CB-CE2 4.25Å; V241-F253 HydrophobicContact CG1-CD2 4.17Å; V241-F253 HydrophobicContact CG1-CE2 3.79Å; V241-F253 HydrophobicContact CG2-CE2 3.46Å; V241-F253 VanDerWaalsContact CG2-CE2 3.46Å; V241-F253 HydrophobicContact CG2-CZ 3.76Å; F253-E255 HydrophobicContact CE1-CB 3.74Å; F253-E255 HydrophobicContact CE1-CG 4.26Å; F253-E255 HydrophobicContact CZ-CB 3.75Å; F253-E255 HydrophobicContact CZ-CG 4.12Å; F253-H291 HydrophobicContact CB-CB 4.22Å; F253-H291 HydrophobicContact CD1-CB 4.1Å; F253-H291 AromaticContact CD1-CD2 3.39Å; F253-H291 WeakPolarHBondContact CD1-CD2 3.04Å; F253-H291 AromaticContact CD1-CG 3.98Å; F253-H291 AromaticContact CE1-CD2 3.66Å; F253-H291 PolarHBondContact N-O 3.18Å; F253-H291 PolarHBondContact O-N 2.64Å |
| 254 | V | 98.5 | Very high | 95.1 | Very high | 3 Ų | 3 | 27.6 Ų | 27.6 | 2% | 0.018 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 104.3 | -179.5 | -174.9 | 0 | 0 | 0 | 0 | 109 | T256 T288 F290 M312 F327 L329 | V254-T256 PolarHBondContact O-N 2.8Å; V254-T288 HydrophobicContact CG1-CG2 3.43Å; V254-T288 VanDerWaalsContact CG1-CG2 3.43Å; V254-F290 HydrophobicContact CB-CD1 4.45Å; V254-F290 HydrophobicContact CG1-CD1 4.02Å; V254-F290 HydrophobicContact CG1-CE1 3.88Å; V254-F290 HydrophobicContact CG2-CD1 3.96Å; V254-F290 HydrophobicContact CG2-CE1 4.3Å; V254-M312 HydrophobicContact CB-CE 3.47Å; V254-M312 VanDerWaalsContact CB-CE 3.47Å; V254-M312 HydrophobicContact CG1-CE 4.03Å; V254-M312 HydrophobicContact CG2-CE 3.74Å; V254-F327 HydrophobicContact CG2-CE2 4.21Å; V254-L329 HydrophobicContact CG2-CD1 4.18Å |
| 255 | E | 98.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 102.6 | 177 | -170.3 | 178.4 | -160.2 | 0 | 0 | 109.8 | Y205 A233 S239 F253 K259 I289 H291 | Y205-E255 PolarHBondContact OH-OE1 2.91Å; A233-E255 WeakPolarHBondContact CB-OE2 3.31Å; A233-E255 PolarHBondContact N-OE1 3.35Å; A233-E255 PolarHBondContact N-OE2 2.78Å; A233-E255 VanDerWaalsContact N-OE2 3.12Å; S239-E255 WeakPolarHBondContact OG-CG 3.47Å; F253-E255 HydrophobicContact CE1-CB 3.74Å; F253-E255 HydrophobicContact CE1-CG 4.26Å; F253-E255 HydrophobicContact CZ-CB 3.75Å; F253-E255 HydrophobicContact CZ-CG 4.12Å; E255-K259 IonicContact OE1-NZ 3.79Å; E255-K259 PolarHBondContact OE1-NZ 2.8Å; E255-I289 HydrophobicContact CB-CB 4.21Å; E255-I289 PolarHBondContact N-O 3.3Å; E255-I289 PolarHBondContact O-N 3.05Å; E255-H291 IonicContact OE2-CE1 3.24Å; E255-H291 IonicContact OE2-NE2 3.87Å; E255-H291 PolarHBondContact OE2-NE2 2.91Å |
| 256 | T | 97.9 | Very high | 93 | Very high | 5 Ų | 5 | 35.1 Ų | 35.1 | 3% | 0.031 | 17% | 0.174 | C | C | . | . | trans | -78 | 163.4 | -178.6 | 71 | 0 | 0 | 0 | 0 | 111.9 | S239 V254 V258 Q286 M312 | S239-T256 WeakPolarHBondContact CB-O 3.42Å; S239-T256 PolarHBondContact OG-O 2.73Å; V254-T256 PolarHBondContact O-N 2.8Å; T256-V258 PolarHBondContact O-N 2.96Å; T256-Q286 PolarHBondContact O-NE2 3.37Å; T256-M312 HydrophobicContact CG2-CB 4.37Å | ||
| 257 | P | 97.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -73.9 | -3.2 | 175.2 | 30.6 | -36.9 | 0 | 0 | 0 | 114 | K259 S282 N283 P309 I310 F335 | P257-K259 PolarHBondContact O-N 2.84Å; P257-S282 WeakPolarHBondContact O-CA 3.35Å; P257-N283 VanDerWaalsContact CB-O 3.27Å; P257-N283 WeakPolarHBondContact CB-O 3.43Å; P257-N283 PolarHBondContact O-N 3.03Å; P257-P309 HydrophobicContact CG-CB 4.14Å; P257-I310 VanDerWaalsContact CD-O 3.31Å; P257-I310 WeakPolarHBondContact CD-O 3.39Å; P257-F335 HydrophobicContact CB-CB 3.93Å; P257-F335 HydrophobicContact CG-CB 3.59Å |
| 258 | V | 97.1 | Very high | 90.1 | Very high | 4 Ų | 4 | 37.8 Ų | 37.8 | 2% | 0.024 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 114.7 | 176.2 | 178.2 | 0 | 0 | 0 | 0 | 108.8 | S239 Y240 T256 F280 F337 | S239-V258 CarbonylContact C-O 3.5Å; S239-V258 WeakPolarHBondContact CA-O 3.4Å; S239-V258 WeakPolarHBondContact CB-O 3.42Å; Y240-V258 PolarHBondContact N-O 2.83Å; T256-V258 PolarHBondContact O-N 2.96Å; V258-F280 HydrophobicContact CG1-CD1 3.8Å; V258-F337 HydrophobicContact CB-CD2 4.45Å; V258-F337 HydrophobicContact CG1-CB 4.12Å; V258-F337 HydrophobicContact CG1-CD1 4.21Å; V258-F337 HydrophobicContact CG1-CD2 3.67Å; V258-F337 HydrophobicContact CG1-CE2 4.03Å; V258-F337 HydrophobicContact CG1-CG 3.76Å; V258-F337 HydrophobicContact CG1-CZ 4.43Å; V258-F337 HydrophobicContact CG2-CB 4.17Å; V258-F337 HydrophobicContact CG2-CD2 4.05Å; V258-F337 HydrophobicContact CG2-CG 4.39Å |
| 259 | K | 95.8 | Very high | 88.5 | Confident | 1 Ų | 1 | 34.7 Ų | 34.7 | 0% | 0.004 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 147.8 | -171.8 | -65.4 | -54 | -169.1 | 175.1 | 0 | 112.4 | E234 K237 P238 S239 E255 P257 F280 E281 N283 | E234-K259 WeakPolarHBondContact OE1-CE 3.35Å; K237-K259 HydrophobicContact CB-CB 4.2Å; K237-K259 HydrophobicContact CB-CD 4.47Å; K237-K259 HydrophobicContact CB-CG 4.45Å; P238-K259 CarbonylContact O-C 3.5Å; P238-K259 WeakPolarHBondContact O-CA 3.41Å; S239-K259 WeakPolarHBondContact OG-CD 3.38Å; S239-K259 WeakPolarHBondContact OG-CE 3.43Å; S239-K259 PolarHBondContact OG-NZ 2.95Å; E255-K259 IonicContact OE1-NZ 3.79Å; E255-K259 PolarHBondContact OE1-NZ 2.8Å; P257-K259 PolarHBondContact O-N 2.84Å; K259-F280 CarbonylContact O-C 3.55Å; K259-F280 VanDerWaalsContact O-CA 3.27Å; K259-F280 WeakPolarHBondContact O-CA 3.36Å; K259-E281 HydrophobicContact CB-CG 4.17Å; K259-E281 PolarHBondContact N-O 2.76Å; K259-E281 PolarHBondContact O-N 2.91Å; K259-N283 HydrophobicContact CG-CB 4.28Å |
| 260 | I | 92.8 | Very high | 86.6 | Confident | 25 Ų | 25 | 35.1 Ų | 35.1 | 13% | 0.128 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 114.4 | 171 | -57.7 | 166.5 | 0 | 0 | 0 | 108.4 | K237 P238 L262 F280 | K237-I260 WeakPolarHBondContact CA-O 3.33Å; P238-I260 VanDerWaalsContact CD-O 3.26Å; P238-I260 WeakPolarHBondContact CD-O 3.47Å; P238-I260 HydrophobicContact CG-CB 4.27Å; P238-I260 PolarHBondContact O-N 3.25Å; I260-L262 HydrophobicContact CG2-CD2 4.01Å; I260-L262 PolarHBondContact O-N 2.99Å; I260-F280 HydrophobicContact CD1-CE1 4.07Å; I260-F280 HydrophobicContact CD1-CZ 4.38Å; I260-F280 HydrophobicContact CG1-CD1 3.91Å; I260-F280 HydrophobicContact CG1-CE1 3.47Å; I260-F280 VanDerWaalsContact CG1-CE1 3.47Å; I260-F280 HydrophobicContact CG1-CZ 4.04Å |
| 261 | N | 90.4 | Very high | 84.6 | Confident | 18 Ų | 18 | 39.8 Ų | 39.8 | 10% | 0.096 | 21% | 0.212 | C | C | . | . | trans | -82.9 | 93 | 177.5 | -170.7 | -31.4 | 0 | 0 | 0 | 110.5 | L263 K264 F265 C279 E281 | N261-L263 PolarHBondContact O-N 2.98Å; N261-L263 PolarHBondContact OD1-N 3.06Å; N261-K264 HydrophobicContact CB-CB 4.16Å; N261-K264 HydrophobicContact CB-CD 4Å; N261-K264 HydrophobicContact CB-CG 4.13Å; N261-K264 WeakPolarHBondContact O-CB 3.49Å; N261-K264 PolarHBondContact O-N 3.08Å; N261-K264 VanDerWaalsContact O-N 3.08Å; N261-K264 PolarHBondContact OD1-N 3Å; N261-K264 VanDerWaalsContact OD1-N 3.14Å; N261-F265 PolarHBondContact O-N 3.49Å; N261-C279 WeakPolarHBondContact CB-O 3.31Å; N261-C279 PolarHBondContact N-O 3.11Å; N261-E281 HydrophobicContact CB-CG 4.38Å; N261-E281 PolarHBondContact ND2-OE1 3.01Å; N261-E281 PolarHBondContact ND2-OE2 3.04Å | ||
| 262 | L | 81.7 | Confident | 82.8 | Confident | 54 Ų | 54 | 49.3 Ų | 49.3 | 28% | 0.283 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -62.7 | -26.2 | -178.4 | -66.8 | -171 | 0 | 0 | 0 | 113.8 | L203 I260 F265 L266 | L203-L262 HydrophobicContact CD1-CD1 3.4Å; L203-L262 HydrophobicContact CD1-CG 4.15Å; L203-L262 HydrophobicContact CD2-CD1 3.79Å; L203-L262 HydrophobicContact CG-CD1 4.2Å; I260-L262 HydrophobicContact CG2-CD2 4.01Å; I260-L262 PolarHBondContact O-N 2.99Å; L262-F265 WeakPolarHBondContact O-CB 3.42Å; L262-F265 PolarHBondContact O-N 2.81Å; L262-L266 WeakPolarHBondContact O-CG 3.4Å; L262-L266 PolarHBondContact O-N 2.95Å |
| 263 | L | 81.5 | Confident | 81.5 | Confident | 124 Ų | 124 | 51.8 Ų | 51.8 | 65% | 0.649 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -68.7 | -39.2 | 175.1 | -66.4 | 174.5 | 0 | 0 | 0 | 111 | N261 S267 | N261-L263 PolarHBondContact O-N 2.98Å; N261-L263 PolarHBondContact OD1-N 3.06Å; L263-S267 WeakPolarHBondContact O-CB 3.47Å; L263-S267 PolarHBondContact O-N 3.06Å; L263-S267 PolarHBondContact O-OG 3.37Å |
| 264 | K | 83.4 | Confident | 80.7 | Confident | 84 Ų | 84 | 52.6 Ų | 52.6 | 37% | 0.365 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -62.1 | -46.5 | 169.5 | -73.3 | -179.1 | -176.7 | 163.1 | 0 | 110.4 | N261 L266 S267 A268 E281 | N261-K264 HydrophobicContact CB-CB 4.16Å; N261-K264 HydrophobicContact CB-CD 4Å; N261-K264 HydrophobicContact CB-CG 4.13Å; N261-K264 WeakPolarHBondContact O-CB 3.49Å; N261-K264 PolarHBondContact O-N 3.08Å; N261-K264 VanDerWaalsContact O-N 3.08Å; N261-K264 PolarHBondContact OD1-N 3Å; N261-K264 VanDerWaalsContact OD1-N 3.14Å; K264-L266 PolarHBondContact O-N 3.09Å; K264-S267 PolarHBondContact O-N 3.22Å; K264-S267 PolarHBondContact O-OG 2.94Å; K264-A268 WeakPolarHBondContact O-CB 3.3Å; K264-A268 PolarHBondContact O-N 2.91Å; K264-E281 IonicContact NZ-OE2 3.54Å; K264-E281 PolarHBondContact NZ-OE2 2.97Å; K264-E281 VanDerWaalsContact NZ-OE2 3.15Å |
| 265 | F | 77 | Confident | 80.2 | Confident | 43 Ų | 43 | 53.1 Ų | 53.1 | 19% | 0.189 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -55.6 | -49.2 | 177.8 | -170.9 | -98.8 | 0 | 0 | 0 | 112.3 | N261 L262 W269 Y276 C279 | N261-F265 PolarHBondContact O-N 3.49Å; L262-F265 WeakPolarHBondContact O-CB 3.42Å; L262-F265 PolarHBondContact O-N 2.81Å; F265-W269 HydrophobicContact CD2-CE3 4.18Å; F265-W269 AromaticContact CD2-CH2 3.5Å; F265-W269 HydrophobicContact CD2-CH2 3.5Å; F265-W269 HydrophobicContact CD2-CZ2 4.2Å; F265-W269 AromaticContact CD2-CZ3 3.5Å; F265-W269 HydrophobicContact CD2-CZ3 3.5Å; F265-W269 HydrophobicContact CE2-CE3 4.4Å; F265-W269 AromaticContact CE2-CH2 3.27Å; F265-W269 HydrophobicContact CE2-CH2 3.27Å; F265-W269 AromaticContact CE2-CZ2 3.57Å; F265-W269 HydrophobicContact CE2-CZ2 3.57Å; F265-W269 AromaticContact CE2-CZ3 3.75Å; F265-W269 HydrophobicContact CE2-CZ3 3.75Å; F265-W269 HydrophobicContact CG-CE3 4.45Å; F265-W269 HydrophobicContact CG-CH2 4.49Å; F265-W269 HydrophobicContact CG-CZ3 4.16Å; F265-W269 HydrophobicContact CZ-CH2 4.12Å; F265-W269 AromaticContact CZ-CZ2 3.99Å; F265-W269 HydrophobicContact CZ-CZ2 3.99Å; F265-W269 PolarHBondContact O-N 3.17Å; F265-Y276 AromaticContact CE2-CD1 3.84Å; F265-Y276 HydrophobicContact CE2-CD1 3.84Å; F265-Y276 AromaticContact CE2-CE1 3.79Å; F265-Y276 HydrophobicContact CE2-CE1 3.79Å; F265-Y276 HydrophobicContact CZ-CE1 4.27Å; F265-C279 VanDerWaalsContact CA-SG 3.55Å; F265-C279 HydrophobicContact CB-CB 4.47Å |
| 266 | L | 75.3 | Confident | 79.8 | Confident | 116 Ų | 116 | 54.8 Ų | 54.8 | 61% | 0.607 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -72.7 | -36.6 | -179.3 | -65.2 | 172.2 | 0 | 0 | 0 | 113.5 | L262 K264 S270 | L262-L266 WeakPolarHBondContact O-CG 3.4Å; L262-L266 PolarHBondContact O-N 2.95Å; K264-L266 PolarHBondContact O-N 3.09Å; L266-S270 PolarHBondContact O-OG 2.93Å; L266-S270 VanDerWaalsContact O-OG 3.08Å |
| 267 | S | 71.6 | Confident | 79.6 | Confident | 59 Ų | 59 | 55.1 Ų | 55.1 | 41% | 0.413 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -78.8 | -33.5 | -178.2 | 62.8 | 0 | 0 | 0 | 0 | 113.6 | L263 K264 S270 I271 | L263-S267 WeakPolarHBondContact O-CB 3.47Å; L263-S267 PolarHBondContact O-N 3.06Å; L263-S267 PolarHBondContact O-OG 3.37Å; K264-S267 PolarHBondContact O-N 3.22Å; K264-S267 PolarHBondContact O-OG 2.94Å; S267-S270 PolarHBondContact O-N 3.47Å; S267-S270 PolarHBondContact O-OG 2.85Å; S267-I271 PolarHBondContact O-N 3.3Å; S267-I271 VanDerWaalsContact O-N 3.16Å |
| 268 | A | 64.8 | Low | 79.3 | Confident | 10 Ų | 10 | 58.9 Ų | 58.9 | 8% | 0.083 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -58.9 | -54.6 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110 | K264 S270 I271 R272 | K264-A268 WeakPolarHBondContact O-CB 3.3Å; K264-A268 PolarHBondContact O-N 2.91Å; A268-S270 PolarHBondContact O-N 2.86Å; A268-I271 PolarHBondContact O-N 2.92Å; A268-I271 VanDerWaalsContact O-N 3.08Å; A268-R272 CarbonylContact C-O 3.53Å; A268-R272 WeakPolarHBondContact CA-O 3.47Å; A268-R272 CarbonylContact O-C 3.54Å; A268-R272 VanDerWaalsContact O-C 3.3Å; A268-R272 PolarHBondContact O-N 3.49Å |
| 269 | W | 61.8 | Low | 79 | Confident | 70 Ų | 70 | 58.7 Ų | 58.7 | 27% | 0.265 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -58.6 | -23.9 | -175.8 | -90.8 | -108 | 0 | 0 | 0 | 114.3 | V127 F265 | V127-W269 HydrophobicContact CG1-CG 4.3Å; V127-W269 HydrophobicContact CG2-CB 4.25Å; V127-W269 VanDerWaalsContact CG2-CD1 3.46Å; V127-W269 HydrophobicContact CG2-CG 4Å; F265-W269 HydrophobicContact CD2-CE3 4.18Å; F265-W269 AromaticContact CD2-CH2 3.5Å; F265-W269 HydrophobicContact CD2-CH2 3.5Å; F265-W269 HydrophobicContact CD2-CZ2 4.2Å; F265-W269 AromaticContact CD2-CZ3 3.5Å; F265-W269 HydrophobicContact CD2-CZ3 3.5Å; F265-W269 HydrophobicContact CE2-CE3 4.4Å; F265-W269 AromaticContact CE2-CH2 3.27Å; F265-W269 HydrophobicContact CE2-CH2 3.27Å; F265-W269 AromaticContact CE2-CZ2 3.57Å; F265-W269 HydrophobicContact CE2-CZ2 3.57Å; F265-W269 AromaticContact CE2-CZ3 3.75Å; F265-W269 HydrophobicContact CE2-CZ3 3.75Å; F265-W269 HydrophobicContact CG-CE3 4.45Å; F265-W269 HydrophobicContact CG-CH2 4.49Å; F265-W269 HydrophobicContact CG-CZ3 4.16Å; F265-W269 HydrophobicContact CZ-CH2 4.12Å; F265-W269 AromaticContact CZ-CZ2 3.99Å; F265-W269 HydrophobicContact CZ-CZ2 3.99Å; F265-W269 PolarHBondContact O-N 3.17Å |
| 270 | S | 58.5 | Low | 78.9 | Confident | 87 Ų | 87 | 60.1 Ų | 60.1 | 61% | 0.608 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -95 | -23.7 | 179.9 | 47.7 | 0 | 0 | 0 | 0 | 114.8 | L266 S267 A268 | L266-S270 PolarHBondContact O-OG 2.93Å; L266-S270 VanDerWaalsContact O-OG 3.08Å; S267-S270 PolarHBondContact O-N 3.47Å; S267-S270 PolarHBondContact O-OG 2.85Å; A268-S270 PolarHBondContact O-N 2.86Å |
| 271 | I | 57.7 | Low | 79.1 | Confident | 133 Ų | 133 | 61.3 Ų | 61.3 | 68% | 0.682 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -132.4 | -36.4 | -168.9 | -53.4 | 176.2 | 0 | 0 | 0 | 113.5 | S267 A268 | S267-I271 PolarHBondContact O-N 3.3Å; S267-I271 VanDerWaalsContact O-N 3.16Å; A268-I271 PolarHBondContact O-N 2.92Å; A268-I271 VanDerWaalsContact O-N 3.08Å |
| 272 | R | 60.9 | Low | 79.3 | Confident | 200 Ų | 200 | 62.5 Ų | 62.5 | 76% | 0.755 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -133 | 124.7 | -173 | -71.4 | -175.8 | 176.4 | 177.1 | -1.1 | 110.8 | A268 S274 | A268-R272 CarbonylContact C-O 3.53Å; A268-R272 WeakPolarHBondContact CA-O 3.47Å; A268-R272 CarbonylContact O-C 3.54Å; A268-R272 VanDerWaalsContact O-C 3.3Å; A268-R272 PolarHBondContact O-N 3.49Å; R272-S274 PolarHBondContact O-N 2.88Å |
| 273 | G | 70.1 | Confident | 80 | Confident | 52 Ų | 52 | 61.7 Ų | 61.7 | 54% | 0.536 | 33% | 0.325 | S | S | . | . | trans | -55.3 | 125.4 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 274 | S | 82.6 | Confident | 80.6 | Confident | 17 Ų | 17 | 62.6 Ų | 62.6 | 12% | 0.119 | 33% | 0.326 | C | S | . | . | trans | -154.9 | 157.3 | -172.7 | -154.9 | 0 | 0 | 0 | 0 | 110.1 | F106 R272 D278 | F106-S274 VanDerWaalsContact CD2-N 3.27Å; F106-S274 WeakPolarHBondContact CD2-O 3.44Å; R272-S274 PolarHBondContact O-N 2.88Å; S274-D278 WeakPolarHBondContact CA-OD2 3.3Å; S274-D278 WeakPolarHBondContact CB-OD2 3.35Å; S274-D278 WeakPolarHBondContact OG-CB 3.44Å; S274-D278 VanDerWaalsContact OG-CG 3.29Å; S274-D278 PolarHBondContact OG-OD2 2.81Å | ||
| 275 | N | 87.8 | Confident | 81.1 | Confident | 14 Ų | 14 | 63.8 Ų | 63.8 | 8% | 0.075 | 35% | 0.345 | C | S | . | . | trans | -111.1 | -176.2 | 177.5 | 59.7 | 47.2 | 0 | 0 | 0 | 111.3 | T101 F103 G104 M277 D278 | T101-N275 HydrophobicContact CG2-CB 4.13Å; F103-N275 WeakPolarHBondContact O-CB 3.38Å; G104-N275 PolarHBondContact O-ND2 3.34Å; N275-M277 WeakPolarHBondContact OD1-CA 3.13Å; N275-M277 VanDerWaalsContact OD1-CB 3.27Å; N275-M277 WeakPolarHBondContact OD1-CB 3.29Å; N275-M277 PolarHBondContact OD1-N 3.27Å; N275-D278 PolarHBondContact N-OD2 3.1Å; N275-D278 VanDerWaalsContact OD1-CG 3.29Å; N275-D278 PolarHBondContact OD1-N 2.84Å; N275-D278 PolarHBondContact OD1-OD2 2.92Å | ||
| 276 | Y | 90.3 | Very high | 82 | Confident | 34 Ų | 34 | 62.5 Ų | 62.5 | 13% | 0.133 | 34% | 0.34 | C | S | . | . | S | Bend | trans | -68.2 | -38.3 | 178.4 | -59.9 | -94.9 | 0 | 0 | 0 | 111.5 | T101 E102 F103 T130 F265 D278 C279 F280 | T101-Y276 HydrophobicContact CG2-CD2 4.48Å; T101-Y276 HydrophobicContact CG2-CE2 4.26Å; E102-Y276 VanDerWaalsContact O-CD2 3.25Å; E102-Y276 WeakPolarHBondContact O-CD2 3.12Å; F103-Y276 PolarHBondContact O-N 3.22Å; T130-Y276 HydrophobicContact CG2-CE2 4.15Å; T130-Y276 PolarHBondContact N-OH 3.27Å; F265-Y276 AromaticContact CE2-CD1 3.84Å; F265-Y276 HydrophobicContact CE2-CD1 3.84Å; F265-Y276 AromaticContact CE2-CE1 3.79Å; F265-Y276 HydrophobicContact CE2-CE1 3.79Å; F265-Y276 HydrophobicContact CZ-CE1 4.27Å; Y276-D278 VanDerWaalsContact C-N 3.28Å; Y276-D278 PolarHBondContact O-N 3.43Å; Y276-C279 VanDerWaalsContact O-CB 3.29Å; Y276-C279 WeakPolarHBondContact O-CB 3.38Å; Y276-C279 PolarHBondContact O-N 3.34Å; Y276-F280 WeakPolarHBondContact O-CD2 3.4Å; Y276-F280 WeakPolarHBondContact O-CE2 3.47Å |
| 277 | M | 93.3 | Very high | 83 | Confident | 13 Ų | 13 | 57.5 Ų | 57.5 | 6% | 0.064 | 32% | 0.316 | C | S | . | . | G | 310 helix | trans | -55.5 | -40.7 | -180 | -167.1 | 62.8 | -177.8 | 0 | 0 | 112.6 | F103 N275 C279 F280 F337 N340 W343 | F103-M277 HydrophobicContact CE1-CB 4.12Å; F103-M277 HydrophobicContact CE1-CG 4.27Å; F103-M277 HydrophobicContact CE1-SD 3.45Å; F103-M277 WeakPolarHBondContact CE1-SD 3.34Å; F103-M277 HydrophobicContact CZ-CB 4.34Å; F103-M277 HydrophobicContact CZ-SD 3.46Å; F103-M277 WeakPolarHBondContact CZ-SD 3.39Å; F103-M277 PolarHBondContact O-N 2.93Å; N275-M277 WeakPolarHBondContact OD1-CA 3.13Å; N275-M277 VanDerWaalsContact OD1-CB 3.27Å; N275-M277 WeakPolarHBondContact OD1-CB 3.29Å; N275-M277 PolarHBondContact OD1-N 3.27Å; M277-C279 PolarHBondContact O-N 2.83Å; M277-C279 VanDerWaalsContact O-N 3.11Å; M277-F280 PolarHBondContact O-N 2.98Å; M277-F280 VanDerWaalsContact O-N 3.09Å; M277-F280 HydrophobicContact SD-CD2 4.5Å; M277-F337 HydrophobicContact CE-CD1 3.69Å; M277-F337 HydrophobicContact CE-CE1 4.07Å; M277-F337 HydrophobicContact SD-CD1 3.92Å; M277-F337 HydrophobicContact SD-CE1 3.72Å; M277-N340 HydrophobicContact CE-CB 4.35Å; M277-N340 WeakPolarHBondContact CE-OD1 3.42Å; M277-W343 HydrophobicContact CB-CH2 4.48Å; M277-W343 HydrophobicContact CG-CH2 4.33Å; M277-W343 HydrophobicContact CG-CZ2 3.94Å |
| 278 | D | 90.6 | Very high | 84.3 | Confident | 78 Ų | 78 | 54.7 Ų | 54.7 | 42% | 0.417 | 30% | 0.297 | S | S | . | . | G | 310 helix | trans | -61.8 | -19.9 | 177.9 | -62.8 | -34.9 | 0 | 0 | 0 | 113.9 | S274 N275 Y276 | S274-D278 WeakPolarHBondContact CA-OD2 3.3Å; S274-D278 WeakPolarHBondContact CB-OD2 3.35Å; S274-D278 WeakPolarHBondContact OG-CB 3.44Å; S274-D278 VanDerWaalsContact OG-CG 3.29Å; S274-D278 PolarHBondContact OG-OD2 2.81Å; N275-D278 PolarHBondContact N-OD2 3.1Å; N275-D278 VanDerWaalsContact OD1-CG 3.29Å; N275-D278 PolarHBondContact OD1-N 2.84Å; N275-D278 PolarHBondContact OD1-OD2 2.92Å; Y276-D278 VanDerWaalsContact C-N 3.28Å; Y276-D278 PolarHBondContact O-N 3.43Å |
| 279 | C | 91.4 | Very high | 85.9 | Confident | 1 Ų | 1 | 55.1 Ų | 55.1 | 1% | 0.007 | 30% | 0.297 | C | S | . | . | G | 310 helix | trans | -86.9 | -11.9 | -179.3 | -58.7 | 0 | 0 | 0 | 0 | 112.5 | N261 F265 Y276 M277 | N261-C279 WeakPolarHBondContact CB-O 3.31Å; N261-C279 PolarHBondContact N-O 3.11Å; F265-C279 VanDerWaalsContact CA-SG 3.55Å; F265-C279 HydrophobicContact CB-CB 4.47Å; Y276-C279 VanDerWaalsContact O-CB 3.29Å; Y276-C279 WeakPolarHBondContact O-CB 3.38Å; Y276-C279 PolarHBondContact O-N 3.34Å; M277-C279 PolarHBondContact O-N 2.83Å; M277-C279 VanDerWaalsContact O-N 3.11Å |
| 280 | F | 94.6 | Very high | 87.6 | Confident | 30 Ų | 30 | 51.8 Ų | 51.8 | 13% | 0.132 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 144.8 | 177.9 | -68.5 | -89.9 | 0 | 0 | 0 | 112.2 | F103 Y240 V258 K259 I260 Y276 M277 F337 | F103-F280 HydrophobicContact CE2-CD2 4.49Å; F103-F280 AromaticContact CE2-CE2 3.61Å; F103-F280 HydrophobicContact CE2-CE2 3.61Å; F103-F280 HydrophobicContact CE2-CZ 4.12Å; F103-F280 HydrophobicContact CZ-CD2 4.46Å; F103-F280 AromaticContact CZ-CE2 3.97Å; F103-F280 HydrophobicContact CZ-CE2 3.97Å; Y240-F280 AromaticContact CD2-CE1 3.73Å; Y240-F280 HydrophobicContact CD2-CE1 3.73Å; Y240-F280 HydrophobicContact CD2-CZ 4.01Å; Y240-F280 AromaticContact CG-CE1 3.91Å; Y240-F280 HydrophobicContact CG-CE1 3.91Å; V258-F280 HydrophobicContact CG1-CD1 3.8Å; K259-F280 CarbonylContact O-C 3.55Å; K259-F280 VanDerWaalsContact O-CA 3.27Å; K259-F280 WeakPolarHBondContact O-CA 3.36Å; I260-F280 HydrophobicContact CD1-CE1 4.07Å; I260-F280 HydrophobicContact CD1-CZ 4.38Å; I260-F280 HydrophobicContact CG1-CD1 3.91Å; I260-F280 HydrophobicContact CG1-CE1 3.47Å; I260-F280 VanDerWaalsContact CG1-CE1 3.47Å; I260-F280 HydrophobicContact CG1-CZ 4.04Å; Y276-F280 WeakPolarHBondContact O-CD2 3.4Å; Y276-F280 WeakPolarHBondContact O-CE2 3.47Å; M277-F280 PolarHBondContact O-N 2.98Å; M277-F280 VanDerWaalsContact O-N 3.09Å; M277-F280 HydrophobicContact SD-CD2 4.5Å; F280-F337 HydrophobicContact CB-CD1 3.85Å; F280-F337 HydrophobicContact CB-CE1 4.02Å; F280-F337 HydrophobicContact CD1-CD1 4.23Å; F280-F337 AromaticContact CD1-CE1 3.74Å; F280-F337 HydrophobicContact CD1-CE1 3.74Å; F280-F337 HydrophobicContact CD1-CZ 4.14Å; F280-F337 HydrophobicContact CD2-CD1 4.45Å; F280-F337 AromaticContact CD2-CE1 3.79Å; F280-F337 HydrophobicContact CD2-CE1 3.79Å; F280-F337 HydrophobicContact CE1-CE1 4.09Å; F280-F337 HydrophobicContact CE1-CZ 4.12Å; F280-F337 HydrophobicContact CE2-CE1 4.15Å; F280-F337 AromaticContact CG-CD1 3.92Å; F280-F337 HydrophobicContact CG-CD1 3.92Å; F280-F337 AromaticContact CG-CE1 3.56Å; F280-F337 HydrophobicContact CG-CE1 3.56Å; F280-F337 HydrophobicContact CG-CZ 4.38Å; F280-F337 HydrophobicContact CZ-CE1 4.28Å; F280-F337 HydrophobicContact CZ-CZ 4.37Å |
| 281 | E | 95.4 | Very high | 89.5 | Confident | 50 Ų | 50 | 48 Ų | 48 | 23% | 0.234 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 161 | 171.8 | 60 | -170.4 | -144 | 0 | 0 | 110.4 | K237 K259 N261 K264 | K237-E281 VanDerWaalsContact CD-OE1 3.27Å; K237-E281 WeakPolarHBondContact CD-OE1 3.37Å; K237-E281 WeakPolarHBondContact CE-OE1 3.34Å; K237-E281 IonicContact NZ-OE1 3.06Å; K237-E281 PolarHBondContact NZ-OE1 3.44Å; K259-E281 HydrophobicContact CB-CG 4.17Å; K259-E281 PolarHBondContact N-O 2.76Å; K259-E281 PolarHBondContact O-N 2.91Å; N261-E281 HydrophobicContact CB-CG 4.38Å; N261-E281 PolarHBondContact ND2-OE1 3.01Å; N261-E281 PolarHBondContact ND2-OE2 3.04Å; K264-E281 IonicContact NZ-OE2 3.54Å; K264-E281 PolarHBondContact NZ-OE2 2.97Å; K264-E281 VanDerWaalsContact NZ-OE2 3.15Å |
| 282 | S | 96.1 | Very high | 91.4 | Very high | 44 Ų | 44 | 41.8 Ų | 41.8 | 31% | 0.308 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 130.5 | -180 | -61.6 | 0 | 0 | 0 | 0 | 110.9 | P257 F335 | P257-S282 WeakPolarHBondContact O-CA 3.35Å; S282-F335 VanDerWaalsContact CB-O 3.25Å; S282-F335 WeakPolarHBondContact CB-O 3.13Å; S282-F335 PolarHBondContact OG-O 3.46Å |
| 283 | N | 96 | Very high | 93.2 | Very high | 36 Ų | 36 | 32.2 Ų | 32.2 | 19% | 0.193 | 19% | 0.189 | C | C | . | . | trans | -90.6 | 102.5 | 169.5 | -174.6 | -26.5 | 0 | 0 | 0 | 110.3 | E234 P257 K259 S285 Q286 | E234-N283 PolarHBondContact OE1-ND2 3.13Å; P257-N283 VanDerWaalsContact CB-O 3.27Å; P257-N283 WeakPolarHBondContact CB-O 3.43Å; P257-N283 PolarHBondContact O-N 3.03Å; K259-N283 HydrophobicContact CG-CB 4.28Å; N283-S285 PolarHBondContact O-N 2.88Å; N283-S285 PolarHBondContact OD1-N 3Å; N283-S285 PolarHBondContact OD1-OG 2.83Å; N283-Q286 HydrophobicContact CB-CB 4.14Å; N283-Q286 PolarHBondContact OD1-N 2.89Å | ||
| 284 | E | 94.3 | Very high | 94.5 | Very high | 144 Ų | 144 | 33.3 Ų | 33.3 | 67% | 0.673 | 18% | 0.179 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -23.6 | -176.5 | -56.4 | -174.1 | -172 | 0 | 0 | 113.9 | F335 | E284-F335 HydrophobicContact CB-CD1 4.49Å; E284-F335 HydrophobicContact CB-CE1 4.29Å; E284-F335 HydrophobicContact CB-CZ 4.37Å; E284-F335 HydrophobicContact CG-CD1 4.5Å; E284-F335 HydrophobicContact CG-CD2 4.12Å; E284-F335 HydrophobicContact CG-CE1 4.15Å; E284-F335 HydrophobicContact CG-CE2 3.74Å; E284-F335 HydrophobicContact CG-CG 4.48Å; E284-F335 HydrophobicContact CG-CZ 3.75Å |
| 285 | S | 94.3 | Very high | 95.2 | Very high | 108 Ų | 108 | 33.7 Ų | 33.7 | 76% | 0.755 | 18% | 0.179 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -98.9 | -15.5 | -172.4 | 68.7 | 0 | 0 | 0 | 0 | 114.7 | N283 G287 | N283-S285 PolarHBondContact O-N 2.88Å; N283-S285 PolarHBondContact OD1-N 3Å; N283-S285 PolarHBondContact OD1-OG 2.83Å; S285-G287 PolarHBondContact O-N 3.46Å |
| 286 | Q | 94.3 | Very high | 95.4 | Very high | 17 Ų | 17 | 39.9 Ų | 39.9 | 8% | 0.079 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -35.7 | -173.5 | -174.2 | -177.7 | -86.7 | 0 | 0 | 112.6 | T256 N283 I289 | T256-Q286 PolarHBondContact O-NE2 3.37Å; N283-Q286 HydrophobicContact CB-CB 4.14Å; N283-Q286 PolarHBondContact OD1-N 2.89Å; Q286-I289 HydrophobicContact CG-CD1 3.86Å; Q286-I289 HydrophobicContact CG-CG1 4.4Å |
| 287 | G | 96.6 | Very high | 95.5 | Very high | 11 Ų | 11 | 43.1 Ų | 43.1 | 11% | 0.113 | 24% | 0.237 | C | C | . | . | trans | 65.1 | -153.4 | -160.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | S285 | S285-G287 PolarHBondContact O-N 3.46Š| ||
| 288 | T | 98.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 136 | 172.8 | -64.6 | 0 | 0 | 0 | 0 | 109.5 | V254 F290 K306 G307 A308 I310 | V254-T288 HydrophobicContact CG1-CG2 3.43Å; V254-T288 VanDerWaalsContact CG1-CG2 3.43Å; T288-F290 HydrophobicContact CG2-CD1 4.48Å; T288-F290 HydrophobicContact CG2-CE1 3.9Å; T288-F290 HydrophobicContact CG2-CE2 4Å; T288-F290 HydrophobicContact CG2-CZ 3.63Å; T288-K306 CarbonylContact O-C 3.54Å; T288-K306 VanDerWaalsContact O-CA 3.26Å; T288-K306 WeakPolarHBondContact O-CA 3.27Å; T288-G307 PolarHBondContact N-O 3.08Å; T288-G307 PolarHBondContact O-N 2.82Å; T288-A308 PolarHBondContact OG1-O 2.95Å; T288-I310 HydrophobicContact CG2-CD1 4.4Å; T288-I310 HydrophobicContact CG2-CG1 3.96Å; T288-I310 VanDerWaalsContact OG1-CG1 3.31Å; T288-I310 WeakPolarHBondContact OG1-CG1 3.46Å; T288-I310 PolarHBondContact OG1-N 2.94Å |
| 289 | I | 98.3 | Very high | 95.9 | Very high | 19 Ų | 19 | 44.4 Ų | 44.4 | 10% | 0.097 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 137.1 | 177.9 | -58.6 | 164.2 | 0 | 0 | 0 | 108.2 | A233 E255 Q286 H291 F305 K306 | A233-I289 HydrophobicContact CB-CD1 3.48Å; A233-I289 VanDerWaalsContact CB-CD1 3.48Å; E255-I289 HydrophobicContact CB-CB 4.21Å; E255-I289 PolarHBondContact N-O 3.3Å; E255-I289 PolarHBondContact O-N 3.05Å; Q286-I289 HydrophobicContact CG-CD1 3.86Å; Q286-I289 HydrophobicContact CG-CG1 4.4Å; I289-H291 WeakPolarHBondContact CG2-NE2 3.39Å; I289-F305 WeakPolarHBondContact CA-O 3.39Å; I289-K306 HydrophobicContact CG1-CD 4.33Å; I289-K306 HydrophobicContact CG1-CG 4.19Å |
| 290 | F | 98.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 118 | 179.1 | -50.4 | -94.5 | 0 | 0 | 0 | 108.9 | V254 T288 F305 F327 Y369 I371 L404 | V254-F290 HydrophobicContact CB-CD1 4.45Å; V254-F290 HydrophobicContact CG1-CD1 4.02Å; V254-F290 HydrophobicContact CG1-CE1 3.88Å; V254-F290 HydrophobicContact CG2-CD1 3.96Å; V254-F290 HydrophobicContact CG2-CE1 4.3Å; T288-F290 HydrophobicContact CG2-CD1 4.48Å; T288-F290 HydrophobicContact CG2-CE1 3.9Å; T288-F290 HydrophobicContact CG2-CE2 4Å; T288-F290 HydrophobicContact CG2-CZ 3.63Å; F290-F305 HydrophobicContact CB-CB 3.85Å; F290-F305 HydrophobicContact CD2-CB 4.33Å; F290-F305 PolarHBondContact N-O 2.76Å; F290-F305 WeakPolarHBondContact O-CB 3.36Å; F290-F327 AromaticContact CD1-CE2 3.88Å; F290-F327 HydrophobicContact CD1-CE2 3.88Å; F290-F327 AromaticContact CD1-CZ 3.56Å; F290-F327 HydrophobicContact CD1-CZ 3.56Å; F290-F327 AromaticContact CE1-CE2 3.99Å; F290-F327 HydrophobicContact CE1-CE2 3.99Å; F290-F327 AromaticContact CE1-CZ 3.93Å; F290-F327 HydrophobicContact CE1-CZ 3.93Å; F290-F327 HydrophobicContact CG-CZ 4.37Å; F290-Y369 HydrophobicContact CE1-CD1 4.33Å; F290-Y369 HydrophobicContact CE1-CD2 4.35Å; F290-Y369 HydrophobicContact CE1-CE1 4.35Å; F290-Y369 HydrophobicContact CE1-CE2 4.38Å; F290-Y369 HydrophobicContact CE1-CG 4.32Å; F290-Y369 HydrophobicContact CE2-CE1 4.4Å; F290-Y369 HydrophobicContact CZ-CD1 4Å; F290-Y369 AromaticContact CZ-CE1 3.71Å; F290-Y369 HydrophobicContact CZ-CE1 3.71Å; F290-Y369 HydrophobicContact CZ-CE2 4.35Å; F290-Y369 HydrophobicContact CZ-CG 4.44Å; F290-Y369 AromaticContact CZ-CZ 3.9Å; F290-I371 HydrophobicContact CB-CD1 4.06Å; F290-L404 HydrophobicContact CB-CD1 4.37Å; F290-L404 HydrophobicContact CD2-CD1 3.61Å; F290-L404 HydrophobicContact CD2-CG 4.33Å; F290-L404 HydrophobicContact CE2-CB 4.34Å; F290-L404 HydrophobicContact CE2-CD1 3.95Å; F290-L404 HydrophobicContact CE2-CG 4.46Å; F290-L404 HydrophobicContact CG-CD1 3.93Å |
| 291 | H | 98.4 | Very high | 96.2 | Very high | 8 Ų | 8 | 47.4 Ų | 47.4 | 4% | 0.037 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 142.8 | 177.9 | -60.9 | -80.8 | 0 | 0 | 0 | 110.1 | F230 V252 F253 E255 I289 Y300 | F230-H291 HydrophobicContact CD1-CB 3.48Å; F230-H291 VanDerWaalsContact CD1-CB 3.48Å; F230-H291 HydrophobicContact CE1-CB 3.72Å; F230-H291 HydrophobicContact CG-CB 4.24Å; V252-H291 WeakPolarHBondContact CA-O 3.48Å; F253-H291 HydrophobicContact CB-CB 4.22Å; F253-H291 HydrophobicContact CD1-CB 4.1Å; F253-H291 AromaticContact CD1-CD2 3.39Å; F253-H291 WeakPolarHBondContact CD1-CD2 3.04Å; F253-H291 AromaticContact CD1-CG 3.98Å; F253-H291 AromaticContact CE1-CD2 3.66Å; F253-H291 PolarHBondContact N-O 3.18Å; F253-H291 PolarHBondContact O-N 2.64Å; E255-H291 IonicContact OE2-CE1 3.24Å; E255-H291 IonicContact OE2-NE2 3.87Å; E255-H291 PolarHBondContact OE2-NE2 2.91Å; I289-H291 WeakPolarHBondContact CG2-NE2 3.39Å; H291-Y300 HydrophobicContact CB-CE2 4.08Å; H291-Y300 AromaticContact ND1-CE2 3.71Å; H291-Y300 AromaticContact ND1-CZ 3.9Å; H291-Y300 PolarHBondContact ND1-OH 2.81Å |
| 292 | V | 98.3 | Very high | 96.2 | Very high | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.006 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 140.7 | 176.1 | -175.6 | 0 | 0 | 0 | 0 | 109.4 | Y250 F251 Y300 I301 F305 I325 I371 | Y250-V292 HydrophobicContact CD1-CG1 3.86Å; Y250-V292 HydrophobicContact CG-CG1 4.43Å; F251-V292 WeakPolarHBondContact O-CA 3.33Å; V292-Y300 WeakPolarHBondContact O-CD2 3.5Å; V292-I301 HydrophobicContact CB-CB 4.42Å; V292-I301 HydrophobicContact CB-CD1 4.32Å; V292-I301 HydrophobicContact CG1-CD1 3.75Å; V292-I301 HydrophobicContact CG1-CG1 4.48Å; V292-I301 WeakPolarHBondContact O-CB 3.31Å; V292-I301 PolarHBondContact O-N 3.36Å; V292-F305 HydrophobicContact CG2-CD2 4.47Å; V292-F305 HydrophobicContact CG2-CE2 4.31Å; V292-I325 HydrophobicContact CG1-CD1 3.43Å; V292-I325 VanDerWaalsContact CG1-CD1 3.43Å; V292-I325 HydrophobicContact CG2-CD1 4.31Å; V292-I371 HydrophobicContact CG2-CD1 3.65Å; V292-I371 HydrophobicContact CG2-CG2 4.11Å |
| 293 | A | 98.4 | Very high | 96 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 144.9 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | V228 F230 Y250 F251 E299 | V228-A293 HydrophobicContact CB-CB 4.33Å; V228-A293 HydrophobicContact CG1-CB 3.8Å; V228-A293 HydrophobicContact CG2-CB 3.8Å; F230-A293 HydrophobicContact CE1-CB 3.57Å; F230-A293 HydrophobicContact CZ-CB 3.6Å; Y250-A293 CarbonylContact C-O 3.59Å; Y250-A293 VanDerWaalsContact CA-O 3.25Å; Y250-A293 WeakPolarHBondContact CA-O 3.47Å; F251-A293 PolarHBondContact N-O 3.3Å; F251-A293 PolarHBondContact O-N 3.5Å; A293-E299 CarbonylContact C-O 3.59Å; A293-E299 WeakPolarHBondContact CA-O 3.4Å; A293-E299 WeakPolarHBondContact CB-O 3.3Å |
| 294 | K | 97.6 | Very high | 95.9 | Very high | 74 Ų | 74 | 55.8 Ų | 55.8 | 32% | 0.322 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 136 | 165.7 | -66.7 | 177.4 | -175.5 | 167.2 | 0 | 109.2 | N249 Y250 G298 E299 I301 | N249-K294 CarbonylContact O-C 3.47Å; N249-K294 WeakPolarHBondContact O-CA 3.14Å; Y250-K294 HydrophobicContact CD1-CG 4.1Å; Y250-K294 HydrophobicContact CE1-CG 3.65Å; K294-G298 CarbonylContact O-C 3.58Å; K294-G298 WeakPolarHBondContact O-CA 3.48Å; K294-G298 PolarHBondContact O-N 3.18Å; K294-E299 HydrophobicContact CB-CB 4.35Å; K294-E299 PolarHBondContact N-O 2.87Å; K294-E299 IonicContact NZ-OE2 3.95Å; K294-E299 PolarHBondContact O-N 3.34Å; K294-I301 HydrophobicContact CG-CD1 4.34Å |
| 295 | K | 95.9 | Very high | 96.1 | Very high | 26 Ų | 26 | 49 Ų | 49 | 11% | 0.113 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72 | -38.4 | 179 | 178 | 175.4 | 168.5 | -160.3 | 0 | 112.7 | E185 Y191 E248 N249 F251 G298 | E185-K295 VanDerWaalsContact CD-NZ 3.34Å; E185-K295 IonicContact OE1-NZ 2.81Å; E185-K295 PolarHBondContact OE1-NZ 2.84Å; E185-K295 IonicContact OE2-NZ 3.48Å; Y191-K295 WeakPolarHBondContact OH-CE 3.27Å; E248-K295 WeakPolarHBondContact O-CD 3.5Å; E248-K295 PolarHBondContact O-NZ 2.72Å; N249-K295 WeakPolarHBondContact O-CB 3.19Å; N249-K295 PolarHBondContact O-N 3.15Å; F251-K295 HydrophobicContact CD2-CB 4.33Å; F251-K295 HydrophobicContact CE1-CD 4.48Å; F251-K295 HydrophobicContact CE1-CG 4.43Å; F251-K295 HydrophobicContact CE2-CB 3.83Å; F251-K295 HydrophobicContact CE2-CG 3.81Å; F251-K295 HydrophobicContact CZ-CB 4.07Å; F251-K295 HydrophobicContact CZ-CD 4.09Å; F251-K295 HydrophobicContact CZ-CG 3.63Å; K295-G298 PolarHBondContact O-N 3.41Å |
| 296 | D | 93.6 | Very high | 96.3 | Very high | 144 Ų | 144 | 47.1 Ų | 47.1 | 77% | 0.77 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -134.2 | 119.8 | 174.3 | -168.9 | 24.5 | 0 | 0 | 0 | 107.7 | ||
| 297 | P | 91.8 | Very high | 96.4 | Very high | 102 Ų | 102 | 46.3 Ų | 46.3 | 66% | 0.662 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | cis | -81.3 | 9.8 | 12.6 | 34.6 | -37.6 | 0 | 0 | 0 | 116.7 | ||
| 298 | G | 95.4 | Very high | 96.5 | Very high | 19 Ų | 19 | 47.3 Ų | 47.3 | 20% | 0.196 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 85.2 | 66.6 | -173.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | K294 K295 | K294-G298 CarbonylContact O-C 3.58Å; K294-G298 WeakPolarHBondContact O-CA 3.48Å; K294-G298 PolarHBondContact O-N 3.18Å; K295-G298 PolarHBondContact O-N 3.41Å |
| 299 | E | 96.8 | Very high | 96.5 | Very high | 99 Ų | 99 | 49.3 Ų | 49.3 | 46% | 0.463 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 123.9 | -170.1 | -174.9 | -175.7 | -165.9 | 0 | 0 | 111.1 | A293 K294 | A293-E299 CarbonylContact C-O 3.59Å; A293-E299 WeakPolarHBondContact CA-O 3.4Å; A293-E299 WeakPolarHBondContact CB-O 3.3Å; K294-E299 HydrophobicContact CB-CB 4.35Å; K294-E299 PolarHBondContact N-O 2.87Å; K294-E299 IonicContact NZ-OE2 3.95Å; K294-E299 PolarHBondContact O-N 3.34Å |
| 300 | Y | 96.9 | Very high | 96.5 | Very high | 57 Ų | 57 | 48.4 Ų | 48.4 | 22% | 0.224 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 130.6 | 173.6 | 173.9 | -114.7 | 0 | 0 | 0 | 110.8 | F230 P231 H291 V292 D302 | F230-Y300 AromaticContact CD1-CD2 3.61Å; F230-Y300 HydrophobicContact CD1-CD2 3.61Å; F230-Y300 AromaticContact CD1-CE2 3.88Å; F230-Y300 HydrophobicContact CD1-CE2 3.88Å; F230-Y300 AromaticContact CE1-CD2 3.95Å; F230-Y300 HydrophobicContact CE1-CD2 3.95Å; F230-Y300 HydrophobicContact CE1-CE2 4.37Å; P231-Y300 HydrophobicContact CG-CE1 4.03Å; P231-Y300 HydrophobicContact CG-CE2 4.38Å; H291-Y300 HydrophobicContact CB-CE2 4.08Å; H291-Y300 AromaticContact ND1-CE2 3.71Å; H291-Y300 AromaticContact ND1-CZ 3.9Å; H291-Y300 PolarHBondContact ND1-OH 2.81Å; V292-Y300 WeakPolarHBondContact O-CD2 3.5Å; Y300-D302 HydrophobicContact CD1-CB 4.18Å; Y300-D302 HydrophobicContact CE1-CB 3.85Å |
| 301 | I | 96 | Very high | 96.4 | Very high | 36 Ų | 36 | 48.8 Ų | 48.8 | 19% | 0.185 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 106.9 | 175.3 | -57 | -177.8 | 0 | 0 | 0 | 107.9 | Y250 V292 K294 L303 | Y250-I301 HydrophobicContact CD1-CD1 4.09Å; Y250-I301 HydrophobicContact CE1-CD1 3.81Å; V292-I301 HydrophobicContact CB-CB 4.42Å; V292-I301 HydrophobicContact CB-CD1 4.32Å; V292-I301 HydrophobicContact CG1-CD1 3.75Å; V292-I301 HydrophobicContact CG1-CG1 4.48Å; V292-I301 WeakPolarHBondContact O-CB 3.31Å; V292-I301 PolarHBondContact O-N 3.36Å; K294-I301 HydrophobicContact CG-CD1 4.34Å; I301-L303 HydrophobicContact CG2-CB 4.31Å; I301-L303 HydrophobicContact CG2-CD1 3.98Å; I301-L303 HydrophobicContact CG2-CG 3.97Å; I301-L303 PolarHBondContact O-N 2.81Å |
| 302 | D | 93.8 | Very high | 96.2 | Very high | 126 Ų | 126 | 48.9 Ų | 48.9 | 67% | 0.674 | 26% | 0.258 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 62.1 | -177.1 | -166 | 24.9 | 0 | 0 | 0 | 112.5 | Y300 | Y300-D302 HydrophobicContact CD1-CB 4.18Å; Y300-D302 HydrophobicContact CE1-CB 3.85Å |
| 303 | L | 92.8 | Very high | 96.1 | Very high | 51 Ų | 51 | 49.6 Ų | 49.6 | 27% | 0.267 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 139.3 | 170.3 | -68.6 | 178.2 | 0 | 0 | 0 | 109.6 | I301 F305 V375 | I301-L303 HydrophobicContact CG2-CB 4.31Å; I301-L303 HydrophobicContact CG2-CD1 3.98Å; I301-L303 HydrophobicContact CG2-CG 3.97Å; I301-L303 PolarHBondContact O-N 2.81Å; L303-F305 HydrophobicContact CB-CD2 4.2Å; L303-F305 HydrophobicContact CB-CE2 3.52Å; L303-F305 HydrophobicContact CB-CZ 3.81Å; L303-F305 HydrophobicContact CD1-CE2 4.26Å; L303-F305 HydrophobicContact CD1-CZ 3.87Å; L303-F305 PolarHBondContact O-N 2.81Å; L303-V375 HydrophobicContact CD1-CB 4.34Å; L303-V375 HydrophobicContact CD1-CG2 4.09Å |
| 304 | K | 93.7 | Very high | 96.2 | Very high | 130 Ų | 130 | 50.1 Ų | 50.1 | 57% | 0.565 | 26% | 0.263 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 84.1 | -173.5 | -65.3 | -179.6 | -174.8 | 174.5 | 0 | 111 | I402 | K304-I402 PolarHBondContact O-N 2.97Å |
| 305 | F | 97.9 | Very high | 96.2 | Very high | 2 Ų | 2 | 47.5 Ų | 47.5 | 1% | 0.009 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 127.3 | 171.6 | -55.6 | -79.3 | 0 | 0 | 0 | 110.5 | I289 F290 V292 L303 I371 P372 I402 L404 | I289-F305 WeakPolarHBondContact CA-O 3.39Å; F290-F305 HydrophobicContact CB-CB 3.85Å; F290-F305 HydrophobicContact CD2-CB 4.33Å; F290-F305 PolarHBondContact N-O 2.76Å; F290-F305 WeakPolarHBondContact O-CB 3.36Å; V292-F305 HydrophobicContact CG2-CD2 4.47Å; V292-F305 HydrophobicContact CG2-CE2 4.31Å; L303-F305 HydrophobicContact CB-CD2 4.2Å; L303-F305 HydrophobicContact CB-CE2 3.52Å; L303-F305 HydrophobicContact CB-CZ 3.81Å; L303-F305 HydrophobicContact CD1-CE2 4.26Å; L303-F305 HydrophobicContact CD1-CZ 3.87Å; L303-F305 PolarHBondContact O-N 2.81Å; F305-I371 HydrophobicContact CD1-CG1 4.3Å; F305-I371 HydrophobicContact CD1-CG2 4.23Å; F305-I371 HydrophobicContact CD2-CG2 4.37Å; F305-I371 HydrophobicContact CE1-CG2 3.66Å; F305-I371 HydrophobicContact CE2-CG2 3.81Å; F305-I371 HydrophobicContact CG-CD1 4.49Å; F305-I371 HydrophobicContact CG-CG1 4.41Å; F305-I371 HydrophobicContact CZ-CG2 3.44Å; F305-I371 VanDerWaalsContact CZ-CG2 3.44Å; F305-P372 HydrophobicContact CE1-CG 4.27Å; F305-I402 CarbonylContact C-O 3.52Å; F305-I402 WeakPolarHBondContact CA-O 3.29Å; F305-I402 HydrophobicContact CD1-CB 3.69Å; F305-I402 HydrophobicContact CD1-CD1 3.88Å; F305-I402 HydrophobicContact CD1-CG1 4.4Å; F305-I402 HydrophobicContact CD1-CG2 3.75Å; F305-I402 HydrophobicContact CE1-CB 4.02Å; F305-I402 HydrophobicContact CE1-CD1 3.35Å; F305-I402 HydrophobicContact CE1-CG1 4.29Å; F305-I402 HydrophobicContact CE1-CG2 3.96Å; F305-I402 HydrophobicContact CZ-CD1 3.93Å; F305-L404 HydrophobicContact CB-CD1 4.17Å; F305-L404 HydrophobicContact CB-CG 4.41Å; F305-L404 HydrophobicContact CD1-CD2 4.19Å |
| 306 | K | 98.2 | Very high | 96.4 | Very high | 67 Ų | 67 | 46.9 Ų | 46.9 | 29% | 0.291 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 159.1 | 178.7 | -70.8 | -154.1 | -179.9 | -173.9 | 0 | 112 | T288 I289 M401 I402 W403 L404 | T288-K306 CarbonylContact O-C 3.54Å; T288-K306 VanDerWaalsContact O-CA 3.26Å; T288-K306 WeakPolarHBondContact O-CA 3.27Å; I289-K306 HydrophobicContact CG1-CD 4.33Å; I289-K306 HydrophobicContact CG1-CG 4.19Å; K306-M401 HydrophobicContact CB-CG 4.11Å; K306-M401 HydrophobicContact CB-SD 3.79Å; K306-M401 HydrophobicContact CD-CG 4.39Å; K306-M401 HydrophobicContact CD-SD 3.68Å; K306-M401 HydrophobicContact CG-CG 4.08Å; K306-M401 HydrophobicContact CG-SD 3.91Å; K306-I402 PolarHBondContact N-O 3.11Å; K306-W403 HydrophobicContact CB-CE3 4.11Å; K306-W403 HydrophobicContact CB-CZ3 4.25Å; K306-W403 CarbonylContact O-C 3.3Å; K306-W403 WeakPolarHBondContact O-CA 3.25Å; K306-L404 PolarHBondContact O-N 3.34Å |
| 307 | G | 97.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.3 | -177.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | T288 W403 | T288-G307 PolarHBondContact N-O 3.08Å; T288-G307 PolarHBondContact O-N 2.82Å; G307-W403 VanDerWaalsContact C-CH2 3.42Å |
| 308 | A | 98.1 | Very high | 96.9 | Very high | 33 Ų | 33 | 35.5 Ų | 35.5 | 27% | 0.273 | 18% | 0.184 | S | C | . | . | S | Bend | trans | -57 | 147.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | T288 I310 W403 | T288-A308 PolarHBondContact OG1-O 2.95Å; A308-I310 PolarHBondContact O-N 3.15Å; A308-W403 HydrophobicContact CB-CZ2 4.44Å |
| 309 | P | 98.1 | Very high | 97.1 | Very high | 42 Ų | 42 | 34.6 Ų | 34.6 | 27% | 0.273 | 17% | 0.174 | S | C | . | . | trans | -62.4 | 128.2 | -176.8 | 25.5 | -34.2 | 0 | 0 | 0 | 111.9 | P257 G334 F335 | P257-P309 HydrophobicContact CG-CB 4.14Å; P309-G334 CarbonylContact C-O 3.56Å; P309-G334 PolarHBondContact O-N 2.95Å; P309-G334 VanDerWaalsContact O-N 3.08Å; P309-F335 HydrophobicContact CB-CB 4.25Å | ||
| 310 | I | 97.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 143.2 | 170.8 | 55.3 | 169.6 | 0 | 0 | 0 | 111.3 | P257 T288 A308 L329 W332 G334 Y369 | P257-I310 VanDerWaalsContact CD-O 3.31Å; P257-I310 WeakPolarHBondContact CD-O 3.39Å; T288-I310 HydrophobicContact CG2-CD1 4.4Å; T288-I310 HydrophobicContact CG2-CG1 3.96Å; T288-I310 VanDerWaalsContact OG1-CG1 3.31Å; T288-I310 WeakPolarHBondContact OG1-CG1 3.46Å; T288-I310 PolarHBondContact OG1-N 2.94Å; A308-I310 PolarHBondContact O-N 3.15Å; I310-L329 HydrophobicContact CD1-CD1 4.16Å; I310-W332 CarbonylContact C-O 3.57Å; I310-W332 WeakPolarHBondContact CA-O 3.29Å; I310-G334 CarbonylContact C-O 3.58Å; I310-G334 VanDerWaalsContact CA-O 3.29Å; I310-G334 WeakPolarHBondContact CA-O 3.35Å; I310-G334 PolarHBondContact N-O 3.32Å; I310-Y369 HydrophobicContact CD1-CE2 4.23Å |
| 311 | G | 96.8 | Very high | 97.2 | Very high | 7 Ų | 7 | 31.3 Ų | 31.3 | 7% | 0.072 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 150.5 | 153.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | S331 W332 G334 | G311-S331 CarbonylContact O-C 3.44Å; G311-S331 WeakPolarHBondContact O-CA 3.46Å; G311-W332 PolarHBondContact N-O 3.21Å; G311-W332 PolarHBondContact O-N 3.32Å; G311-G334 PolarHBondContact N-O 3.01Å |
| 312 | M | 95.3 | Very high | 97.2 | Very high | 11 Ų | 11 | 36.3 Ų | 36.3 | 5% | 0.054 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 141.3 | 176.4 | 177 | -92.1 | -75.7 | 0 | 0 | 109.8 | V254 T256 H315 L329 C330 | V254-M312 HydrophobicContact CB-CE 3.47Å; V254-M312 VanDerWaalsContact CB-CE 3.47Å; V254-M312 HydrophobicContact CG1-CE 4.03Å; V254-M312 HydrophobicContact CG2-CE 3.74Å; T256-M312 HydrophobicContact CG2-CB 4.37Å; M312-H315 WeakPolarHBondContact CE-CE1 3.39Å; M312-L329 HydrophobicContact CE-CD2 4.18Å; M312-L329 HydrophobicContact CG-CB 4.45Å; M312-L329 HydrophobicContact CG-CD1 4.49Å; M312-L329 HydrophobicContact CG-CD2 4.35Å; M312-C330 WeakPolarHBondContact CG-O 3.29Å |
| 313 | F | 96.4 | Very high | 97.3 | Very high | 15 Ų | 15 | 32 Ų | 32 | 7% | 0.066 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | -55.8 | 170.5 | -58.4 | -60.4 | 0 | 0 | 0 | 110.1 | Y240 H242 S243 W332 F337 V338 Y339 | Y240-F313 AromaticContact CE1-CD1 3.97Å; Y240-F313 HydrophobicContact CE1-CD1 3.97Å; Y240-F313 AromaticContact CE1-CE1 3.85Å; Y240-F313 HydrophobicContact CE1-CE1 3.85Å; H242-F313 HydrophobicContact CB-CB 4.42Å; H242-F313 HydrophobicContact CB-CD1 4.28Å; H242-F313 WeakPolarHBondContact CB-O 3.26Å; H242-F313 PolarHBondContact CD2-O 3.01Å; S243-F313 WeakPolarHBondContact CB-O 3.23Å; S243-F313 PolarHBondContact OG-O 2.83Å; F313-W332 AromaticContact CD2-CD1 3.98Å; F313-W332 AromaticContact CD2-NE1 3.62Å; F313-W332 AromaticContact CE2-CD1 3.95Å; F313-W332 AromaticContact CE2-NE1 3.72Å; F313-F337 HydrophobicContact CE1-CE2 4.24Å; F313-V338 HydrophobicContact CE2-CB 3.88Å; F313-V338 HydrophobicContact CE2-CG1 3.93Å; F313-V338 HydrophobicContact CE2-CG2 4.39Å; F313-V338 HydrophobicContact CZ-CB 3.78Å; F313-V338 HydrophobicContact CZ-CG1 4.22Å; F313-Y339 AromaticContact CD1-CE1 3.82Å; F313-Y339 HydrophobicContact CD1-CE1 3.82Å; F313-Y339 AromaticContact CD1-CZ 3.94Å; F313-Y339 AromaticContact CE1-CD1 3.7Å; F313-Y339 HydrophobicContact CE1-CD1 3.7Å; F313-Y339 AromaticContact CE1-CE1 3.06Å; F313-Y339 HydrophobicContact CE1-CE1 3.06Å; F313-Y339 HydrophobicContact CE1-CE2 4.34Å; F313-Y339 AromaticContact CE1-CZ 3.43Å; F313-Y339 VanDerWaalsContact CE1-CZ 3.43Å; F313-Y339 HydrophobicContact CE2-CD1 4.36Å; F313-Y339 AromaticContact CE2-CE1 3.96Å; F313-Y339 HydrophobicContact CE2-CE1 3.96Å; F313-Y339 AromaticContact CZ-CD1 3.42Å; F313-Y339 HydrophobicContact CZ-CD1 3.42Å; F313-Y339 VanDerWaalsContact CZ-CD1 3.42Å; F313-Y339 AromaticContact CZ-CE1 3.13Å; F313-Y339 HydrophobicContact CZ-CE1 3.13Å; F313-Y339 HydrophobicContact CZ-CG 4.49Å |
| 314 | H | 98.8 | Very high | 97.6 | Very high | 11 Ų | 11 | 30.2 Ų | 30.2 | 5% | 0.051 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 126.7 | -169.9 | -53.6 | 109.6 | 0 | 0 | 0 | 113.2 | H181 H242 S243 C330 E418 P420 H527 | H181-H314 AromaticContact CE1-CD2 3.6Å; H181-H314 AromaticContact CE1-NE2 3.63Å; H181-H314 AromaticContact NE2-CD2 3.79Å; H181-H314 AromaticContact NE2-NE2 3.61Å; H242-H314 AromaticContact CD2-CD2 3.73Å; H242-H314 AromaticContact CD2-NE2 3.69Å; H242-H314 AromaticContact NE2-CD2 3.66Å; H242-H314 AromaticContact NE2-CE1 3.95Å; H242-H314 AromaticContact NE2-NE2 3.15Å; H242-H314 PolarHBondContact NE2-NE2 3.01Å; H242-H314 VanDerWaalsContact NE2-NE2 3.15Å; S243-H314 WeakPolarHBondContact OG-CA 3.12Å; H314-C330 HydrophobicContact CB-CB 4.44Å; H314-C330 PolarHBondContact O-N 3.48Å; H314-E418 IonicContact CE1-OE2 3.23Å; H314-E418 IonicContact CG-OE2 2.71Å; H314-E418 IonicContact ND1-OE2 3.5Å; H314-E418 PolarHBondContact ND1-OE2 3.18Å; H314-P420 HydrophobicContact CB-CG 3.5Å; H314-H527 AromaticContact CE1-CE1 3.91Å; H314-H527 AromaticContact NE2-CE1 3.25Å; H314-H527 PolarHBondContact NE2-CE1 3.19Å; H314-H527 VanDerWaalsContact NE2-CE1 3.25Å; H314-H527 AromaticContact NE2-NE2 3.35Å; H314-H527 PolarHBondContact NE2-NE2 3.49Å |
| 315 | H | 98.8 | Very high | 97.8 | Very high | 20 Ų | 20 | 24 Ų | 24 | 9% | 0.093 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 142.9 | 154.4 | -68 | 70.3 | 0 | 0 | 0 | 109.3 | S243 F244 G245 M312 L329 | S243-H315 PolarHBondContact O-CE1 2.86Å; S243-H315 PolarHBondContact OG-N 2.98Å; S243-H315 PolarHBondContact OG-ND1 2.84Å; F244-H315 VanDerWaalsContact C-CE1 3.46Å; F244-H315 WeakPolarHBondContact CA-CE1 3.48Å; G245-H315 PolarHBondContact N-CD2 3.38Å; G245-H315 PolarHBondContact N-NE2 2.76Å; M312-H315 WeakPolarHBondContact CE-CE1 3.39Å; H315-L329 HydrophobicContact CB-CD2 4.18Å; H315-L329 WeakPolarHBondContact CD2-CD2 3.25Å |
| 316 | I | 98.9 | Very high | 97.9 | Very high | 12 Ų | 12 | 24 Ų | 24 | 6% | 0.062 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | -57.6 | 172.6 | -55.9 | -177.9 | 0 | 0 | 0 | 109.1 | D328 V366 F417 P420 I422 Y432 A435 | I316-D328 HydrophobicContact CB-CB 3.98Å; I316-D328 WeakPolarHBondContact CB-O 3.48Å; I316-D328 HydrophobicContact CD1-CB 4.31Å; I316-D328 HydrophobicContact CG1-CB 4.46Å; I316-D328 PolarHBondContact N-O 2.75Å; I316-V366 HydrophobicContact CD1-CG1 3.4Å; I316-V366 HydrophobicContact CD1-CG2 4.44Å; I316-F417 HydrophobicContact CD1-CD1 4.45Å; I316-F417 HydrophobicContact CD1-CE1 4.13Å; I316-P420 HydrophobicContact CB-CB 4.22Å; I316-P420 HydrophobicContact CD1-CB 4.46Å; I316-P420 HydrophobicContact CG1-CB 3.71Å; I316-P420 HydrophobicContact CG1-CG 3.95Å; I316-P420 HydrophobicContact CG2-CB 4.21Å; I316-I422 HydrophobicContact CG2-CG2 4.09Å; I316-Y432 HydrophobicContact CG2-CE2 4.24Å; I316-Y432 VanDerWaalsContact CG2-OH 3.31Å; I316-Y432 WeakPolarHBondContact CG2-OH 3.46Å; I316-A435 HydrophobicContact CG2-CB 3.64Å |
| 317 | N | 98.9 | Very high | 97.9 | Very high | 5 Ų | 5 | 20.8 Ų | 20.8 | 3% | 0.027 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.9 | 165.6 | 175.4 | -161.1 | 12.5 | 0 | 0 | 0 | 110.5 | F327 D328 I422 Y427 G429 K430 Y432 | N317-F327 WeakPolarHBondContact O-CA 3.12Å; N317-D328 PolarHBondContact O-N 3.36Å; N317-I422 HydrophobicContact CB-CD1 4.11Å; N317-Y427 PolarHBondContact ND2-O 2.78Å; N317-G429 PolarHBondContact OD1-N 3.33Å; N317-K430 PolarHBondContact ND2-O 2.78Å; N317-Y432 HydrophobicContact CB-CD1 3.98Å; N317-Y432 HydrophobicContact CB-CE1 3.55Å; N317-Y432 HydrophobicContact CB-CE2 4.19Å; N317-Y432 HydrophobicContact CB-CG 4.5Å; N317-Y432 WeakPolarHBondContact ND2-CD1 3.47Å |
| 318 | T | 98.8 | Very high | 98 | Very high | 2 Ų | 2 | 20.8 Ų | 20.8 | 1% | 0.012 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 133.3 | 176.2 | -61.1 | 0 | 0 | 0 | 0 | 109 | G245 V252 I325 V326 F327 G429 | G245-T318 WeakPolarHBondContact CA-OG1 3.4Å; V252-T318 HydrophobicContact CG2-CG2 3.89Å; T318-I325 HydrophobicContact CG2-CG2 3.7Å; T318-V326 CarbonylContact C-O 3.4Å; T318-V326 WeakPolarHBondContact CA-O 3.27Å; T318-F327 HydrophobicContact CG2-CB 3.99Å; T318-F327 VanDerWaalsContact OG1-CB 3.31Å; T318-F327 WeakPolarHBondContact OG1-CB 3.33Å; T318-G429 CarbonylContact O-C 3.59Å; T318-G429 WeakPolarHBondContact O-CA 3.47Å |
| 319 | Y | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 168.1 | -178.6 | 67 | -89.5 | 0 | 0 | 0 | 112.1 | D321 I325 V326 Y389 N431 Y432 | Y319-D321 HydrophobicContact CD2-CB 4.39Å; Y319-D321 HydrophobicContact CE2-CB 4.08Å; Y319-I325 CarbonylContact O-C 3.54Å; Y319-I325 WeakPolarHBondContact O-CA 3.3Å; Y319-V326 HydrophobicContact CD1-CB 4.21Å; Y319-V326 HydrophobicContact CD2-CB 4.28Å; Y319-V326 HydrophobicContact CE1-CB 3.74Å; Y319-V326 HydrophobicContact CE1-CG1 3.72Å; Y319-V326 HydrophobicContact CE2-CB 3.82Å; Y319-V326 HydrophobicContact CE2-CG1 4.39Å; Y319-V326 HydrophobicContact CE2-CG2 3.9Å; Y319-V326 HydrophobicContact CG-CB 4.46Å; Y319-V326 PolarHBondContact N-O 3.4Å; Y319-V326 PolarHBondContact O-N 3.31Å; Y319-V326 WeakPolarHBondContact OH-CG1 3.44Å; Y319-Y389 PolarHBondContact OH-OH 2.98Å; Y319-N431 HydrophobicContact CD2-CB 3.77Å; Y319-N431 HydrophobicContact CE2-CB 3.93Å; Y319-N431 HydrophobicContact CG-CB 4.28Å; Y319-Y432 HydrophobicContact CD1-CD1 4.17Å; Y319-Y432 HydrophobicContact CD1-CE1 4.37Å; Y319-Y432 HydrophobicContact CE1-CD1 4.11Å; Y319-Y432 HydrophobicContact CE1-CE1 4.14Å |
| 320 | E | 98.5 | Very high | 98 | Very high | 60 Ų | 60 | 17.2 Ų | 17.2 | 28% | 0.28 | 9% | 0.093 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 138.1 | 178.7 | -64.5 | 164.9 | -122.6 | 0 | 0 | 110.3 | S247 E248 N249 Y250 F324 | S247-E320 PolarHBondContact OG-OE1 3.44Å; E248-E320 PolarHBondContact N-OE1 3.25Å; N249-E320 VanDerWaalsContact CB-OE1 3.29Å; N249-E320 WeakPolarHBondContact CB-OE1 3.35Å; N249-E320 PolarHBondContact N-OE1 3.08Å; N249-E320 PolarHBondContact ND2-OE1 2.98Å; N249-E320 VanDerWaalsContact ND2-OE1 3.12Å; N249-E320 PolarHBondContact ND2-OE2 3.27Å; Y250-E320 HydrophobicContact CD2-CG 3.95Å; Y250-E320 HydrophobicContact CE2-CG 4.3Å; Y250-E320 WeakPolarHBondContact CE2-OE2 3.31Å; E320-F324 WeakPolarHBondContact CA-O 3.35Å |
| 321 | D | 97.8 | Very high | 98 | Very high | 28 Ų | 28 | 17.3 Ų | 17.3 | 15% | 0.15 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 124 | 171.8 | -167.3 | -5 | 0 | 0 | 0 | 110.3 | Y319 G323 F324 L387 Y389 | Y319-D321 HydrophobicContact CD2-CB 4.39Å; Y319-D321 HydrophobicContact CE2-CB 4.08Å; D321-G323 VanDerWaalsContact C-N 3.3Å; D321-G323 PolarHBondContact O-N 3.12Å; D321-G323 VanDerWaalsContact O-N 3.1Å; D321-F324 PolarHBondContact N-O 2.88Å; D321-F324 WeakPolarHBondContact O-CB 3.4Å; D321-F324 WeakPolarHBondContact O-CD2 3.48Å; D321-F324 PolarHBondContact O-N 3.27Å; D321-L387 HydrophobicContact CB-CD2 4.48Å; D321-Y389 WeakPolarHBondContact OD2-CE1 3.47Å; D321-Y389 PolarHBondContact OD2-OH 3.26Å |
| 322 | Q | 95.8 | Very high | 98.1 | Very high | 141 Ų | 141 | 17.5 Ų | 17.5 | 66% | 0.659 | 9% | 0.092 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 46.8 | 43 | 171.6 | -70.2 | 162.7 | 69.3 | 0 | 0 | 115.4 | F324 L387 | Q322-F324 VanDerWaalsContact O-CD2 3.23Å; Q322-F324 WeakPolarHBondContact O-CD2 3.29Å; Q322-F324 WeakPolarHBondContact O-CE2 3.29Å; Q322-L387 HydrophobicContact CB-CD2 4Å |
| 323 | G | 96 | Very high | 98.2 | Very high | 34 Ų | 34 | 20.7 Ų | 20.7 | 35% | 0.351 | 11% | 0.105 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 84 | 12.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | D321 L373 | D321-G323 VanDerWaalsContact C-N 3.3Å; D321-G323 PolarHBondContact O-N 3.12Å; D321-G323 VanDerWaalsContact O-N 3.1Å; G323-L373 VanDerWaalsContact O-CB 3.24Å; G323-L373 WeakPolarHBondContact O-CB 3.31Å; G323-L373 WeakPolarHBondContact O-CG 3.48Å; G323-L373 PolarHBondContact O-N 2.66Å |
| 324 | F | 98.4 | Very high | 98.2 | Very high | 15 Ų | 15 | 21.2 Ų | 21.2 | 7% | 0.066 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 150.9 | 174.8 | -58.3 | -90.6 | 0 | 0 | 0 | 111.1 | E320 D321 Q322 V370 I371 P372 L384 S386 L387 | E320-F324 WeakPolarHBondContact CA-O 3.35Å; D321-F324 PolarHBondContact N-O 2.88Å; D321-F324 WeakPolarHBondContact O-CB 3.4Å; D321-F324 WeakPolarHBondContact O-CD2 3.48Å; D321-F324 PolarHBondContact O-N 3.27Å; Q322-F324 VanDerWaalsContact O-CD2 3.23Å; Q322-F324 WeakPolarHBondContact O-CD2 3.29Å; Q322-F324 WeakPolarHBondContact O-CE2 3.29Å; F324-V370 HydrophobicContact CB-CG1 3.78Å; F324-V370 HydrophobicContact CD1-CG1 3.72Å; F324-V370 HydrophobicContact CG-CG1 3.98Å; F324-I371 CarbonylContact C-O 3.53Å; F324-I371 VanDerWaalsContact CA-O 3.25Å; F324-I371 WeakPolarHBondContact CA-O 3.35Å; F324-P372 HydrophobicContact CD1-CB 4.01Å; F324-P372 HydrophobicContact CE1-CB 3.82Å; F324-L384 VanDerWaalsContact CE1-O 3.29Å; F324-L384 WeakPolarHBondContact CE1-O 3.16Å; F324-L384 WeakPolarHBondContact CZ-O 3.23Å; F324-S386 WeakPolarHBondContact CE2-OG 3.22Å; F324-S386 VanDerWaalsContact CZ-OG 3.31Å; F324-S386 WeakPolarHBondContact CZ-OG 3.09Å; F324-L387 HydrophobicContact CB-CD1 4Å; F324-L387 HydrophobicContact CD2-CD1 4.03Å; F324-L387 HydrophobicContact CD2-CD2 3.87Å; F324-L387 HydrophobicContact CD2-CG 3.71Å; F324-L387 HydrophobicContact CE2-CD2 4.32Å; F324-L387 HydrophobicContact CE2-CG 4.12Å; F324-L387 HydrophobicContact CG-CD1 4.05Å; F324-L387 HydrophobicContact CG-CG 4.17Å |
| 325 | I | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 123.4 | 162.4 | -57.9 | 166.3 | 0 | 0 | 0 | 108 | Y250 V252 V292 T318 Y319 F327 V370 I371 L373 | Y250-I325 HydrophobicContact CD1-CD1 3.99Å; Y250-I325 HydrophobicContact CD2-CD1 4.03Å; Y250-I325 HydrophobicContact CD2-CG1 4.15Å; Y250-I325 HydrophobicContact CG-CD1 3.62Å; Y250-I325 HydrophobicContact CG-CG1 4.25Å; V252-I325 HydrophobicContact CG2-CD1 4.39Å; V252-I325 HydrophobicContact CG2-CG2 3.71Å; V292-I325 HydrophobicContact CG1-CD1 3.43Å; V292-I325 VanDerWaalsContact CG1-CD1 3.43Å; V292-I325 HydrophobicContact CG2-CD1 4.31Å; T318-I325 HydrophobicContact CG2-CG2 3.7Å; Y319-I325 CarbonylContact O-C 3.54Å; Y319-I325 WeakPolarHBondContact O-CA 3.3Å; I325-F327 HydrophobicContact CG2-CD1 4.46Å; I325-V370 CarbonylContact O-C 3.52Å; I325-V370 WeakPolarHBondContact O-CA 3.34Å; I325-I371 HydrophobicContact CB-CB 4.4Å; I325-I371 PolarHBondContact N-O 2.84Å; I325-I371 PolarHBondContact O-N 3.17Å; I325-L373 HydrophobicContact CD1-CD2 3.63Å; I325-L373 HydrophobicContact CD1-CG 4.5Å; I325-L373 HydrophobicContact CG1-CD1 4.3Å; I325-L373 HydrophobicContact CG1-CD2 3.86Å; I325-L373 HydrophobicContact CG1-CG 4.2Å |
| 326 | V | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 130.1 | 174.3 | -173.6 | 0 | 0 | 0 | 0 | 108.6 | T318 Y319 R368 V370 L387 | T318-V326 CarbonylContact C-O 3.4Å; T318-V326 WeakPolarHBondContact CA-O 3.27Å; Y319-V326 HydrophobicContact CD1-CB 4.21Å; Y319-V326 HydrophobicContact CD2-CB 4.28Å; Y319-V326 HydrophobicContact CE1-CB 3.74Å; Y319-V326 HydrophobicContact CE1-CG1 3.72Å; Y319-V326 HydrophobicContact CE2-CB 3.82Å; Y319-V326 HydrophobicContact CE2-CG1 4.39Å; Y319-V326 HydrophobicContact CE2-CG2 3.9Å; Y319-V326 HydrophobicContact CG-CB 4.46Å; Y319-V326 PolarHBondContact N-O 3.4Å; Y319-V326 PolarHBondContact O-N 3.31Å; Y319-V326 WeakPolarHBondContact OH-CG1 3.44Å; V326-R368 HydrophobicContact CG1-CG 3.8Å; V326-V370 HydrophobicContact CG1-CG2 4.29Å; V326-V370 HydrophobicContact CG2-CG1 4.41Å; V326-V370 HydrophobicContact CG2-CG2 4.22Å; V326-L387 HydrophobicContact CG2-CD1 3.92Å |
| 327 | F | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 143 | 176.5 | 60.6 | -78.9 | 0 | 0 | 0 | 111.7 | V252 V254 F290 N317 T318 I325 L329 R368 Y369 I371 | V252-F327 HydrophobicContact CG1-CD1 4.22Å; V252-F327 HydrophobicContact CG1-CD2 4.35Å; V252-F327 HydrophobicContact CG1-CE1 4.18Å; V252-F327 HydrophobicContact CG1-CE2 4.3Å; V252-F327 HydrophobicContact CG1-CG 4.3Å; V252-F327 HydrophobicContact CG1-CZ 4.21Å; V254-F327 HydrophobicContact CG2-CE2 4.21Å; F290-F327 AromaticContact CD1-CE2 3.88Å; F290-F327 HydrophobicContact CD1-CE2 3.88Å; F290-F327 AromaticContact CD1-CZ 3.56Å; F290-F327 HydrophobicContact CD1-CZ 3.56Å; F290-F327 AromaticContact CE1-CE2 3.99Å; F290-F327 HydrophobicContact CE1-CE2 3.99Å; F290-F327 AromaticContact CE1-CZ 3.93Å; F290-F327 HydrophobicContact CE1-CZ 3.93Å; F290-F327 HydrophobicContact CG-CZ 4.37Å; N317-F327 WeakPolarHBondContact O-CA 3.12Å; T318-F327 HydrophobicContact CG2-CB 3.99Å; T318-F327 VanDerWaalsContact OG1-CB 3.31Å; T318-F327 WeakPolarHBondContact OG1-CB 3.33Å; I325-F327 HydrophobicContact CG2-CD1 4.46Å; F327-L329 HydrophobicContact CD2-CD1 4.14Å; F327-L329 HydrophobicContact CD2-CD2 4Å; F327-L329 HydrophobicContact CD2-CG 3.92Å; F327-L329 HydrophobicContact CE2-CD1 3.91Å; F327-L329 HydrophobicContact CE2-CG 4.22Å; F327-R368 WeakPolarHBondContact O-CA 3.17Å; F327-Y369 AromaticContact CE2-CD2 3.98Å; F327-Y369 HydrophobicContact CE2-CD2 3.98Å; F327-Y369 HydrophobicContact CE2-CG 4.02Å; F327-Y369 HydrophobicContact CZ-CD2 4.36Å; F327-Y369 AromaticContact CZ-CG 3.93Å; F327-Y369 HydrophobicContact CZ-CG 3.93Å; F327-Y369 PolarHBondContact N-O 3.49Å; F327-Y369 PolarHBondContact O-N 3.15Å; F327-I371 HydrophobicContact CE1-CD1 3.54Å; F327-I371 HydrophobicContact CE1-CG1 3.87Å; F327-I371 HydrophobicContact CZ-CD1 4.07Å |
| 328 | D | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 135.7 | -176 | -61.7 | -28.3 | 0 | 0 | 0 | 109.3 | I316 N317 R367 R368 L409 Y432 | I316-D328 HydrophobicContact CB-CB 3.98Å; I316-D328 WeakPolarHBondContact CB-O 3.48Å; I316-D328 HydrophobicContact CD1-CB 4.31Å; I316-D328 HydrophobicContact CG1-CB 4.46Å; I316-D328 PolarHBondContact N-O 2.75Å; N317-D328 PolarHBondContact O-N 3.36Å; D328-R367 CarbonylContact C-O 3.58Å; D328-R367 WeakPolarHBondContact CA-O 3.36Å; D328-R368 WeakPolarHBondContact OD1-CA 3.31Å; D328-R368 WeakPolarHBondContact OD1-CB 3.37Å; D328-R368 VanDerWaalsContact OD1-CG 3.26Å; D328-R368 WeakPolarHBondContact OD1-CG 3.36Å; D328-R368 IonicContact OD1-CZ 3.24Å; D328-R368 IonicContact OD1-NE 3.93Å; D328-R368 PolarHBondContact OD1-NE 2.8Å; D328-R368 IonicContact OD1-NH2 3.78Å; D328-R368 PolarHBondContact OD1-NH2 2.58Å; D328-R368 IonicContact OD2-CZ 3.4Å; D328-R368 IonicContact OD2-NE 3.94Å; D328-R368 IonicContact OD2-NH2 2.73Å; D328-R368 PolarHBondContact OD2-NH2 3.29Å; D328-L409 HydrophobicContact CB-CD1 4.36Å; D328-Y432 WeakPolarHBondContact CB-OH 3.44Å; D328-Y432 VanDerWaalsContact OD2-CE1 3.25Å; D328-Y432 WeakPolarHBondContact OD2-CE1 3.37Å; D328-Y432 VanDerWaalsContact OD2-CZ 3.29Å; D328-Y432 PolarHBondContact OD2-OH 2.96Å |
| 329 | L | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 142.2 | -172.7 | -59.2 | 179.6 | 0 | 0 | 0 | 112 | V254 I310 M312 H315 F327 V366 R367 Y369 | V254-L329 HydrophobicContact CG2-CD1 4.18Å; I310-L329 HydrophobicContact CD1-CD1 4.16Å; M312-L329 HydrophobicContact CE-CD2 4.18Å; M312-L329 HydrophobicContact CG-CB 4.45Å; M312-L329 HydrophobicContact CG-CD1 4.49Å; M312-L329 HydrophobicContact CG-CD2 4.35Å; H315-L329 HydrophobicContact CB-CD2 4.18Å; H315-L329 WeakPolarHBondContact CD2-CD2 3.25Å; F327-L329 HydrophobicContact CD2-CD1 4.14Å; F327-L329 HydrophobicContact CD2-CD2 4Å; F327-L329 HydrophobicContact CD2-CG 3.92Å; F327-L329 HydrophobicContact CE2-CD1 3.91Å; F327-L329 HydrophobicContact CE2-CG 4.22Å; L329-V366 VanDerWaalsContact O-CA 3.31Å; L329-V366 WeakPolarHBondContact O-CA 3.33Å; L329-R367 PolarHBondContact N-O 3.04Å; L329-R367 PolarHBondContact O-N 3.04Å; L329-Y369 HydrophobicContact CD1-CD2 4.04Å; L329-Y369 HydrophobicContact CD1-CE2 4.1Å |
| 330 | C | 98.8 | Very high | 97.5 | Very high | 1 Ų | 1 | 29.6 Ų | 29.6 | 1% | 0.007 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 109.8 | 156.5 | -62.3 | 0 | 0 | 0 | 0 | 108.3 | M312 H314 F417 | M312-C330 WeakPolarHBondContact CG-O 3.29Å; H314-C330 HydrophobicContact CB-CB 4.44Å; H314-C330 PolarHBondContact O-N 3.48Å; C330-F417 PolarHBondContact SG-O 2.91Å |
| 331 | S | 98.2 | Very high | 97.4 | Very high | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.007 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 158.2 | -172.3 | 73.7 | 0 | 0 | 0 | 0 | 112.7 | G311 P364 E365 R367 | G311-S331 CarbonylContact O-C 3.44Å; G311-S331 WeakPolarHBondContact O-CA 3.46Å; S331-P364 CarbonylContact O-C 3.4Å; S331-P364 VanDerWaalsContact O-CA 3.31Å; S331-P364 WeakPolarHBondContact O-CA 3.45Å; S331-E365 WeakPolarHBondContact CA-O 3.4Å; S331-E365 PolarHBondContact N-O 2.86Å; S331-E365 PolarHBondContact O-N 3.37Å; S331-E365 VanDerWaalsContact O-O 3.13Å; S331-E365 PolarHBondContact OG-O 2.76Å; S331-R367 WeakPolarHBondContact OG-CD 3.43Å; S331-R367 WeakPolarHBondContact OG-CG 3.4Å |
| 332 | W | 98.4 | Very high | 97.4 | Very high | 11 Ų | 11 | 27.6 Ų | 27.6 | 4% | 0.042 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 117.8 | 178.8 | -64.8 | 86.2 | 0 | 0 | 0 | 108.8 | I310 G311 F313 G334 V338 P362 P364 A416 E418 F443 | I310-W332 CarbonylContact C-O 3.57Å; I310-W332 WeakPolarHBondContact CA-O 3.29Å; G311-W332 PolarHBondContact N-O 3.21Å; G311-W332 PolarHBondContact O-N 3.32Å; F313-W332 AromaticContact CD2-CD1 3.98Å; F313-W332 AromaticContact CD2-NE1 3.62Å; F313-W332 AromaticContact CE2-CD1 3.95Å; F313-W332 AromaticContact CE2-NE1 3.72Å; W332-G334 PolarHBondContact O-N 3.37Å; W332-V338 HydrophobicContact CB-CG2 3.64Å; W332-V338 HydrophobicContact CD2-CG1 4.18Å; W332-V338 HydrophobicContact CD2-CG2 3.8Å; W332-V338 HydrophobicContact CE3-CG1 4.27Å; W332-V338 HydrophobicContact CE3-CG2 4.09Å; W332-V338 HydrophobicContact CG-CG2 3.6Å; W332-V338 HydrophobicContact CZ2-CG1 4.47Å; W332-V338 HydrophobicContact CZ3-CG1 4.46Å; W332-P362 HydrophobicContact CB-CB 3.81Å; W332-P362 HydrophobicContact CE3-CB 4.31Å; W332-P364 HydrophobicContact CD2-CB 4.13Å; W332-P364 HydrophobicContact CE3-CB 3.84Å; W332-P364 HydrophobicContact CE3-CG 4.28Å; W332-P364 HydrophobicContact CH2-CB 3.98Å; W332-P364 HydrophobicContact CH2-CG 4.21Å; W332-P364 HydrophobicContact CZ2-CB 4.25Å; W332-P364 HydrophobicContact CZ3-CB 3.76Å; W332-P364 HydrophobicContact CZ3-CG 3.86Å; W332-A416 HydrophobicContact CH2-CB 3.83Å; W332-A416 HydrophobicContact CZ2-CB 3.92Å; W332-E418 HydrophobicContact CZ2-CG 3.94Å; W332-E418 PolarHBondContact NE1-OE1 3.41Å; W332-F443 AromaticContact CH2-CD1 3.98Å; W332-F443 HydrophobicContact CH2-CD1 3.98Å; W332-F443 AromaticContact CH2-CE1 3.53Å; W332-F443 HydrophobicContact CH2-CE1 3.53Å; W332-F443 HydrophobicContact CH2-CZ 4.48Å; W332-F443 HydrophobicContact CZ2-CE1 4.39Å; W332-F443 HydrophobicContact CZ3-CD1 4.46Å; W332-F443 AromaticContact CZ3-CE1 3.62Å; W332-F443 HydrophobicContact CZ3-CE1 3.62Å; W332-F443 HydrophobicContact CZ3-CZ 4.16Å |
| 333 | K | 97.5 | Very high | 97.5 | Very high | 79 Ų | 79 | 24.1 Ų | 24.1 | 34% | 0.343 | 13% | 0.125 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 127.2 | -173.3 | -64.3 | -173.6 | -170 | -168.6 | 0 | 111.7 | P362 Q363 E365 | K333-P362 WeakPolarHBondContact O-CA 3.17Å; K333-P362 WeakPolarHBondContact O-CB 3.48Å; K333-Q363 HydrophobicContact CB-CB 4.4Å; K333-Q363 HydrophobicContact CD-CB 4.36Å; K333-Q363 HydrophobicContact CD-CG 4.42Å; K333-Q363 WeakPolarHBondContact CG-O 2.97Å; K333-Q363 PolarHBondContact N-O 2.84Å; K333-E365 WeakPolarHBondContact CE-OE1 3.39Å; K333-E365 WeakPolarHBondContact CE-OE2 3.42Å; K333-E365 VanDerWaalsContact NZ-CD 3.35Å; K333-E365 IonicContact NZ-OE1 3.02Å; K333-E365 PolarHBondContact NZ-OE1 3.38Å; K333-E365 IonicContact NZ-OE2 3.21Å; K333-E365 PolarHBondContact NZ-OE2 3.02Å |
| 334 | G | 95.9 | Very high | 97.6 | Very high | 26 Ų | 26 | 22.6 Ų | 22.6 | 27% | 0.268 | 11% | 0.108 | S | C | . | . | S | Bend | trans | 110.5 | -174.6 | 178 | 0 | 0 | 0 | 0 | 0 | 112.4 | P309 I310 G311 W332 | P309-G334 CarbonylContact C-O 3.56Å; P309-G334 PolarHBondContact O-N 2.95Å; P309-G334 VanDerWaalsContact O-N 3.08Å; I310-G334 CarbonylContact C-O 3.58Å; I310-G334 VanDerWaalsContact CA-O 3.29Å; I310-G334 WeakPolarHBondContact CA-O 3.35Å; I310-G334 PolarHBondContact N-O 3.32Å; G311-G334 PolarHBondContact N-O 3.01Å; W332-G334 PolarHBondContact O-N 3.37Å |
| 335 | F | 95.3 | Very high | 97.6 | Very high | 71 Ų | 71 | 25.6 Ų | 25.6 | 31% | 0.311 | 14% | 0.136 | S | C | . | . | S | Bend | trans | -107.9 | -10.9 | -177.3 | 52.4 | -104.1 | 0 | 0 | 0 | 113.6 | P257 S282 E284 P309 | P257-F335 HydrophobicContact CB-CB 3.93Å; P257-F335 HydrophobicContact CG-CB 3.59Å; S282-F335 VanDerWaalsContact CB-O 3.25Å; S282-F335 WeakPolarHBondContact CB-O 3.13Å; S282-F335 PolarHBondContact OG-O 3.46Å; E284-F335 HydrophobicContact CB-CD1 4.49Å; E284-F335 HydrophobicContact CB-CE1 4.29Å; E284-F335 HydrophobicContact CB-CZ 4.37Å; E284-F335 HydrophobicContact CG-CD1 4.5Å; E284-F335 HydrophobicContact CG-CD2 4.12Å; E284-F335 HydrophobicContact CG-CE1 4.15Å; E284-F335 HydrophobicContact CG-CE2 3.74Å; E284-F335 HydrophobicContact CG-CG 4.48Å; E284-F335 HydrophobicContact CG-CZ 3.75Å; P309-F335 HydrophobicContact CB-CB 4.25Å |
| 336 | E | 95.5 | Very high | 97.5 | Very high | 66 Ų | 66 | 28.7 Ų | 28.7 | 31% | 0.308 | 15% | 0.153 | S | C | . | . | S | Bend | trans | -65.7 | 137.3 | -179.3 | -169.1 | -173.6 | 174.6 | 0 | 0 | 110.5 | V338 Y341 P362 | E336-V338 PolarHBondContact O-N 2.85Å; E336-Y341 VanDerWaalsContact CD-OH 3.26Å; E336-Y341 WeakPolarHBondContact OE1-CE2 3.22Å; E336-Y341 PolarHBondContact OE1-OH 2.9Å; E336-Y341 PolarHBondContact OE2-OH 3.12Å; E336-P362 HydrophobicContact CB-CG 4.1Å |
| 337 | F | 96.6 | Very high | 97.4 | Very high | 8 Ų | 8 | 28.9 Ų | 28.9 | 4% | 0.035 | 15% | 0.154 | C | C | . | . | trans | -73 | 116.2 | -179.9 | -169.3 | -156.3 | 0 | 0 | 0 | 111.3 | F103 Y240 V258 M277 F280 F313 Y339 N340 | F103-F337 HydrophobicContact CZ-CE1 4.09Å; F103-F337 HydrophobicContact CZ-CZ 4.37Å; Y240-F337 AromaticContact CD1-CE2 3.91Å; Y240-F337 HydrophobicContact CD1-CE2 3.91Å; Y240-F337 HydrophobicContact CD1-CZ 4.23Å; Y240-F337 HydrophobicContact CE1-CE2 4.13Å; Y240-F337 HydrophobicContact CE1-CZ 4.34Å; V258-F337 HydrophobicContact CB-CD2 4.45Å; V258-F337 HydrophobicContact CG1-CB 4.12Å; V258-F337 HydrophobicContact CG1-CD1 4.21Å; V258-F337 HydrophobicContact CG1-CD2 3.67Å; V258-F337 HydrophobicContact CG1-CE2 4.03Å; V258-F337 HydrophobicContact CG1-CG 3.76Å; V258-F337 HydrophobicContact CG1-CZ 4.43Å; V258-F337 HydrophobicContact CG2-CB 4.17Å; V258-F337 HydrophobicContact CG2-CD2 4.05Å; V258-F337 HydrophobicContact CG2-CG 4.39Å; M277-F337 HydrophobicContact CE-CD1 3.69Å; M277-F337 HydrophobicContact CE-CE1 4.07Å; M277-F337 HydrophobicContact SD-CD1 3.92Å; M277-F337 HydrophobicContact SD-CE1 3.72Å; F280-F337 HydrophobicContact CB-CD1 3.85Å; F280-F337 HydrophobicContact CB-CE1 4.02Å; F280-F337 HydrophobicContact CD1-CD1 4.23Å; F280-F337 AromaticContact CD1-CE1 3.74Å; F280-F337 HydrophobicContact CD1-CE1 3.74Å; F280-F337 HydrophobicContact CD1-CZ 4.14Å; F280-F337 HydrophobicContact CD2-CD1 4.45Å; F280-F337 AromaticContact CD2-CE1 3.79Å; F280-F337 HydrophobicContact CD2-CE1 3.79Å; F280-F337 HydrophobicContact CE1-CE1 4.09Å; F280-F337 HydrophobicContact CE1-CZ 4.12Å; F280-F337 HydrophobicContact CE2-CE1 4.15Å; F280-F337 AromaticContact CG-CD1 3.92Å; F280-F337 HydrophobicContact CG-CD1 3.92Å; F280-F337 AromaticContact CG-CE1 3.56Å; F280-F337 HydrophobicContact CG-CE1 3.56Å; F280-F337 HydrophobicContact CG-CZ 4.38Å; F280-F337 HydrophobicContact CZ-CE1 4.28Å; F280-F337 HydrophobicContact CZ-CZ 4.37Å; F313-F337 HydrophobicContact CE1-CE2 4.24Å; F337-Y339 HydrophobicContact CD2-CG 4.43Å; F337-Y339 AromaticContact CE1-CD2 3.89Å; F337-Y339 HydrophobicContact CE1-CD2 3.89Å; F337-Y339 HydrophobicContact CE1-CG 4.09Å; F337-Y339 HydrophobicContact CE2-CD1 4.22Å; F337-Y339 AromaticContact CE2-CD2 3.79Å; F337-Y339 HydrophobicContact CE2-CD2 3.79Å; F337-Y339 HydrophobicContact CE2-CE2 4.29Å; F337-Y339 AromaticContact CE2-CG 3.73Å; F337-Y339 HydrophobicContact CE2-CG 3.73Å; F337-Y339 HydrophobicContact CZ-CD1 4.44Å; F337-Y339 AromaticContact CZ-CD2 3.22Å; F337-Y339 HydrophobicContact CZ-CD2 3.22Å; F337-Y339 AromaticContact CZ-CE2 3.88Å; F337-Y339 HydrophobicContact CZ-CE2 3.88Å; F337-Y339 AromaticContact CZ-CG 3.54Å; F337-Y339 HydrophobicContact CZ-CG 3.54Å; F337-Y339 PolarHBondContact O-N 3.02Å; F337-Y339 VanDerWaalsContact O-N 3.17Å; F337-N340 VanDerWaalsContact O-CB 3.29Å; F337-N340 WeakPolarHBondContact O-CB 3.37Å; F337-N340 PolarHBondContact O-N 3.34Å; F337-N340 PolarHBondContact O-ND2 3.32Å | ||
| 338 | V | 97.3 | Very high | 97.3 | Very high | 4 Ų | 4 | 32.4 Ų | 32.4 | 2% | 0.024 | 17% | 0.167 | C | C | . | . | G | 310 helix | trans | -61.9 | -26.1 | -175.6 | 174.4 | 0 | 0 | 0 | 0 | 112.7 | F313 W332 E336 N340 Y341 P362 F443 | F313-V338 HydrophobicContact CE2-CB 3.88Å; F313-V338 HydrophobicContact CE2-CG1 3.93Å; F313-V338 HydrophobicContact CE2-CG2 4.39Å; F313-V338 HydrophobicContact CZ-CB 3.78Å; F313-V338 HydrophobicContact CZ-CG1 4.22Å; W332-V338 HydrophobicContact CB-CG2 3.64Å; W332-V338 HydrophobicContact CD2-CG1 4.18Å; W332-V338 HydrophobicContact CD2-CG2 3.8Å; W332-V338 HydrophobicContact CE3-CG1 4.27Å; W332-V338 HydrophobicContact CE3-CG2 4.09Å; W332-V338 HydrophobicContact CG-CG2 3.6Å; W332-V338 HydrophobicContact CZ2-CG1 4.47Å; W332-V338 HydrophobicContact CZ3-CG1 4.46Å; E336-V338 PolarHBondContact O-N 2.85Å; V338-N340 PolarHBondContact O-N 3.2Å; V338-N340 VanDerWaalsContact O-N 3.11Å; V338-Y341 WeakPolarHBondContact O-CD2 2.89Å; V338-Y341 PolarHBondContact O-N 2.94Å; V338-P362 HydrophobicContact CG2-CB 3.94Å; V338-P362 HydrophobicContact CG2-CG 3.81Å; V338-F443 HydrophobicContact CG1-CE1 3.63Å; V338-F443 HydrophobicContact CG1-CZ 4.15Å |
| 339 | Y | 97.3 | Very high | 97.3 | Very high | 10 Ų | 10 | 33.3 Ų | 33.3 | 4% | 0.039 | 17% | 0.174 | C | C | . | . | G | 310 helix | trans | -62.7 | -18.7 | 176.8 | -71.5 | 4.3 | 0 | 0 | 0 | 112.9 | H59 F61 F103 Y240 H242 F313 F337 Y341 L342 | H59-Y339 PolarHBondContact NE2-O 3.09Å; F61-Y339 HydrophobicContact CD2-CD2 4.02Å; F61-Y339 AromaticContact CD2-CE2 3.87Å; F61-Y339 HydrophobicContact CD2-CE2 3.87Å; F61-Y339 AromaticContact CE2-CD1 3.79Å; F61-Y339 HydrophobicContact CE2-CD1 3.79Å; F61-Y339 AromaticContact CE2-CD2 3.69Å; F61-Y339 HydrophobicContact CE2-CD2 3.69Å; F61-Y339 AromaticContact CE2-CE1 3.48Å; F61-Y339 HydrophobicContact CE2-CE1 3.48Å; F61-Y339 VanDerWaalsContact CE2-CE1 3.48Å; F61-Y339 AromaticContact CE2-CE2 3.44Å; F61-Y339 HydrophobicContact CE2-CE2 3.44Å; F61-Y339 VanDerWaalsContact CE2-CE2 3.44Å; F61-Y339 AromaticContact CE2-CG 3.89Å; F61-Y339 HydrophobicContact CE2-CG 3.89Å; F61-Y339 AromaticContact CE2-CZ 3.34Å; F61-Y339 HydrophobicContact CZ-CD1 4.44Å; F61-Y339 AromaticContact CZ-CE1 3.8Å; F61-Y339 HydrophobicContact CZ-CE1 3.8Å; F61-Y339 HydrophobicContact CZ-CE2 4.24Å; F61-Y339 AromaticContact CZ-CZ 3.72Å; F103-Y339 AromaticContact CE1-CD2 3.84Å; F103-Y339 HydrophobicContact CE1-CD2 3.84Å; F103-Y339 HydrophobicContact CE2-CD2 4.29Å; F103-Y339 AromaticContact CZ-CD2 3.53Å; F103-Y339 HydrophobicContact CZ-CD2 3.53Å; F103-Y339 HydrophobicContact CZ-CE2 4.28Å; F103-Y339 HydrophobicContact CZ-CG 4.49Å; Y240-Y339 HydrophobicContact CE1-CE2 4.22Å; Y240-Y339 AromaticContact CZ-CE2 3.98Å; Y240-Y339 WeakPolarHBondContact OH-CE2 3.27Å; Y240-Y339 PolarHBondContact OH-OH 3.37Å; H242-Y339 PolarHBondContact ND1-OH 2.96Å; F313-Y339 AromaticContact CD1-CE1 3.82Å; F313-Y339 HydrophobicContact CD1-CE1 3.82Å; F313-Y339 AromaticContact CD1-CZ 3.94Å; F313-Y339 AromaticContact CE1-CD1 3.7Å; F313-Y339 HydrophobicContact CE1-CD1 3.7Å; F313-Y339 AromaticContact CE1-CE1 3.06Å; F313-Y339 HydrophobicContact CE1-CE1 3.06Å; F313-Y339 HydrophobicContact CE1-CE2 4.34Å; F313-Y339 AromaticContact CE1-CZ 3.43Å; F313-Y339 VanDerWaalsContact CE1-CZ 3.43Å; F313-Y339 HydrophobicContact CE2-CD1 4.36Å; F313-Y339 AromaticContact CE2-CE1 3.96Å; F313-Y339 HydrophobicContact CE2-CE1 3.96Å; F313-Y339 AromaticContact CZ-CD1 3.42Å; F313-Y339 HydrophobicContact CZ-CD1 3.42Å; F313-Y339 VanDerWaalsContact CZ-CD1 3.42Å; F313-Y339 AromaticContact CZ-CE1 3.13Å; F313-Y339 HydrophobicContact CZ-CE1 3.13Å; F313-Y339 HydrophobicContact CZ-CG 4.49Å; F337-Y339 HydrophobicContact CD2-CG 4.43Å; F337-Y339 AromaticContact CE1-CD2 3.89Å; F337-Y339 HydrophobicContact CE1-CD2 3.89Å; F337-Y339 HydrophobicContact CE1-CG 4.09Å; F337-Y339 HydrophobicContact CE2-CD1 4.22Å; F337-Y339 AromaticContact CE2-CD2 3.79Å; F337-Y339 HydrophobicContact CE2-CD2 3.79Å; F337-Y339 HydrophobicContact CE2-CE2 4.29Å; F337-Y339 AromaticContact CE2-CG 3.73Å; F337-Y339 HydrophobicContact CE2-CG 3.73Å; F337-Y339 HydrophobicContact CZ-CD1 4.44Å; F337-Y339 AromaticContact CZ-CD2 3.22Å; F337-Y339 HydrophobicContact CZ-CD2 3.22Å; F337-Y339 AromaticContact CZ-CE2 3.88Å; F337-Y339 HydrophobicContact CZ-CE2 3.88Å; F337-Y339 AromaticContact CZ-CG 3.54Å; F337-Y339 HydrophobicContact CZ-CG 3.54Å; F337-Y339 PolarHBondContact O-N 3.02Å; F337-Y339 VanDerWaalsContact O-N 3.17Å; Y339-Y341 PolarHBondContact O-N 2.77Å; Y339-L342 HydrophobicContact CD1-CD1 3.58Å; Y339-L342 HydrophobicContact CE1-CD1 4.01Å; Y339-L342 HydrophobicContact CG-CD1 4.38Å; Y339-L342 PolarHBondContact O-N 2.79Å |
| 340 | N | 96.3 | Very high | 97.2 | Very high | 66 Ų | 66 | 37.6 Ų | 37.6 | 35% | 0.353 | 20% | 0.197 | S | C | . | . | G | 310 helix | trans | -54.7 | -22.7 | 169.4 | -74.3 | -26.8 | 0 | 0 | 0 | 113.5 | M277 F337 V338 W343 | M277-N340 HydrophobicContact CE-CB 4.35Å; M277-N340 WeakPolarHBondContact CE-OD1 3.42Å; F337-N340 VanDerWaalsContact O-CB 3.29Å; F337-N340 WeakPolarHBondContact O-CB 3.37Å; F337-N340 PolarHBondContact O-N 3.34Å; F337-N340 PolarHBondContact O-ND2 3.32Å; V338-N340 PolarHBondContact O-N 3.2Å; V338-N340 VanDerWaalsContact O-N 3.11Å; N340-W343 PolarHBondContact O-NE1 2.97Å |
| 341 | Y | 96.7 | Very high | 97.1 | Very high | 28 Ų | 28 | 37.8 Ų | 37.8 | 11% | 0.11 | 20% | 0.198 | C | C | . | . | G | 310 helix | trans | -97.8 | -1.7 | -177.8 | -60.8 | -88.8 | 0 | 0 | 0 | 113.3 | E336 V338 Y339 A357 M360 A361 F443 | E336-Y341 VanDerWaalsContact CD-OH 3.26Å; E336-Y341 WeakPolarHBondContact OE1-CE2 3.22Å; E336-Y341 PolarHBondContact OE1-OH 2.9Å; E336-Y341 PolarHBondContact OE2-OH 3.12Å; V338-Y341 WeakPolarHBondContact O-CD2 2.89Å; V338-Y341 PolarHBondContact O-N 2.94Å; Y339-Y341 PolarHBondContact O-N 2.77Å; Y341-A357 WeakPolarHBondContact CE1-O 3.49Å; Y341-M360 HydrophobicContact CE1-CB 4.22Å; Y341-M360 VanDerWaalsContact OH-C 3.27Å; Y341-M360 PolarHBondContact OH-O 3.29Å; Y341-A361 HydrophobicContact CD1-CB 3.84Å; Y341-A361 HydrophobicContact CD2-CB 3.88Å; Y341-A361 HydrophobicContact CE1-CB 3.76Å; Y341-A361 HydrophobicContact CE2-CB 3.82Å; Y341-A361 HydrophobicContact CG-CB 3.91Å; Y341-A361 PolarHBondContact OH-N 3.16Å; Y341-F443 HydrophobicContact CD1-CE2 4.23Å; Y341-F443 HydrophobicContact CD2-CZ 4.38Å; Y341-F443 AromaticContact CG-CE2 3.87Å; Y341-F443 HydrophobicContact CG-CE2 3.87Å; Y341-F443 AromaticContact CG-CZ 3.98Å; Y341-F443 HydrophobicContact CG-CZ 3.98Å |
| 342 | L | 97.6 | Very high | 97.1 | Very high | 18 Ų | 18 | 43.7 Ų | 43.7 | 9% | 0.094 | 23% | 0.225 | C | C | . | . | trans | -105.5 | 21.4 | -173.4 | -56.4 | -177.6 | 0 | 0 | 0 | 113.7 | L60 F61 Y339 L347 F443 | L60-L342 HydrophobicContact CB-CB 4.21Å; L60-L342 VanDerWaalsContact CB-O 3.3Å; L60-L342 WeakPolarHBondContact CB-O 3.44Å; L60-L342 HydrophobicContact CD2-CB 4.36Å; L60-L342 HydrophobicContact CD2-CD1 4.31Å; L60-L342 HydrophobicContact CD2-CD2 4.49Å; L60-L342 PolarHBondContact N-O 3.45Å; F61-L342 HydrophobicContact CE2-CD1 3.97Å; F61-L342 HydrophobicContact CZ-CD1 4.09Å; Y339-L342 HydrophobicContact CD1-CD1 3.58Å; Y339-L342 HydrophobicContact CE1-CD1 4.01Å; Y339-L342 HydrophobicContact CG-CD1 4.38Å; Y339-L342 PolarHBondContact O-N 2.79Å; L342-L347 HydrophobicContact CB-CD1 4.46Å; L342-L347 HydrophobicContact CD2-CD2 4.3Å; L342-F443 HydrophobicContact CD2-CB 4.16Å; L342-F443 HydrophobicContact CD2-CD1 3.89Å; L342-F443 HydrophobicContact CD2-CG 4.06Å | ||
| 343 | W | 98.1 | Very high | 97 | Very high | 68 Ų | 68 | 48.3 Ų | 48.3 | 26% | 0.258 | 25% | 0.247 | S | C | . | . | B | Isolated β-bridge | trans | -63.6 | 134.9 | 165.9 | -64.1 | 103.8 | 0 | 0 | 0 | 110.5 | H59 M277 N340 A345 N346 L347 | H59-W343 HydrophobicContact CB-CE3 4.06Å; H59-W343 HydrophobicContact CB-CZ3 4.04Å; H59-W343 AromaticContact CD2-CD2 3.94Å; H59-W343 AromaticContact CD2-CE3 3.95Å; M277-W343 HydrophobicContact CB-CH2 4.48Å; M277-W343 HydrophobicContact CG-CH2 4.33Å; M277-W343 HydrophobicContact CG-CZ2 3.94Å; N340-W343 PolarHBondContact O-NE1 2.97Å; W343-A345 PolarHBondContact O-N 3.44Å; W343-N346 WeakPolarHBondContact O-CB 3.07Å; W343-N346 PolarHBondContact O-N 2.59Å; W343-L347 PolarHBondContact O-N 2.96Å |
| 344 | L | 98.3 | Very high | 96.9 | Very high | 2 Ų | 2 | 44.9 Ų | 44.9 | 1% | 0.01 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -59.2 | -33 | -179.8 | -71 | 166 | 0 | 0 | 0 | 112 | F16 F50 F57 Y58 H59 N346 L347 R348 | F16-L344 HydrophobicContact CB-CD2 4.1Å; F16-L344 HydrophobicContact CD1-CD2 4.12Å; F16-L344 HydrophobicContact CG-CD2 4.29Å; F50-L344 HydrophobicContact CD1-CD1 3.76Å; F50-L344 HydrophobicContact CD1-CD2 4.01Å; F50-L344 HydrophobicContact CE1-CD1 4.48Å; F50-L344 HydrophobicContact CE1-CD2 4Å; F57-L344 WeakPolarHBondContact O-CD1 3.47Å; Y58-L344 WeakPolarHBondContact O-CB 3.21Å; Y58-L344 PolarHBondContact O-N 3.23Å; H59-L344 WeakPolarHBondContact O-CD1 3.28Å; L344-N346 VanDerWaalsContact C-N 3.29Å; L344-N346 PolarHBondContact O-N 2.86Å; L344-L347 PolarHBondContact O-N 2.87Å; L344-R348 WeakPolarHBondContact O-CB 3.38Å; L344-R348 WeakPolarHBondContact O-CG 3.23Å; L344-R348 PolarHBondContact O-N 3.37Å |
| 345 | A | 97.3 | Very high | 97 | Very high | 79 Ų | 79 | 45 Ų | 45 | 65% | 0.653 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -59.5 | -39.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | W343 A349 | W343-A345 PolarHBondContact O-N 3.44Å; A345-A349 PolarHBondContact O-N 2.87Å |
| 346 | N | 96.4 | Very high | 97 | Very high | 64 Ų | 64 | 49.5 Ų | 49.5 | 34% | 0.342 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -73.5 | -45.4 | 176.8 | -65.7 | -21.6 | 0 | 0 | 0 | 110.8 | W343 L344 R348 A349 V354 | W343-N346 WeakPolarHBondContact O-CB 3.07Å; W343-N346 PolarHBondContact O-N 2.59Å; L344-N346 VanDerWaalsContact C-N 3.29Å; L344-N346 PolarHBondContact O-N 2.86Å; N346-R348 VanDerWaalsContact C-N 3.26Å; N346-R348 PolarHBondContact O-N 2.82Å; N346-A349 WeakPolarHBondContact O-CB 3.46Å; N346-A349 PolarHBondContact O-N 3.46Å; N346-A349 VanDerWaalsContact O-N 3.15Å; N346-V354 WeakPolarHBondContact O-CG2 3.29Å |
| 347 | L | 97.3 | Very high | 96.9 | Very high | 4 Ų | 4 | 48 Ų | 48 | 2% | 0.021 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -67.8 | -25 | -178.9 | -64.2 | 174.4 | 0 | 0 | 0 | 113.1 | Y12 F16 L60 L342 W343 L344 F443 | Y12-L347 WeakPolarHBondContact CD2-O 3.32Å; Y12-L347 VanDerWaalsContact CE2-O 3.24Å; Y12-L347 WeakPolarHBondContact CE2-O 3.22Å; F16-L347 HydrophobicContact CD2-CB 4.23Å; F16-L347 HydrophobicContact CE1-CB 4.4Å; F16-L347 HydrophobicContact CE1-CD1 4.07Å; F16-L347 HydrophobicContact CE2-CB 3.76Å; F16-L347 HydrophobicContact CZ-CB 3.85Å; F16-L347 HydrophobicContact CZ-CD1 4.13Å; F16-L347 HydrophobicContact CZ-CG 4.41Å; L60-L347 HydrophobicContact CB-CD1 4.02Å; L60-L347 HydrophobicContact CD1-CD1 4.24Å; L60-L347 HydrophobicContact CD2-CD1 4.01Å; L60-L347 HydrophobicContact CG-CD1 4.31Å; L342-L347 HydrophobicContact CB-CD1 4.46Å; L342-L347 HydrophobicContact CD2-CD2 4.3Å; W343-L347 PolarHBondContact O-N 2.96Å; L344-L347 PolarHBondContact O-N 2.87Å; L347-F443 HydrophobicContact CD2-CB 4.1Å |
| 348 | R | 97.7 | Very high | 96.7 | Very high | 75 Ų | 75 | 47.8 Ų | 47.8 | 28% | 0.283 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | 0.3 | 175.5 | -64.6 | 171.7 | -178 | 163 | 0.3 | 113.5 | K13 F16 F50 L344 N346 | K13-R348 WeakPolarHBondContact CD-O 3.49Å; K13-R348 WeakPolarHBondContact CE-O 3.37Å; K13-R348 PolarHBondContact NZ-O 3.42Å; F16-R348 HydrophobicContact CB-CG 4.01Å; F16-R348 HydrophobicContact CD2-CG 4.11Å; F16-R348 HydrophobicContact CG-CG 4.41Å; F16-R348 VanDerWaalsContact O-CZ 3.26Å; F16-R348 PolarHBondContact O-NE 2.94Å; F16-R348 VanDerWaalsContact O-NE 3.16Å; F16-R348 PolarHBondContact O-NH2 3.34Å; F50-R348 VanDerWaalsContact CG-NH2 3.34Å; L344-R348 WeakPolarHBondContact O-CB 3.38Å; L344-R348 WeakPolarHBondContact O-CG 3.23Å; L344-R348 PolarHBondContact O-N 3.37Å; N346-R348 VanDerWaalsContact C-N 3.26Å; N346-R348 PolarHBondContact O-N 2.82Å |
| 349 | A | 97.8 | Very high | 96.6 | Very high | 18 Ų | 18 | 52.1 Ų | 52.1 | 15% | 0.149 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -66.1 | 169.1 | 177 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y12 K13 A345 N346 E353 V354 | Y12-A349 PolarHBondContact OH-O 2.9Å; K13-A349 VanDerWaalsContact CE-O 3.32Å; K13-A349 WeakPolarHBondContact CE-O 3.24Å; A345-A349 PolarHBondContact O-N 2.87Å; N346-A349 WeakPolarHBondContact O-CB 3.46Å; N346-A349 PolarHBondContact O-N 3.46Å; N346-A349 VanDerWaalsContact O-N 3.15Å; A349-E353 HydrophobicContact CB-CB 3.86Å; A349-V354 HydrophobicContact CB-CG2 4.12Å |
| 350 | N | 97.3 | Very high | 96.3 | Very high | 90 Ų | 90 | 58.5 Ų | 58.5 | 48% | 0.481 | 30% | 0.297 | S | S | . | . | trans | -71.4 | 158.1 | 173.7 | -66.8 | -37.5 | 0 | 0 | 0 | 110.9 | K13 E352 E353 V354 | K13-N350 PolarHBondContact NZ-OD1 3.37Å; N350-E352 VanDerWaalsContact C-N 3.31Å; N350-E352 PolarHBondContact O-N 2.69Å; N350-E353 PolarHBondContact N-OE2 3.03Å; N350-E353 WeakPolarHBondContact O-CA 3.45Å; N350-E353 WeakPolarHBondContact O-CB 3.29Å; N350-E353 PolarHBondContact O-N 2.87Å; N350-V354 PolarHBondContact O-N 3.05Å | ||
| 351 | W | 96.9 | Very high | 96.2 | Very high | 6 Ų | 6 | 55.6 Ų | 55.6 | 2% | 0.023 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -58.3 | -38.8 | -168.3 | 177.3 | -122.9 | 0 | 0 | 0 | 114.4 | E6 H7 Y12 E353 V354 K355 N441 H442 I444 | E6-W351 PolarHBondContact OE2-NE1 3.19Å; H7-W351 HydrophobicContact CB-CD2 4.06Å; H7-W351 HydrophobicContact CB-CE3 4.24Å; H7-W351 HydrophobicContact CB-CG 4.28Å; H7-W351 VanDerWaalsContact O-CB 3.29Å; H7-W351 WeakPolarHBondContact O-CB 3.3Å; Y12-W351 HydrophobicContact CE1-CB 4.34Å; Y12-W351 AromaticContact CE1-CE3 3.99Å; Y12-W351 HydrophobicContact CE1-CE3 3.99Å; Y12-W351 VanDerWaalsContact OH-CA 3.26Å; Y12-W351 WeakPolarHBondContact OH-CA 3.41Å; Y12-W351 PolarHBondContact OH-N 3.39Å; W351-E353 VanDerWaalsContact C-N 3.31Å; W351-E353 PolarHBondContact O-N 2.79Å; W351-V354 HydrophobicContact CE3-CB 4.18Å; W351-V354 HydrophobicContact CE3-CG1 4.16Å; W351-V354 HydrophobicContact CZ3-CB 4.48Å; W351-V354 HydrophobicContact CZ3-CG1 3.99Å; W351-V354 PolarHBondContact O-N 2.86Å; W351-K355 HydrophobicContact CD2-CD 4.38Å; W351-K355 HydrophobicContact CD2-CG 4.16Å; W351-K355 HydrophobicContact CE3-CG 4.42Å; W351-K355 HydrophobicContact CH2-CD 4.48Å; W351-K355 HydrophobicContact CH2-CG 3.98Å; W351-K355 HydrophobicContact CZ2-CD 3.71Å; W351-K355 HydrophobicContact CZ2-CG 3.7Å; W351-K355 HydrophobicContact CZ3-CG 4.33Å; W351-K355 WeakPolarHBondContact O-CG 3.25Å; W351-K355 PolarHBondContact O-N 2.65Å; W351-N441 HydrophobicContact CH2-CB 4.46Å; W351-H442 HydrophobicContact CH2-CB 4.24Å; W351-H442 AromaticContact CH2-ND1 3.83Å; W351-H442 HydrophobicContact CZ3-CB 4.39Å; W351-I444 HydrophobicContact CE3-CG1 4.46Å; W351-I444 HydrophobicContact CZ3-CB 4.37Å; W351-I444 HydrophobicContact CZ3-CG1 3.88Å |
| 352 | E | 96.9 | Very high | 96.3 | Very high | 124 Ų | 124 | 54.7 Ų | 54.7 | 58% | 0.579 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -63.7 | -35.2 | 174.8 | -65.9 | -54.6 | 139.7 | 0 | 0 | 113.1 | N350 K355 K356 | N350-E352 VanDerWaalsContact C-N 3.31Å; N350-E352 PolarHBondContact O-N 2.69Å; E352-K355 VanDerWaalsContact CD-CE 3.46Å; E352-K355 WeakPolarHBondContact OE1-CE 3.07Å; E352-K355 IonicContact OE1-NZ 2.65Å; E352-K355 PolarHBondContact OE1-NZ 3.4Å; E352-K355 WeakPolarHBondContact OE2-CE 3.45Å; E352-K355 IonicContact OE2-NZ 3.7Å; E352-K355 PolarHBondContact OE2-NZ 2.82Å; E352-K356 WeakPolarHBondContact O-CB 3.2Å; E352-K356 PolarHBondContact O-N 2.85Å |
| 353 | E | 96.8 | Very high | 96.3 | Very high | 109 Ų | 109 | 55.3 Ų | 55.3 | 51% | 0.509 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -73.6 | -41.3 | 178.3 | -64.2 | 166.4 | 156.8 | 0 | 0 | 111 | A349 N350 W351 K356 A357 | A349-E353 HydrophobicContact CB-CB 3.86Å; N350-E353 PolarHBondContact N-OE2 3.03Å; N350-E353 WeakPolarHBondContact O-CA 3.45Å; N350-E353 WeakPolarHBondContact O-CB 3.29Å; N350-E353 PolarHBondContact O-N 2.87Å; W351-E353 VanDerWaalsContact C-N 3.31Å; W351-E353 PolarHBondContact O-N 2.79Å; E353-K356 PolarHBondContact O-N 3.3Å; E353-A357 WeakPolarHBondContact O-CB 3.39Å; E353-A357 PolarHBondContact O-N 2.87Å |
| 354 | V | 96.8 | Very high | 96.3 | Very high | 6 Ų | 6 | 52.3 Ų | 52.3 | 4% | 0.036 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -56.4 | -51.1 | 172.9 | 172.8 | 0 | 0 | 0 | 0 | 110.3 | Y12 N346 A349 N350 W351 K356 A357 A358 H442 I444 | Y12-V354 HydrophobicContact CE2-CG2 4.2Å; Y12-V354 WeakPolarHBondContact OH-CG2 3.4Å; N346-V354 WeakPolarHBondContact O-CG2 3.29Å; A349-V354 HydrophobicContact CB-CG2 4.12Å; N350-V354 PolarHBondContact O-N 3.05Å; W351-V354 HydrophobicContact CE3-CB 4.18Å; W351-V354 HydrophobicContact CE3-CG1 4.16Å; W351-V354 HydrophobicContact CZ3-CB 4.48Å; W351-V354 HydrophobicContact CZ3-CG1 3.99Å; W351-V354 PolarHBondContact O-N 2.86Å; V354-K356 PolarHBondContact O-N 3.36Å; V354-A357 PolarHBondContact O-N 2.85Å; V354-A358 WeakPolarHBondContact O-CB 3.43Å; V354-A358 PolarHBondContact O-N 3.38Å; V354-H442 HydrophobicContact CG1-CB 4.26Å; V354-H442 WeakPolarHBondContact CG1-O 3.43Å; V354-I444 HydrophobicContact CG1-CD1 4.26Å; V354-I444 HydrophobicContact CG1-CG1 3.94Å |
| 355 | K | 96.2 | Very high | 96.3 | Very high | 30 Ų | 30 | 52.8 Ų | 52.8 | 13% | 0.13 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -57.3 | -48.9 | 176.7 | -74.4 | -174 | -65.4 | -177.8 | 0 | 111.4 | E6 W351 E352 A357 A358 M359 | E6-K355 IonicContact OE1-NZ 3.65Å; E6-K355 IonicContact OE2-NZ 2.59Å; E6-K355 PolarHBondContact OE2-NZ 3.36Å; W351-K355 HydrophobicContact CD2-CD 4.38Å; W351-K355 HydrophobicContact CD2-CG 4.16Å; W351-K355 HydrophobicContact CE3-CG 4.42Å; W351-K355 HydrophobicContact CH2-CD 4.48Å; W351-K355 HydrophobicContact CH2-CG 3.98Å; W351-K355 HydrophobicContact CZ2-CD 3.71Å; W351-K355 HydrophobicContact CZ2-CG 3.7Å; W351-K355 HydrophobicContact CZ3-CG 4.33Å; W351-K355 WeakPolarHBondContact O-CG 3.25Å; W351-K355 PolarHBondContact O-N 2.65Å; E352-K355 VanDerWaalsContact CD-CE 3.46Å; E352-K355 WeakPolarHBondContact OE1-CE 3.07Å; E352-K355 IonicContact OE1-NZ 2.65Å; E352-K355 PolarHBondContact OE1-NZ 3.4Å; E352-K355 WeakPolarHBondContact OE2-CE 3.45Å; E352-K355 IonicContact OE2-NZ 3.7Å; E352-K355 PolarHBondContact OE2-NZ 2.82Å; K355-A357 VanDerWaalsContact C-N 3.35Å; K355-A357 PolarHBondContact O-N 3.11Å; K355-A358 PolarHBondContact O-N 2.79Å; K355-M359 WeakPolarHBondContact O-CG 3.4Å; K355-M359 PolarHBondContact O-N 2.75Å; K355-M359 VanDerWaalsContact O-N 3.12Å |
| 356 | K | 95.6 | Very high | 96.4 | Very high | 165 Ų | 165 | 49 Ų | 49 | 72% | 0.717 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -59.7 | -43.5 | -179.1 | -174.5 | -178.6 | 178 | -175 | 0 | 112 | E352 E353 V354 M359 | E352-K356 WeakPolarHBondContact O-CB 3.2Å; E352-K356 PolarHBondContact O-N 2.85Å; E353-K356 PolarHBondContact O-N 3.3Å; V354-K356 PolarHBondContact O-N 3.36Å; K356-M359 PolarHBondContact O-N 2.88Å |
| 357 | A | 93.5 | Very high | 96.5 | Very high | 35 Ų | 35 | 47.1 Ų | 47.1 | 29% | 0.289 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -63.1 | -45.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y341 E353 V354 K355 M359 M360 | Y341-A357 WeakPolarHBondContact CE1-O 3.49Å; E353-A357 WeakPolarHBondContact O-CB 3.39Å; E353-A357 PolarHBondContact O-N 2.87Å; V354-A357 PolarHBondContact O-N 2.85Å; K355-A357 VanDerWaalsContact C-N 3.35Å; K355-A357 PolarHBondContact O-N 3.11Å; A357-M359 PolarHBondContact O-N 3.4Å; A357-M360 PolarHBondContact O-N 2.67Å |
| 358 | A | 93.9 | Very high | 96.6 | Very high | 2 Ų | 2 | 47 Ų | 47 | 2% | 0.017 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -69.6 | -14 | -179 | 0 | 0 | 0 | 0 | 0 | 114.3 | V354 K355 M360 A361 R414 H442 F443 | V354-A358 WeakPolarHBondContact O-CB 3.43Å; V354-A358 PolarHBondContact O-N 3.38Å; K355-A358 PolarHBondContact O-N 2.79Å; A358-M360 PolarHBondContact O-N 3.49Å; A358-A361 WeakPolarHBondContact O-CB 3.45Å; A358-A361 PolarHBondContact O-N 2.84Å; A358-A361 VanDerWaalsContact O-N 3.17Å; A358-R414 PolarHBondContact O-NH1 3.27Å; A358-H442 HydrophobicContact CB-CB 3.65Å; A358-F443 HydrophobicContact CB-CD2 3.93Å; A358-F443 HydrophobicContact CB-CE2 3.8Å |
| 359 | M | 93.4 | Very high | 96.6 | Very high | 96 Ų | 96 | 43.5 Ų | 43.5 | 47% | 0.473 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67 | -23.4 | 175.5 | -75.4 | -55.8 | -58.1 | 0 | 0 | 113.6 | K355 K356 A357 R414 | K355-M359 WeakPolarHBondContact O-CG 3.4Å; K355-M359 PolarHBondContact O-N 2.75Å; K355-M359 VanDerWaalsContact O-N 3.12Å; K356-M359 PolarHBondContact O-N 2.88Å; A357-M359 PolarHBondContact O-N 3.4Å; M359-R414 VanDerWaalsContact C-NH1 3.3Å; M359-R414 PolarHBondContact O-NH1 3.38Å; M359-R414 HydrophobicContact SD-CG 4.34Å |
| 360 | M | 91.4 | Very high | 96.7 | Very high | 144 Ų | 144 | 42.7 Ų | 42.7 | 71% | 0.709 | 21% | 0.21 | S | C | * | . | S | Bend | trans | -85.5 | -17.5 | 174.1 | -61.9 | -59.9 | 109.1 | 0 | 0 | 112.5 | Y341 A357 A358 | Y341-M360 HydrophobicContact CE1-CB 4.22Å; Y341-M360 VanDerWaalsContact OH-C 3.27Å; Y341-M360 PolarHBondContact OH-O 3.29Å; A357-M360 PolarHBondContact O-N 2.67Å; A358-M360 PolarHBondContact O-N 3.49Å |
| 361 | A | 95.1 | Very high | 96.8 | Very high | 4 Ų | 4 | 38.5 Ų | 38.5 | 3% | 0.033 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -64.7 | 158.7 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y341 A358 R414 F443 | Y341-A361 HydrophobicContact CD1-CB 3.84Å; Y341-A361 HydrophobicContact CD2-CB 3.88Å; Y341-A361 HydrophobicContact CE1-CB 3.76Å; Y341-A361 HydrophobicContact CE2-CB 3.82Å; Y341-A361 HydrophobicContact CG-CB 3.91Å; Y341-A361 PolarHBondContact OH-N 3.16Å; A358-A361 WeakPolarHBondContact O-CB 3.45Å; A358-A361 PolarHBondContact O-N 2.84Å; A358-A361 VanDerWaalsContact O-N 3.17Å; A361-R414 PolarHBondContact O-NH1 2.83Å; A361-R414 PolarHBondContact O-NH2 2.9Å; A361-F443 HydrophobicContact CB-CE2 3.82Å; A361-F443 HydrophobicContact CB-CZ 3.6Å |
| 362 | P | 97.5 | Very high | 96.8 | Very high | 9 Ų | 9 | 38.3 Ų | 38.3 | 6% | 0.058 | 19% | 0.186 | C | C | . | . | P | Polyproline II helix | trans | -47.7 | 141 | 161.6 | -33.1 | 40.5 | 0 | 0 | 0 | 112.4 | W332 K333 E336 V338 | W332-P362 HydrophobicContact CB-CB 3.81Å; W332-P362 HydrophobicContact CE3-CB 4.31Å; K333-P362 WeakPolarHBondContact O-CA 3.17Å; K333-P362 WeakPolarHBondContact O-CB 3.48Å; E336-P362 HydrophobicContact CB-CG 4.1Å; V338-P362 HydrophobicContact CG2-CB 3.94Å; V338-P362 HydrophobicContact CG2-CG 3.81Å |
| 363 | Q | 98.2 | Very high | 96.5 | Very high | 32 Ų | 32 | 34.1 Ų | 34.1 | 15% | 0.15 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 125.3 | 178.1 | 170.9 | 58.1 | 48 | 0 | 0 | 109.6 | K333 G412 | K333-Q363 HydrophobicContact CB-CB 4.4Å; K333-Q363 HydrophobicContact CD-CB 4.36Å; K333-Q363 HydrophobicContact CD-CG 4.42Å; K333-Q363 WeakPolarHBondContact CG-O 2.97Å; K333-Q363 PolarHBondContact N-O 2.84Å; Q363-G412 PolarHBondContact NE2-O 2.96Å |
| 364 | P | 98.4 | Very high | 96.2 | Very high | 4 Ų | 4 | 34.6 Ų | 34.6 | 3% | 0.026 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 146.7 | 177 | 28.5 | -35.6 | 0 | 0 | 0 | 112.2 | S331 W332 A416 | S331-P364 CarbonylContact O-C 3.4Å; S331-P364 VanDerWaalsContact O-CA 3.31Å; S331-P364 WeakPolarHBondContact O-CA 3.45Å; W332-P364 HydrophobicContact CD2-CB 4.13Å; W332-P364 HydrophobicContact CE3-CB 3.84Å; W332-P364 HydrophobicContact CE3-CG 4.28Å; W332-P364 HydrophobicContact CH2-CB 3.98Å; W332-P364 HydrophobicContact CH2-CG 4.21Å; W332-P364 HydrophobicContact CZ2-CB 4.25Å; W332-P364 HydrophobicContact CZ3-CB 3.76Å; W332-P364 HydrophobicContact CZ3-CG 3.86Å; P364-A416 HydrophobicContact CB-CB 3.53Å; P364-A416 HydrophobicContact CG-CB 3.75Å |
| 365 | E | 98.4 | Very high | 95.7 | Very high | 12 Ų | 12 | 36 Ų | 36 | 6% | 0.056 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.1 | 137.9 | 176 | -171.5 | 163.1 | 80.9 | 0 | 0 | 110.8 | S331 K333 R367 V408 F410 S411 | S331-E365 WeakPolarHBondContact CA-O 3.4Å; S331-E365 PolarHBondContact N-O 2.86Å; S331-E365 PolarHBondContact O-N 3.37Å; S331-E365 VanDerWaalsContact O-O 3.13Å; S331-E365 PolarHBondContact OG-O 2.76Å; K333-E365 WeakPolarHBondContact CE-OE1 3.39Å; K333-E365 WeakPolarHBondContact CE-OE2 3.42Å; K333-E365 VanDerWaalsContact NZ-CD 3.35Å; K333-E365 IonicContact NZ-OE1 3.02Å; K333-E365 PolarHBondContact NZ-OE1 3.38Å; K333-E365 IonicContact NZ-OE2 3.21Å; K333-E365 PolarHBondContact NZ-OE2 3.02Å; E365-R367 HydrophobicContact CB-CG 4.42Å; E365-R367 HydrophobicContact CG-CG 3.98Å; E365-R367 IonicContact OE1-CZ 2.72Å; E365-R367 VanDerWaalsContact OE1-CZ 3.24Å; E365-R367 IonicContact OE1-NE 2.67Å; E365-R367 PolarHBondContact OE1-NE 2.87Å; E365-R367 IonicContact OE1-NH2 2.65Å; E365-R367 PolarHBondContact OE1-NH2 3.3Å; E365-V408 VanDerWaalsContact CD-CG2 3.4Å; E365-V408 HydrophobicContact CG-CB 4.42Å; E365-V408 HydrophobicContact CG-CG1 3.54Å; E365-V408 HydrophobicContact CG-CG2 4.14Å; E365-V408 VanDerWaalsContact OE1-CG2 3.29Å; E365-V408 WeakPolarHBondContact OE1-CG2 3.23Å; E365-F410 WeakPolarHBondContact CA-O 3.48Å; E365-F410 WeakPolarHBondContact CG-O 3.34Å; E365-S411 WeakPolarHBondContact OE2-CB 3.11Å; E365-S411 PolarHBondContact OE2-OG 2.9Å |
| 366 | V | 98.9 | Very high | 95.3 | Very high | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.006 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 126 | 168.2 | -177.8 | 0 | 0 | 0 | 0 | 109.1 | I316 L329 L409 F410 F417 L451 | I316-V366 HydrophobicContact CD1-CG1 3.4Å; I316-V366 HydrophobicContact CD1-CG2 4.44Å; L329-V366 VanDerWaalsContact O-CA 3.31Å; L329-V366 WeakPolarHBondContact O-CA 3.33Å; V366-L409 HydrophobicContact CB-CB 4.24Å; V366-L409 HydrophobicContact CG1-CB 3.91Å; V366-L409 HydrophobicContact CG1-CD1 4.05Å; V366-L409 HydrophobicContact CG1-CG 4.4Å; V366-L409 PolarHBondContact O-N 2.64Å; V366-F410 HydrophobicContact CB-CB 3.94Å; V366-F410 HydrophobicContact CG2-CB 3.91Å; V366-F410 HydrophobicContact CG2-CD1 4.23Å; V366-F410 PolarHBondContact N-O 3.21Å; V366-F410 PolarHBondContact O-N 2.96Å; V366-F417 HydrophobicContact CG2-CB 3.7Å; V366-F417 HydrophobicContact CG2-CD1 3.74Å; V366-F417 HydrophobicContact CG2-CG 3.97Å; V366-L451 HydrophobicContact CG1-CD2 4.17Å |
| 367 | R | 98.8 | Very high | 94.7 | Very high | 23 Ų | 23 | 40 Ų | 40 | 9% | 0.087 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 132.7 | -172.7 | -68.6 | -178.6 | 172.1 | -167.5 | -7.3 | 111.6 | D328 L329 S331 E365 Y369 P406 | D328-R367 CarbonylContact C-O 3.58Å; D328-R367 WeakPolarHBondContact CA-O 3.36Å; L329-R367 PolarHBondContact N-O 3.04Å; L329-R367 PolarHBondContact O-N 3.04Å; S331-R367 WeakPolarHBondContact OG-CD 3.43Å; S331-R367 WeakPolarHBondContact OG-CG 3.4Å; E365-R367 HydrophobicContact CB-CG 4.42Å; E365-R367 HydrophobicContact CG-CG 3.98Å; E365-R367 IonicContact OE1-CZ 2.72Å; E365-R367 VanDerWaalsContact OE1-CZ 3.24Å; E365-R367 IonicContact OE1-NE 2.67Å; E365-R367 PolarHBondContact OE1-NE 2.87Å; E365-R367 IonicContact OE1-NH2 2.65Å; E365-R367 PolarHBondContact OE1-NH2 3.3Å; R367-Y369 HydrophobicContact CB-CD2 4.19Å; R367-Y369 HydrophobicContact CB-CE2 3.72Å; R367-Y369 PolarHBondContact NH1-OH 3.39Å; R367-P406 HydrophobicContact CB-CB 3.84Å; R367-P406 HydrophobicContact CG-CB 4.04Å; R367-P406 HydrophobicContact CG-CG 4.22Å |
| 368 | R | 98.9 | Very high | 94.3 | Very high | 3 Ų | 3 | 45.7 Ų | 45.7 | 1% | 0.011 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 125.1 | 166.6 | 173 | 164.4 | -71 | 159.6 | 0.8 | 109.8 | V326 F327 D328 V370 P406 E407 L409 V453 | V326-R368 HydrophobicContact CG1-CG 3.8Å; F327-R368 WeakPolarHBondContact O-CA 3.17Å; D328-R368 WeakPolarHBondContact OD1-CA 3.31Å; D328-R368 WeakPolarHBondContact OD1-CB 3.37Å; D328-R368 VanDerWaalsContact OD1-CG 3.26Å; D328-R368 WeakPolarHBondContact OD1-CG 3.36Å; D328-R368 IonicContact OD1-CZ 3.24Å; D328-R368 IonicContact OD1-NE 3.93Å; D328-R368 PolarHBondContact OD1-NE 2.8Å; D328-R368 IonicContact OD1-NH2 3.78Å; D328-R368 PolarHBondContact OD1-NH2 2.58Å; D328-R368 IonicContact OD2-CZ 3.4Å; D328-R368 IonicContact OD2-NE 3.94Å; D328-R368 IonicContact OD2-NH2 2.73Å; D328-R368 PolarHBondContact OD2-NH2 3.29Å; R368-V370 HydrophobicContact CG-CG2 4.39Å; R368-P406 CarbonylContact O-C 3.54Å; R368-P406 VanDerWaalsContact O-CA 3.23Å; R368-P406 WeakPolarHBondContact O-CA 3.47Å; R368-E407 HydrophobicContact CB-CB 4.16Å; R368-E407 PolarHBondContact N-O 3.03Å; R368-E407 PolarHBondContact O-N 2.7Å; R368-L409 HydrophobicContact CB-CD1 4.07Å; R368-L409 HydrophobicContact CB-CD2 4.15Å; R368-L409 HydrophobicContact CB-CG 4.07Å; R368-V453 PolarHBondContact NH1-O 3.3Å; R368-V453 VanDerWaalsContact NH2-CG2 3.3Å; R368-V453 PolarHBondContact NH2-O 3.23Å |
| 369 | Y | 98.9 | Very high | 93.9 | Very high | 1 Ų | 1 | 49 Ų | 49 | 0% | 0.004 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 152.5 | 170.7 | -72.8 | -87.7 | 0 | 0 | 0 | 109.9 | F290 I310 F327 L329 R367 L404 P406 | F290-Y369 HydrophobicContact CE1-CD1 4.33Å; F290-Y369 HydrophobicContact CE1-CD2 4.35Å; F290-Y369 HydrophobicContact CE1-CE1 4.35Å; F290-Y369 HydrophobicContact CE1-CE2 4.38Å; F290-Y369 HydrophobicContact CE1-CG 4.32Å; F290-Y369 HydrophobicContact CE2-CE1 4.4Å; F290-Y369 HydrophobicContact CZ-CD1 4Å; F290-Y369 AromaticContact CZ-CE1 3.71Å; F290-Y369 HydrophobicContact CZ-CE1 3.71Å; F290-Y369 HydrophobicContact CZ-CE2 4.35Å; F290-Y369 HydrophobicContact CZ-CG 4.44Å; F290-Y369 AromaticContact CZ-CZ 3.9Å; I310-Y369 HydrophobicContact CD1-CE2 4.23Å; F327-Y369 AromaticContact CE2-CD2 3.98Å; F327-Y369 HydrophobicContact CE2-CD2 3.98Å; F327-Y369 HydrophobicContact CE2-CG 4.02Å; F327-Y369 HydrophobicContact CZ-CD2 4.36Å; F327-Y369 AromaticContact CZ-CG 3.93Å; F327-Y369 HydrophobicContact CZ-CG 3.93Å; F327-Y369 PolarHBondContact N-O 3.49Å; F327-Y369 PolarHBondContact O-N 3.15Å; L329-Y369 HydrophobicContact CD1-CD2 4.04Å; L329-Y369 HydrophobicContact CD1-CE2 4.1Å; R367-Y369 HydrophobicContact CB-CD2 4.19Å; R367-Y369 HydrophobicContact CB-CE2 3.72Å; R367-Y369 PolarHBondContact NH1-OH 3.39Å; Y369-L404 HydrophobicContact CD1-CB 3.92Å; Y369-L404 HydrophobicContact CD1-CD1 4.34Å; Y369-L404 HydrophobicContact CE1-CB 4.26Å; Y369-P406 HydrophobicContact CD1-CB 4.08Å; Y369-P406 HydrophobicContact CD2-CB 4.26Å; Y369-P406 HydrophobicContact CE1-CB 3.72Å; Y369-P406 HydrophobicContact CE1-CG 4.06Å; Y369-P406 HydrophobicContact CE2-CB 3.9Å; Y369-P406 HydrophobicContact CG-CB 4.34Å |
| 370 | V | 98.8 | Very high | 93.8 | Very high | 1 Ų | 1 | 49.4 Ų | 49.4 | 1% | 0.006 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 121.6 | -179 | -177.2 | 0 | 0 | 0 | 0 | 108.9 | F324 I325 V326 R368 V385 L387 T390 A392 | F324-V370 HydrophobicContact CB-CG1 3.78Å; F324-V370 HydrophobicContact CD1-CG1 3.72Å; F324-V370 HydrophobicContact CG-CG1 3.98Å; I325-V370 CarbonylContact O-C 3.52Å; I325-V370 WeakPolarHBondContact O-CA 3.34Å; V326-V370 HydrophobicContact CG1-CG2 4.29Å; V326-V370 HydrophobicContact CG2-CG1 4.41Å; V326-V370 HydrophobicContact CG2-CG2 4.22Å; R368-V370 HydrophobicContact CG-CG2 4.39Å; V370-V385 HydrophobicContact CB-CG1 4.28Å; V370-V385 HydrophobicContact CB-CG2 4Å; V370-V385 HydrophobicContact CG1-CG1 3.92Å; V370-V385 HydrophobicContact CG1-CG2 3.92Å; V370-L387 HydrophobicContact CG1-CD1 3.97Å; V370-T390 HydrophobicContact CG2-CG2 4.1Å; V370-A392 HydrophobicContact CB-CB 4.18Å; V370-A392 HydrophobicContact CG2-CB 3.7Å |
| 371 | I | 98.4 | Very high | 93.8 | Very high | 1 Ų | 1 | 45.3 Ų | 45.3 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 121.4 | 178.7 | -74.6 | 169.7 | 0 | 0 | 0 | 109.5 | F290 V292 F305 F324 I325 F327 L404 | F290-I371 HydrophobicContact CB-CD1 4.06Å; V292-I371 HydrophobicContact CG2-CD1 3.65Å; V292-I371 HydrophobicContact CG2-CG2 4.11Å; F305-I371 HydrophobicContact CD1-CG1 4.3Å; F305-I371 HydrophobicContact CD1-CG2 4.23Å; F305-I371 HydrophobicContact CD2-CG2 4.37Å; F305-I371 HydrophobicContact CE1-CG2 3.66Å; F305-I371 HydrophobicContact CE2-CG2 3.81Å; F305-I371 HydrophobicContact CG-CD1 4.49Å; F305-I371 HydrophobicContact CG-CG1 4.41Å; F305-I371 HydrophobicContact CZ-CG2 3.44Å; F305-I371 VanDerWaalsContact CZ-CG2 3.44Å; F324-I371 CarbonylContact C-O 3.53Å; F324-I371 VanDerWaalsContact CA-O 3.25Å; F324-I371 WeakPolarHBondContact CA-O 3.35Å; I325-I371 HydrophobicContact CB-CB 4.4Å; I325-I371 PolarHBondContact N-O 2.84Å; I325-I371 PolarHBondContact O-N 3.17Å; F327-I371 HydrophobicContact CE1-CD1 3.54Å; F327-I371 HydrophobicContact CE1-CG1 3.87Å; F327-I371 HydrophobicContact CZ-CD1 4.07Å; I371-L404 HydrophobicContact CD1-CD1 4.29Å; I371-L404 HydrophobicContact CG1-CD1 3.74Å |
| 372 | P | 97.1 | Very high | 93.7 | Very high | 2 Ų | 2 | 51.4 Ų | 51.4 | 1% | 0.013 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 133.7 | 169.3 | 28.9 | -33.1 | 0 | 0 | 0 | 110.9 | F305 F324 V375 L384 A394 | F305-P372 HydrophobicContact CE1-CG 4.27Å; F324-P372 HydrophobicContact CD1-CB 4.01Å; F324-P372 HydrophobicContact CE1-CB 3.82Å; P372-V375 HydrophobicContact CB-CG2 4.01Å; P372-V375 HydrophobicContact CG-CG2 3.86Å; P372-L384 HydrophobicContact CB-CB 4.25Å; P372-L384 HydrophobicContact CG-CB 4.02Å; P372-L384 HydrophobicContact CG-CD1 3.93Å; P372-A394 HydrophobicContact CG-CB 4.13Å |
| 373 | L | 91.9 | Very high | 93.7 | Very high | 36 Ų | 36 | 54.7 Ų | 54.7 | 19% | 0.188 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -85.8 | -38.7 | 174.7 | -66.7 | 171.4 | 0 | 0 | 0 | 112.2 | Y250 G323 I325 | Y250-L373 HydrophobicContact CD1-CD2 4.23Å; Y250-L373 HydrophobicContact CE1-CD2 3.72Å; Y250-L373 HydrophobicContact CE2-CD1 3.71Å; Y250-L373 HydrophobicContact CE2-CD2 4.22Å; G323-L373 VanDerWaalsContact O-CB 3.24Å; G323-L373 WeakPolarHBondContact O-CB 3.31Å; G323-L373 WeakPolarHBondContact O-CG 3.48Å; G323-L373 PolarHBondContact O-N 2.66Å; I325-L373 HydrophobicContact CD1-CD2 3.63Å; I325-L373 HydrophobicContact CD1-CG 4.5Å; I325-L373 HydrophobicContact CG1-CD1 4.3Å; I325-L373 HydrophobicContact CG1-CD2 3.86Å; I325-L373 HydrophobicContact CG1-CG 4.2Å |
| 374 | D | 89.1 | Confident | 93.7 | Very high | 120 Ų | 120 | 53.9 Ų | 53.9 | 64% | 0.642 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -98.3 | 113.2 | 177.2 | -68.8 | -40 | 0 | 0 | 0 | 109.5 | ||
| 375 | V | 88.3 | Confident | 93.6 | Very high | 35 Ų | 35 | 54.4 Ų | 54.4 | 21% | 0.212 | 28% | 0.275 | C | S | . | . | trans | -127.5 | 116.9 | -172 | 176.1 | 0 | 0 | 0 | 0 | 109.8 | L303 P372 L384 M396 I402 | L303-V375 HydrophobicContact CD1-CB 4.34Å; L303-V375 HydrophobicContact CD1-CG2 4.09Å; P372-V375 HydrophobicContact CB-CG2 4.01Å; P372-V375 HydrophobicContact CG-CG2 3.86Å; V375-L384 HydrophobicContact CG1-CD1 4.28Å; V375-L384 HydrophobicContact CG2-CD1 4.47Å; V375-M396 HydrophobicContact CB-CE 4.47Å; V375-M396 HydrophobicContact CG1-CE 2.98Å; V375-I402 HydrophobicContact CG1-CD1 3.94Å; V375-I402 HydrophobicContact CG2-CD1 4.03Å | ||
| 376 | H | 87.8 | Confident | 93.5 | Very high | 106 Ų | 106 | 58.1 Ų | 58.1 | 49% | 0.491 | 30% | 0.303 | S | S | . | . | trans | -112.1 | 139.7 | -178.5 | -60.4 | -70 | 0 | 0 | 0 | 111.9 | E378 E379 | H376-E378 WeakPolarHBondContact CB-OE2 3.4Å; H376-E378 PolarHBondContact O-N 3.3Å; H376-E379 HydrophobicContact CB-CG 4.28Å; H376-E379 IonicContact CD2-OE2 2.96Å; H376-E379 PolarHBondContact O-N 2.6Å | ||
| 377 | K | 81.9 | Confident | 93.5 | Very high | 174 Ų | 174 | 58.4 Ų | 58.4 | 76% | 0.757 | 30% | 0.304 | S | S | * | . | G | 310 helix | trans | -66.6 | -26.1 | -175.5 | -73.6 | -175.3 | 177.2 | 180 | 0 | 112.6 | E379 Q380 | K377-E379 PolarHBondContact O-N 3.05Å; K377-Q380 WeakPolarHBondContact O-CB 3.47Å; K377-Q380 PolarHBondContact O-N 3.11Å |
| 378 | E | 84.7 | Confident | 93.4 | Very high | 154 Ų | 154 | 63 Ų | 63 | 72% | 0.72 | 34% | 0.337 | S | S | * | . | G | 310 helix | trans | -66.1 | -13.3 | 178.5 | -60 | 75.2 | -163.8 | 0 | 0 | 112.5 | H376 | H376-E378 WeakPolarHBondContact CB-OE2 3.4Å; H376-E378 PolarHBondContact O-N 3.3Å |
| 379 | E | 85.3 | Confident | 93.3 | Very high | 72 Ų | 72 | 66.5 Ų | 66.5 | 34% | 0.336 | 35% | 0.351 | S | S | . | . | G | 310 helix | trans | -98.4 | 7.8 | -178.2 | -55.6 | -176.9 | 114.2 | 0 | 0 | 113.1 | H376 K377 G381 K382 L384 | H376-E379 HydrophobicContact CB-CG 4.28Å; H376-E379 IonicContact CD2-OE2 2.96Å; H376-E379 PolarHBondContact O-N 2.6Å; K377-E379 PolarHBondContact O-N 3.05Å; E379-G381 PolarHBondContact O-N 2.68Å; E379-K382 WeakPolarHBondContact O-CB 3.47Å; E379-K382 PolarHBondContact O-N 2.84Å; E379-K382 VanDerWaalsContact O-N 3.11Å; E379-L384 HydrophobicContact CB-CD2 3.48Å; E379-L384 VanDerWaalsContact CB-CD2 3.48Å; E379-L384 HydrophobicContact CG-CD2 4.48Å |
| 380 | Q | 91.2 | Very high | 93.3 | Very high | 103 Ų | 103 | 67.3 Ų | 67.3 | 48% | 0.481 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.9 | 135 | 177.5 | -170.1 | -171.5 | -48.8 | 0 | 0 | 112.3 | K377 K382 M396 A398 | K377-Q380 WeakPolarHBondContact O-CB 3.47Å; K377-Q380 PolarHBondContact O-N 3.11Å; Q380-K382 VanDerWaalsContact C-N 3.25Å; Q380-K382 PolarHBondContact O-N 2.97Å; Q380-M396 HydrophobicContact CB-SD 4.49Å; Q380-A398 VanDerWaalsContact NE2-CA 3.34Å |
| 381 | G | 92.1 | Very high | 93.3 | Very high | 59 Ų | 59 | 71.9 Ų | 71.9 | 61% | 0.608 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.9 | -1.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | E379 M396 | E379-G381 PolarHBondContact O-N 2.68Å; G381-M396 PolarHBondContact N-O 2.82Å |
| 382 | K | 94.2 | Very high | 93.3 | Very high | 132 Ų | 132 | 71.9 Ų | 71.9 | 57% | 0.574 | 38% | 0.384 | S | S | * | . | S | Bend | trans | -99.8 | 158 | 173.7 | -59.2 | 175.3 | -175.6 | 166.4 | 0 | 110.7 | E379 Q380 L384 | E379-K382 WeakPolarHBondContact O-CB 3.47Å; E379-K382 PolarHBondContact O-N 2.84Å; E379-K382 VanDerWaalsContact O-N 3.11Å; Q380-K382 VanDerWaalsContact C-N 3.25Å; Q380-K382 PolarHBondContact O-N 2.97Å; K382-L384 PolarHBondContact O-N 3.22Å |
| 383 | N | 96.8 | Very high | 93.4 | Very high | 77 Ų | 77 | 73.8 Ų | 73.8 | 41% | 0.412 | 40% | 0.396 | S | S | . | . | B | Isolated β-bridge | trans | -71.7 | 119.6 | 164.7 | -179.2 | 22 | 0 | 0 | 0 | 109 | V385 T393 A394 | N383-V385 PolarHBondContact ND2-O 2.85Å; N383-V385 WeakPolarHBondContact OD1-CB 3.33Å; N383-V385 PolarHBondContact OD1-N 3.27Å; N383-T393 VanDerWaalsContact OD1-CA 3.3Å; N383-T393 WeakPolarHBondContact OD1-CA 3.32Å; N383-T393 WeakPolarHBondContact OD1-CB 3.26Å; N383-A394 PolarHBondContact OD1-N 3.4Å; N383-A394 PolarHBondContact OD1-O 3.01Å |
| 384 | L | 97.1 | Very high | 93.7 | Very high | 16 Ų | 16 | 72.1 Ų | 72.1 | 8% | 0.084 | 39% | 0.387 | C | S | . | . | trans | -80.8 | -17.6 | 178.8 | -55.1 | 179.1 | 0 | 0 | 0 | 112.2 | F324 P372 V375 E379 K382 S386 A394 M396 I402 | F324-L384 VanDerWaalsContact CE1-O 3.29Å; F324-L384 WeakPolarHBondContact CE1-O 3.16Å; F324-L384 WeakPolarHBondContact CZ-O 3.23Å; P372-L384 HydrophobicContact CB-CB 4.25Å; P372-L384 HydrophobicContact CG-CB 4.02Å; P372-L384 HydrophobicContact CG-CD1 3.93Å; V375-L384 HydrophobicContact CG1-CD1 4.28Å; V375-L384 HydrophobicContact CG2-CD1 4.47Å; E379-L384 HydrophobicContact CB-CD2 3.48Å; E379-L384 VanDerWaalsContact CB-CD2 3.48Å; E379-L384 HydrophobicContact CG-CD2 4.48Å; K382-L384 PolarHBondContact O-N 3.22Å; L384-S386 PolarHBondContact O-N 2.74Å; L384-A394 HydrophobicContact CB-CB 4.39Å; L384-A394 WeakPolarHBondContact CB-O 3.2Å; L384-A394 WeakPolarHBondContact CG-O 3.3Å; L384-A394 PolarHBondContact N-O 2.99Å; L384-M396 HydrophobicContact CD1-CB 4.31Å; L384-I402 HydrophobicContact CD1-CG2 4.4Å | ||
| 385 | V | 97.5 | Very high | 94.1 | Very high | 14 Ų | 14 | 68.2 Ų | 68.2 | 9% | 0.085 | 37% | 0.367 | C | S | . | . | trans | -76.3 | 111.7 | 178.3 | -179.3 | 0 | 0 | 0 | 0 | 109.8 | V370 N383 L387 T390 A394 | V370-V385 HydrophobicContact CB-CG1 4.28Å; V370-V385 HydrophobicContact CB-CG2 4Å; V370-V385 HydrophobicContact CG1-CG1 3.92Å; V370-V385 HydrophobicContact CG1-CG2 3.92Å; N383-V385 PolarHBondContact ND2-O 2.85Å; N383-V385 WeakPolarHBondContact OD1-CB 3.33Å; N383-V385 PolarHBondContact OD1-N 3.27Å; V385-L387 HydrophobicContact CG1-CB 4.33Å; V385-T390 HydrophobicContact CG1-CG2 3.87Å; V385-A394 HydrophobicContact CG2-CB 3.77Å | ||
| 386 | S | 96.6 | Very high | 94.5 | Very high | 91 Ų | 91 | 67.2 Ų | 67.2 | 64% | 0.636 | 36% | 0.36 | S | S | * | . | trans | -104 | 1.1 | 179.3 | 64.5 | 0 | 0 | 0 | 0 | 114.1 | F324 L384 | F324-S386 WeakPolarHBondContact CE2-OG 3.22Å; F324-S386 VanDerWaalsContact CZ-OG 3.31Å; F324-S386 WeakPolarHBondContact CZ-OG 3.09Å; L384-S386 PolarHBondContact O-N 2.74Å | ||
| 387 | L | 97.4 | Very high | 94.8 | Very high | 7 Ų | 7 | 65.9 Ų | 65.9 | 4% | 0.037 | 35% | 0.354 | C | S | . | . | trans | -65.7 | 126.2 | 178.9 | -66.4 | 174.6 | 0 | 0 | 0 | 110.5 | D321 Q322 F324 V326 V370 V385 Y389 T390 | D321-L387 HydrophobicContact CB-CD2 4.48Å; Q322-L387 HydrophobicContact CB-CD2 4Å; F324-L387 HydrophobicContact CB-CD1 4Å; F324-L387 HydrophobicContact CD2-CD1 4.03Å; F324-L387 HydrophobicContact CD2-CD2 3.87Å; F324-L387 HydrophobicContact CD2-CG 3.71Å; F324-L387 HydrophobicContact CE2-CD2 4.32Å; F324-L387 HydrophobicContact CE2-CG 4.12Å; F324-L387 HydrophobicContact CG-CD1 4.05Å; F324-L387 HydrophobicContact CG-CG 4.17Å; V326-L387 HydrophobicContact CG2-CD1 3.92Å; V370-L387 HydrophobicContact CG1-CD1 3.97Å; V385-L387 HydrophobicContact CG1-CB 4.33Å; L387-Y389 VanDerWaalsContact C-N 3.28Å; L387-Y389 HydrophobicContact CB-CD1 4.43Å; L387-Y389 HydrophobicContact CB-CE1 4.09Å; L387-Y389 HydrophobicContact CD1-CE1 4.32Å; L387-Y389 HydrophobicContact CD2-CE1 4.09Å; L387-Y389 HydrophobicContact CG-CE1 4.41Å; L387-Y389 PolarHBondContact O-N 3.44Å; L387-T390 HydrophobicContact CB-CG2 3.92Å | ||
| 388 | P | 97.3 | Very high | 95.2 | Very high | 118 Ų | 118 | 61.6 Ų | 61.6 | 77% | 0.766 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.1 | -13.6 | -169.7 | 29.8 | -36.5 | 0 | 0 | 0 | 114.3 | ||
| 389 | Y | 97.1 | Very high | 95.5 | Very high | 78 Ų | 78 | 60 Ų | 60 | 31% | 0.306 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102 | -0.9 | -170 | 63 | -101.9 | 0 | 0 | 0 | 114.3 | Y319 D321 L387 | Y319-Y389 PolarHBondContact OH-OH 2.98Å; D321-Y389 WeakPolarHBondContact OD2-CE1 3.47Å; D321-Y389 PolarHBondContact OD2-OH 3.26Å; L387-Y389 VanDerWaalsContact C-N 3.28Å; L387-Y389 HydrophobicContact CB-CD1 4.43Å; L387-Y389 HydrophobicContact CB-CE1 4.09Å; L387-Y389 HydrophobicContact CD1-CE1 4.32Å; L387-Y389 HydrophobicContact CD2-CE1 4.09Å; L387-Y389 HydrophobicContact CG-CE1 4.41Å; L387-Y389 PolarHBondContact O-N 3.44Å |
| 390 | T | 98.4 | Very high | 95.7 | Very high | 18 Ų | 18 | 58.2 Ų | 58.2 | 11% | 0.11 | 35% | 0.349 | C | S | . | . | trans | -125 | 149.9 | -176.4 | -172.4 | 0 | 0 | 0 | 0 | 111.2 | V370 V385 L387 A392 E407 | V370-T390 HydrophobicContact CG2-CG2 4.1Å; V385-T390 HydrophobicContact CG1-CG2 3.87Å; L387-T390 HydrophobicContact CB-CG2 3.92Å; T390-A392 HydrophobicContact CG2-CB 4.44Å; T390-A392 PolarHBondContact OG1-N 3.29Å; T390-E407 WeakPolarHBondContact CA-OE2 3.27Å; T390-E407 WeakPolarHBondContact CB-OE2 3.47Å; T390-E407 PolarHBondContact OG1-OE2 3.17Å | ||
| 391 | T | 98.6 | Very high | 95.9 | Very high | 97 Ų | 97 | 54.4 Ų | 54.4 | 60% | 0.595 | 33% | 0.331 | S | S | * | . | trans | -97.8 | 2.9 | 172 | 67.1 | 0 | 0 | 0 | 0 | 112.7 | E407 | T391-E407 WeakPolarHBondContact OG1-CB 3.14Å; T391-E407 WeakPolarHBondContact OG1-CG 3.42Å | ||
| 392 | A | 98.7 | Very high | 96.2 | Very high | 1 Ų | 1 | 51.7 Ų | 51.7 | 1% | 0.008 | 30% | 0.303 | C | S | . | . | trans | -64.5 | 148.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | V370 T390 E405 E407 | V370-A392 HydrophobicContact CB-CB 4.18Å; V370-A392 HydrophobicContact CG2-CB 3.7Å; T390-A392 HydrophobicContact CG2-CB 4.44Å; T390-A392 PolarHBondContact OG1-N 3.29Å; A392-E405 WeakPolarHBondContact CA-O 3.46Å; A392-E407 HydrophobicContact CB-CB 4.17Å | ||
| 393 | T | 98.7 | Very high | 96.4 | Very high | 42 Ų | 42 | 48.9 Ų | 48.9 | 26% | 0.258 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 151.9 | 179.7 | 74.5 | 0 | 0 | 0 | 0 | 111.1 | N383 L404 E405 | N383-T393 VanDerWaalsContact OD1-CA 3.3Å; N383-T393 WeakPolarHBondContact OD1-CA 3.32Å; N383-T393 WeakPolarHBondContact OD1-CB 3.26Å; T393-L404 WeakPolarHBondContact O-CA 3.29Å; T393-E405 PolarHBondContact N-O 3.07Å; T393-E405 PolarHBondContact O-N 3.03Å; T393-E405 WeakPolarHBondContact OG1-CB 3.45Å |
| 394 | A | 98.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 114.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 107.9 | P372 N383 L384 V385 I402 W403 L404 | P372-A394 HydrophobicContact CG-CB 4.13Å; N383-A394 PolarHBondContact OD1-N 3.4Å; N383-A394 PolarHBondContact OD1-O 3.01Å; L384-A394 HydrophobicContact CB-CB 4.39Å; L384-A394 WeakPolarHBondContact CB-O 3.2Å; L384-A394 WeakPolarHBondContact CG-O 3.3Å; L384-A394 PolarHBondContact N-O 2.99Å; V385-A394 HydrophobicContact CG2-CB 3.77Å; A394-I402 HydrophobicContact CB-CG2 3.92Å; A394-W403 CarbonylContact C-O 3.14Å; A394-W403 WeakPolarHBondContact CA-O 3.2Å; A394-L404 HydrophobicContact CB-CD2 3.5Å; A394-L404 VanDerWaalsContact CB-CD2 3.5Å |
| 395 | V | 98 | Very high | 96.6 | Very high | 39 Ų | 39 | 48.5 Ų | 48.5 | 24% | 0.236 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 122.1 | -175.6 | -178.7 | 0 | 0 | 0 | 0 | 110.1 | H397 I402 W403 | V395-H397 PolarHBondContact O-CD2 2.89Å; V395-I402 WeakPolarHBondContact O-CA 3.38Å; V395-W403 PolarHBondContact N-O 3Å; V395-W403 PolarHBondContact O-N 3.34Å |
| 396 | M | 96.3 | Very high | 96.6 | Very high | 13 Ų | 13 | 48.9 Ų | 48.9 | 6% | 0.064 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 126.4 | 175.4 | -174.5 | -167.4 | -61.3 | 0 | 0 | 111.4 | V375 Q380 G381 L384 M401 I402 | V375-M396 HydrophobicContact CB-CE 4.47Å; V375-M396 HydrophobicContact CG1-CE 2.98Å; Q380-M396 HydrophobicContact CB-SD 4.49Å; G381-M396 PolarHBondContact N-O 2.82Å; L384-M396 HydrophobicContact CD1-CB 4.31Å; M396-M401 CarbonylContact C-O 3.58Å; M396-M401 WeakPolarHBondContact CA-O 3.45Å; M396-I402 HydrophobicContact CB-CG1 4.31Å; M396-I402 HydrophobicContact CG-CG1 4.37Å |
| 397 | H | 94.1 | Very high | 96.7 | Very high | 78 Ų | 78 | 45 Ų | 45 | 36% | 0.361 | 26% | 0.259 | S | S | . | . | trans | -88.5 | 167.4 | 174.6 | -70.9 | -159.2 | 0 | 0 | 0 | 111.7 | V395 D399 G400 M401 | V395-H397 PolarHBondContact O-CD2 2.89Å; H397-D399 WeakPolarHBondContact CB-OD1 3.27Å; H397-D399 PolarHBondContact O-N 2.67Å; H397-G400 PolarHBondContact O-N 2.84Å; H397-M401 HydrophobicContact CB-CE 4.41Å; H397-M401 PolarHBondContact N-O 3Å; H397-M401 WeakPolarHBondContact ND1-CE 3.39Å | ||
| 398 | A | 91.3 | Very high | 96.8 | Very high | 85 Ų | 85 | 47.1 Ų | 47.1 | 70% | 0.702 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -22.9 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q380 G400 | Q380-A398 VanDerWaalsContact NE2-CA 3.34Å; A398-G400 VanDerWaalsContact C-N 3.27Å |
| 399 | D | 90.2 | Very high | 96.9 | Very high | 119 Ų | 119 | 41.8 Ų | 41.8 | 64% | 0.636 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86 | 3.1 | 176.3 | 65.5 | -10.4 | 0 | 0 | 0 | 113.1 | H397 M401 | H397-D399 WeakPolarHBondContact CB-OD1 3.27Å; H397-D399 PolarHBondContact O-N 2.67Å; D399-M401 VanDerWaalsContact C-N 3.3Å; D399-M401 VanDerWaalsContact OD1-CB 3.24Å; D399-M401 WeakPolarHBondContact OD1-CB 3.18Å; D399-M401 PolarHBondContact OD1-N 3.09Å |
| 400 | G | 90.7 | Very high | 96.9 | Very high | 35 Ų | 35 | 40.2 Ų | 40.2 | 36% | 0.361 | 23% | 0.232 | S | C | . | . | S | Bend | trans | 81.4 | 2.3 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | H397 A398 | H397-G400 PolarHBondContact O-N 2.84Å; A398-G400 VanDerWaalsContact C-N 3.27Å |
| 401 | M | 94.9 | Very high | 96.9 | Very high | 24 Ų | 24 | 42.3 Ų | 42.3 | 12% | 0.118 | 25% | 0.247 | C | C | . | . | trans | -69.9 | 140.9 | 170.3 | -176.3 | -168.9 | 70.8 | 0 | 0 | 110.1 | K306 M396 H397 D399 W403 | K306-M401 HydrophobicContact CB-CG 4.11Å; K306-M401 HydrophobicContact CB-SD 3.79Å; K306-M401 HydrophobicContact CD-CG 4.39Å; K306-M401 HydrophobicContact CD-SD 3.68Å; K306-M401 HydrophobicContact CG-CG 4.08Å; K306-M401 HydrophobicContact CG-SD 3.91Å; M396-M401 CarbonylContact C-O 3.58Å; M396-M401 WeakPolarHBondContact CA-O 3.45Å; H397-M401 HydrophobicContact CB-CE 4.41Å; H397-M401 PolarHBondContact N-O 3Å; H397-M401 WeakPolarHBondContact ND1-CE 3.39Å; D399-M401 VanDerWaalsContact C-N 3.3Å; D399-M401 VanDerWaalsContact OD1-CB 3.24Å; D399-M401 WeakPolarHBondContact OD1-CB 3.18Å; D399-M401 PolarHBondContact OD1-N 3.09Å; M401-W403 HydrophobicContact CE-CB 4.31Å; M401-W403 HydrophobicContact CE-CE3 3.82Å; M401-W403 HydrophobicContact SD-CE3 4.37Å | ||
| 402 | I | 97.8 | Very high | 96.8 | Very high | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.005 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 111.8 | 175.3 | -57.9 | 162.8 | 0 | 0 | 0 | 107.7 | K304 F305 K306 V375 L384 A394 V395 M396 L404 | K304-I402 PolarHBondContact O-N 2.97Å; F305-I402 CarbonylContact C-O 3.52Å; F305-I402 WeakPolarHBondContact CA-O 3.29Å; F305-I402 HydrophobicContact CD1-CB 3.69Å; F305-I402 HydrophobicContact CD1-CD1 3.88Å; F305-I402 HydrophobicContact CD1-CG1 4.4Å; F305-I402 HydrophobicContact CD1-CG2 3.75Å; F305-I402 HydrophobicContact CE1-CB 4.02Å; F305-I402 HydrophobicContact CE1-CD1 3.35Å; F305-I402 HydrophobicContact CE1-CG1 4.29Å; F305-I402 HydrophobicContact CE1-CG2 3.96Å; F305-I402 HydrophobicContact CZ-CD1 3.93Å; K306-I402 PolarHBondContact N-O 3.11Å; V375-I402 HydrophobicContact CG1-CD1 3.94Å; V375-I402 HydrophobicContact CG2-CD1 4.03Å; L384-I402 HydrophobicContact CD1-CG2 4.4Å; A394-I402 HydrophobicContact CB-CG2 3.92Å; V395-I402 WeakPolarHBondContact O-CA 3.38Å; M396-I402 HydrophobicContact CB-CG1 4.31Å; M396-I402 HydrophobicContact CG-CG1 4.37Å; I402-L404 HydrophobicContact CG2-CD2 4.1Å |
| 403 | W | 98.4 | Very high | 96.6 | Very high | 74 Ų | 74 | 42.4 Ų | 42.4 | 28% | 0.28 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 123.9 | 179.2 | -171.7 | -96 | 0 | 0 | 0 | 110.7 | K306 G307 A308 A394 V395 M401 E405 | K306-W403 HydrophobicContact CB-CE3 4.11Å; K306-W403 HydrophobicContact CB-CZ3 4.25Å; K306-W403 CarbonylContact O-C 3.3Å; K306-W403 WeakPolarHBondContact O-CA 3.25Å; G307-W403 VanDerWaalsContact C-CH2 3.42Å; A308-W403 HydrophobicContact CB-CZ2 4.44Å; A394-W403 CarbonylContact C-O 3.14Å; A394-W403 WeakPolarHBondContact CA-O 3.2Å; V395-W403 PolarHBondContact N-O 3Å; V395-W403 PolarHBondContact O-N 3.34Å; M401-W403 HydrophobicContact CE-CB 4.31Å; M401-W403 HydrophobicContact CE-CE3 3.82Å; M401-W403 HydrophobicContact SD-CE3 4.37Å; W403-E405 PolarHBondContact NE1-OE1 3.1Å |
| 404 | L | 98.7 | Very high | 96.5 | Very high | 1 Ų | 1 | 42.7 Ų | 42.7 | 1% | 0.005 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 127.8 | 179.6 | -54.6 | -172.8 | 0 | 0 | 0 | 110.7 | F290 F305 K306 Y369 I371 T393 A394 I402 | F290-L404 HydrophobicContact CB-CD1 4.37Å; F290-L404 HydrophobicContact CD2-CD1 3.61Å; F290-L404 HydrophobicContact CD2-CG 4.33Å; F290-L404 HydrophobicContact CE2-CB 4.34Å; F290-L404 HydrophobicContact CE2-CD1 3.95Å; F290-L404 HydrophobicContact CE2-CG 4.46Å; F290-L404 HydrophobicContact CG-CD1 3.93Å; F305-L404 HydrophobicContact CB-CD1 4.17Å; F305-L404 HydrophobicContact CB-CG 4.41Å; F305-L404 HydrophobicContact CD1-CD2 4.19Å; K306-L404 PolarHBondContact O-N 3.34Å; Y369-L404 HydrophobicContact CD1-CB 3.92Å; Y369-L404 HydrophobicContact CD1-CD1 4.34Å; Y369-L404 HydrophobicContact CE1-CB 4.26Å; I371-L404 HydrophobicContact CD1-CD1 4.29Å; I371-L404 HydrophobicContact CG1-CD1 3.74Å; T393-L404 WeakPolarHBondContact O-CA 3.29Å; A394-L404 HydrophobicContact CB-CD2 3.5Å; A394-L404 VanDerWaalsContact CB-CD2 3.5Å; I402-L404 HydrophobicContact CG2-CD2 4.1Å |
| 405 | E | 98.6 | Very high | 96.5 | Very high | 83 Ų | 83 | 44.1 Ų | 44.1 | 39% | 0.388 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 131.4 | 166.4 | -67.9 | -68.6 | 171 | 0 | 0 | 109.7 | A392 T393 W403 | A392-E405 WeakPolarHBondContact CA-O 3.46Å; T393-E405 PolarHBondContact N-O 3.07Å; T393-E405 PolarHBondContact O-N 3.03Å; T393-E405 WeakPolarHBondContact OG1-CB 3.45Å; W403-E405 PolarHBondContact NE1-OE1 3.1Å |
| 406 | P | 98.7 | Very high | 96.5 | Very high | 23 Ų | 23 | 42.4 Ų | 42.4 | 15% | 0.149 | 24% | 0.244 | C | C | . | . | P | Polyproline II helix | trans | -78.4 | 154.9 | -175.8 | 31.8 | -34.2 | 0 | 0 | 0 | 112.5 | R367 R368 Y369 | R367-P406 HydrophobicContact CB-CB 3.84Å; R367-P406 HydrophobicContact CG-CB 4.04Å; R367-P406 HydrophobicContact CG-CG 4.22Å; R368-P406 CarbonylContact O-C 3.54Å; R368-P406 VanDerWaalsContact O-CA 3.23Å; R368-P406 WeakPolarHBondContact O-CA 3.47Å; Y369-P406 HydrophobicContact CD1-CB 4.08Å; Y369-P406 HydrophobicContact CD2-CB 4.26Å; Y369-P406 HydrophobicContact CE1-CB 3.72Å; Y369-P406 HydrophobicContact CE1-CG 4.06Å; Y369-P406 HydrophobicContact CE2-CB 3.9Å; Y369-P406 HydrophobicContact CG-CB 4.34Å |
| 407 | E | 98.8 | Very high | 96.6 | Very high | 9 Ų | 9 | 42 Ų | 42 | 4% | 0.042 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 126.4 | 152.1 | 167.6 | 173.8 | -149 | 0 | 0 | 109.4 | R368 T390 T391 A392 L409 K456 | R368-E407 HydrophobicContact CB-CB 4.16Å; R368-E407 PolarHBondContact N-O 3.03Å; R368-E407 PolarHBondContact O-N 2.7Å; T390-E407 WeakPolarHBondContact CA-OE2 3.27Å; T390-E407 WeakPolarHBondContact CB-OE2 3.47Å; T390-E407 PolarHBondContact OG1-OE2 3.17Å; T391-E407 WeakPolarHBondContact OG1-CB 3.14Å; T391-E407 WeakPolarHBondContact OG1-CG 3.42Å; A392-E407 HydrophobicContact CB-CB 4.17Å; E407-L409 HydrophobicContact CG-CD2 4.02Å; E407-K456 WeakPolarHBondContact OE1-CE 3.16Å; E407-K456 IonicContact OE1-NZ 3.69Å; E407-K456 PolarHBondContact OE1-NZ 2.8Å |
| 408 | V | 98.8 | Very high | 96.8 | Very high | 51 Ų | 51 | 38.6 Ų | 38.6 | 31% | 0.309 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 125.2 | 174 | 178.8 | 0 | 0 | 0 | 0 | 109.8 | E365 K456 | E365-V408 VanDerWaalsContact CD-CG2 3.4Å; E365-V408 HydrophobicContact CG-CB 4.42Å; E365-V408 HydrophobicContact CG-CG1 3.54Å; E365-V408 HydrophobicContact CG-CG2 4.14Å; E365-V408 VanDerWaalsContact OE1-CG2 3.29Å; E365-V408 WeakPolarHBondContact OE1-CG2 3.23Å; V408-K456 PolarHBondContact O-NZ 3.41Å; V408-K456 VanDerWaalsContact O-NZ 3.15Å |
| 409 | L | 98.8 | Very high | 97.2 | Very high | 6 Ų | 6 | 36.1 Ų | 36.1 | 3% | 0.031 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | -37.2 | 178.7 | -57 | -177 | 0 | 0 | 0 | 112.3 | D328 V366 R368 E407 L451 V453 | D328-L409 HydrophobicContact CB-CD1 4.36Å; V366-L409 HydrophobicContact CB-CB 4.24Å; V366-L409 HydrophobicContact CG1-CB 3.91Å; V366-L409 HydrophobicContact CG1-CD1 4.05Å; V366-L409 HydrophobicContact CG1-CG 4.4Å; V366-L409 PolarHBondContact O-N 2.64Å; R368-L409 HydrophobicContact CB-CD1 4.07Å; R368-L409 HydrophobicContact CB-CD2 4.15Å; R368-L409 HydrophobicContact CB-CG 4.07Å; E407-L409 HydrophobicContact CG-CD2 4.02Å; L409-L451 HydrophobicContact CB-CD2 4.22Å; L409-V453 HydrophobicContact CD1-CB 4.03Å; L409-V453 HydrophobicContact CD1-CG1 4.17Å |
| 410 | F | 98.7 | Very high | 97.6 | Very high | 46 Ų | 46 | 31.1 Ų | 31.1 | 20% | 0.202 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 134.2 | 177.8 | 173.5 | -94 | 0 | 0 | 0 | 110.5 | E365 V366 Q415 F417 L451 T458 | E365-F410 WeakPolarHBondContact CA-O 3.48Å; E365-F410 WeakPolarHBondContact CG-O 3.34Å; V366-F410 HydrophobicContact CB-CB 3.94Å; V366-F410 HydrophobicContact CG2-CB 3.91Å; V366-F410 HydrophobicContact CG2-CD1 4.23Å; V366-F410 PolarHBondContact N-O 3.21Å; V366-F410 PolarHBondContact O-N 2.96Å; F410-Q415 WeakPolarHBondContact CE1-O 3.42Å; F410-F417 HydrophobicContact CD1-CB 3.7Å; F410-F417 HydrophobicContact CE1-CB 3.88Å; F410-F417 HydrophobicContact CG-CB 4.41Å; F410-L451 HydrophobicContact CB-CD1 4.47Å; F410-L451 HydrophobicContact CB-CD2 4.24Å; F410-T458 HydrophobicContact CD2-CG2 4.03Å; F410-T458 HydrophobicContact CE2-CG2 4.44Å |
| 411 | S | 97.9 | Very high | 98 | Very high | 62 Ų | 62 | 31.6 Ų | 31.6 | 43% | 0.434 | 17% | 0.166 | S | C | . | . | trans | -151 | 110.8 | 178.3 | -159.2 | 0 | 0 | 0 | 0 | 109.8 | E365 | E365-S411 WeakPolarHBondContact OE2-CB 3.11Å; E365-S411 PolarHBondContact OE2-OG 2.9Å | ||
| 412 | G | 95.5 | Very high | 98.2 | Very high | 10 Ų | 10 | 30.7 Ų | 30.7 | 10% | 0.103 | 16% | 0.162 | C | C | . | . | B | Isolated β-bridge | trans | -125.2 | 133 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | Q363 R414 Q415 | Q363-G412 PolarHBondContact NE2-O 2.96Å; G412-R414 PolarHBondContact O-N 3.18Å; G412-Q415 PolarHBondContact O-N 2.77Å |
| 413 | P | 96.4 | Very high | 98.2 | Very high | 89 Ų | 89 | 30.9 Ų | 30.9 | 58% | 0.578 | 16% | 0.163 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | 111 | -177 | -25.2 | 34 | 0 | 0 | 0 | 112.1 | Q415 | P413-Q415 PolarHBondContact O-N 2.8Å; P413-Q415 VanDerWaalsContact O-N 3.12Å |
| 414 | R | 96.3 | Very high | 98.1 | Very high | 49 Ų | 49 | 30.9 Ų | 30.9 | 19% | 0.185 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.2 | 24 | -174.2 | -47.5 | -61.2 | 140.5 | 138.4 | -5.6 | 114.7 | A358 M359 A361 G412 H442 | A358-R414 PolarHBondContact O-NH1 3.27Å; M359-R414 VanDerWaalsContact C-NH1 3.3Å; M359-R414 PolarHBondContact O-NH1 3.38Å; M359-R414 HydrophobicContact SD-CG 4.34Å; A361-R414 PolarHBondContact O-NH1 2.83Å; A361-R414 PolarHBondContact O-NH2 2.9Å; G412-R414 PolarHBondContact O-N 3.18Å; R414-H442 PolarHBondContact O-N 3.49Å |
| 415 | Q | 97.3 | Very high | 97.9 | Very high | 29 Ų | 29 | 37.4 Ų | 37.4 | 14% | 0.136 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 105.7 | 172.8 | -56.9 | -53.5 | -30.3 | 0 | 0 | 108.2 | F410 G412 P413 L440 N441 R447 | F410-Q415 WeakPolarHBondContact CE1-O 3.42Å; G412-Q415 PolarHBondContact O-N 2.77Å; P413-Q415 PolarHBondContact O-N 2.8Å; P413-Q415 VanDerWaalsContact O-N 3.12Å; Q415-L440 CarbonylContact C-O 3.43Å; Q415-L440 VanDerWaalsContact CA-O 3.32Å; Q415-L440 WeakPolarHBondContact CA-O 3.27Å; Q415-N441 PolarHBondContact NE2-OD1 2.97Å; Q415-N441 VanDerWaalsContact OE1-CA 3.28Å; Q415-R447 VanDerWaalsContact CD-NH2 3.33Å |
| 416 | A | 98.5 | Very high | 97.8 | Very high | 3 Ų | 3 | 37.8 Ų | 37.8 | 3% | 0.025 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 142 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | W332 P364 E418 G439 L440 | W332-A416 HydrophobicContact CH2-CB 3.83Å; W332-A416 HydrophobicContact CZ2-CB 3.92Å; P364-A416 HydrophobicContact CB-CB 3.53Å; P364-A416 HydrophobicContact CG-CB 3.75Å; A416-E418 HydrophobicContact CB-CB 4.35Å; A416-E418 HydrophobicContact CB-CG 3.88Å; A416-G439 VanDerWaalsContact O-CA 3.25Å; A416-G439 WeakPolarHBondContact O-CA 3.39Å; A416-L440 HydrophobicContact CB-CB 3.89Å; A416-L440 HydrophobicContact CB-CD1 4.26Å; A416-L440 HydrophobicContact CB-CG 4.25Å; A416-L440 PolarHBondContact N-O 3.29Å; A416-L440 PolarHBondContact O-N 3.02Å |
| 417 | F | 98.8 | Very high | 97.7 | Very high | 6 Ų | 6 | 39.6 Ų | 39.6 | 3% | 0.026 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 109.3 | 153.5 | 177.6 | -79.1 | 0 | 0 | 0 | 104.9 | I316 C330 V366 F410 P420 A435 Y436 C449 L451 | I316-F417 HydrophobicContact CD1-CD1 4.45Å; I316-F417 HydrophobicContact CD1-CE1 4.13Å; C330-F417 PolarHBondContact SG-O 2.91Å; V366-F417 HydrophobicContact CG2-CB 3.7Å; V366-F417 HydrophobicContact CG2-CD1 3.74Å; V366-F417 HydrophobicContact CG2-CG 3.97Å; F410-F417 HydrophobicContact CD1-CB 3.7Å; F410-F417 HydrophobicContact CE1-CB 3.88Å; F410-F417 HydrophobicContact CG-CB 4.41Å; F417-P420 HydrophobicContact CE1-CB 4.01Å; F417-A435 HydrophobicContact CE1-CB 4.26Å; F417-A435 HydrophobicContact CZ-CB 3.84Å; F417-Y436 WeakPolarHBondContact CZ-O 3.25Å; F417-C449 HydrophobicContact CD2-CB 3.63Å; F417-C449 HydrophobicContact CE2-CB 3.83Å; F417-L451 HydrophobicContact CD2-CB 4.49Å; F417-L451 HydrophobicContact CE2-CB 3.92Å; F417-L451 HydrophobicContact CZ-CB 4.26Å |
| 418 | E | 98.6 | Very high | 97.7 | Very high | 5 Ų | 5 | 40.1 Ų | 40.1 | 2% | 0.023 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 175.7 | -174.3 | -94.2 | -67.2 | -178.1 | 0 | 0 | 110.8 | H314 W332 A416 G437 L438 L440 | H314-E418 IonicContact CE1-OE2 3.23Å; H314-E418 IonicContact CG-OE2 2.71Å; H314-E418 IonicContact ND1-OE2 3.5Å; H314-E418 PolarHBondContact ND1-OE2 3.18Å; W332-E418 HydrophobicContact CZ2-CG 3.94Å; W332-E418 PolarHBondContact NE1-OE1 3.41Å; A416-E418 HydrophobicContact CB-CB 4.35Å; A416-E418 HydrophobicContact CB-CG 3.88Å; E418-G437 CarbonylContact O-C 3.32Å; E418-G437 WeakPolarHBondContact O-CA 3.37Å; E418-L438 PolarHBondContact N-O 3.02Å; E418-L438 PolarHBondContact O-N 2.77Å; E418-L440 HydrophobicContact CB-CD1 3.83Å; E418-L440 HydrophobicContact CB-CG 4.18Å; E418-L440 HydrophobicContact CG-CD1 4.04Å |
| 419 | F | 98.8 | Very high | 97.7 | Very high | 34 Ų | 34 | 38.1 Ų | 38.1 | 15% | 0.149 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 49 | 55.6 | -174.1 | -61.3 | -97.8 | 0 | 0 | 0 | 111.5 | L438 L440 E470 F526 H527 | F419-L438 HydrophobicContact CB-CB 3.95Å; F419-L438 HydrophobicContact CD2-CB 4.05Å; F419-L438 HydrophobicContact CD2-CD2 3.73Å; F419-L438 HydrophobicContact CD2-CG 4.41Å; F419-L438 HydrophobicContact CE2-CD2 4.13Å; F419-L438 HydrophobicContact CG-CB 4.31Å; F419-L438 HydrophobicContact CG-CD2 4.21Å; F419-L440 HydrophobicContact CE2-CD1 4.45Å; F419-E470 HydrophobicContact CB-CB 3.82Å; F419-E470 HydrophobicContact CB-CG 3.88Å; F419-E470 HydrophobicContact CD1-CB 4.23Å; F419-E470 HydrophobicContact CG-CB 4.34Å; F419-F526 WeakPolarHBondContact CD1-O 3.41Å; F419-F526 HydrophobicContact CE1-CB 4.15Å; F419-F526 HydrophobicContact CE1-CD1 4.32Å; F419-F526 HydrophobicContact CZ-CD1 4.33Å; F419-H527 AromaticContact CD1-CE1 3.23Å; F419-H527 WeakPolarHBondContact CD1-CE1 3.33Å; F419-H527 AromaticContact CD1-ND1 3.82Å; F419-H527 AromaticContact CD1-NE2 3.85Å; F419-H527 AromaticContact CE1-CE1 3.57Å; F419-H527 AromaticContact CE1-NE2 3.69Å |
| 420 | P | 98.8 | Very high | 97.6 | Very high | 14 Ų | 14 | 42.6 Ų | 42.6 | 9% | 0.091 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 141.5 | -172.3 | 32.2 | -36.6 | 0 | 0 | 0 | 111.4 | H314 I316 F417 Y436 | H314-P420 HydrophobicContact CB-CG 3.5Å; I316-P420 HydrophobicContact CB-CB 4.22Å; I316-P420 HydrophobicContact CD1-CB 4.46Å; I316-P420 HydrophobicContact CG1-CB 3.71Å; I316-P420 HydrophobicContact CG1-CG 3.95Å; I316-P420 HydrophobicContact CG2-CB 4.21Å; F417-P420 HydrophobicContact CE1-CB 4.01Å; P420-Y436 CarbonylContact C-O 3.44Å; P420-Y436 VanDerWaalsContact CA-O 3.29Å; P420-Y436 WeakPolarHBondContact CA-O 3.28Å |
| 421 | Q | 98.7 | Very high | 97.6 | Very high | 45 Ų | 45 | 43 Ų | 43 | 21% | 0.21 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 149.6 | 175.7 | -72.4 | -67.8 | -24.6 | 0 | 0 | 109.1 | Y436 E470 P471 L472 | Q421-Y436 PolarHBondContact N-O 3.12Å; Q421-Y436 PolarHBondContact O-N 3.21Å; Q421-E470 HydrophobicContact CG-CG 3.78Å; Q421-E470 VanDerWaalsContact NE2-CD 3.34Å; Q421-E470 PolarHBondContact NE2-OE1 3.18Å; Q421-P471 VanDerWaalsContact CB-O 3.29Å; Q421-P471 WeakPolarHBondContact CB-O 3.29Å; Q421-P471 WeakPolarHBondContact CG-O 3.31Å; Q421-L472 HydrophobicContact CG-CD2 3.96Å |
| 422 | I | 98.8 | Very high | 97.6 | Very high | 5 Ų | 5 | 40.1 Ų | 40.1 | 3% | 0.026 | 20% | 0.199 | C | C | . | . | trans | -135.3 | 177 | 176.6 | 59.5 | 162.3 | 0 | 0 | 0 | 108.8 | I316 N317 Y424 Y432 A435 | I316-I422 HydrophobicContact CG2-CG2 4.09Å; N317-I422 HydrophobicContact CB-CD1 4.11Å; I422-Y424 HydrophobicContact CD1-CD2 4.07Å; I422-Y424 HydrophobicContact CG1-CD2 4.11Å; I422-Y424 PolarHBondContact O-N 2.9Å; I422-Y432 HydrophobicContact CG2-CD2 4.05Å; I422-Y432 HydrophobicContact CG2-CE2 3.8Å; I422-A435 HydrophobicContact CG2-CB 4.19Å | ||
| 423 | N | 98.2 | Very high | 97.8 | Very high | 4 Ų | 4 | 40.7 Ų | 40.7 | 2% | 0.021 | 20% | 0.202 | C | C | . | . | trans | -71.1 | 72.2 | 161.7 | -175.5 | -9 | 0 | 0 | 0 | 110 | Q425 K426 Y427 F473 Q475 E482 | N423-Q425 PolarHBondContact O-N 2.99Å; N423-K426 PolarHBondContact O-N 2.95Å; N423-Y427 HydrophobicContact CB-CD2 3.86Å; N423-Y427 WeakPolarHBondContact O-CB 3.5Å; N423-Y427 PolarHBondContact O-N 2.9Å; N423-F473 HydrophobicContact CB-CD1 3.76Å; N423-F473 HydrophobicContact CB-CE1 3.47Å; N423-F473 VanDerWaalsContact CB-CE1 3.47Å; N423-F473 HydrophobicContact CB-CZ 4.02Å; N423-F473 WeakPolarHBondContact ND2-CE1 3.04Å; N423-Q475 VanDerWaalsContact ND2-CD 3.31Å; N423-Q475 PolarHBondContact ND2-NE2 2.9Å; N423-Q475 PolarHBondContact ND2-OE1 2.82Å; N423-Q475 VanDerWaalsContact ND2-OE1 3.13Å; N423-Q475 PolarHBondContact OD1-OE1 2.63Å; N423-E482 PolarHBondContact ND2-O 3.33Å | ||
| 424 | Y | 97.3 | Very high | 97.9 | Very high | 74 Ų | 74 | 38.9 Ų | 38.9 | 29% | 0.29 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -65.2 | -37.2 | -164.2 | -173.9 | -89.4 | 0 | 0 | 0 | 112.6 | H183 I184 I422 K426 G428 | H183-Y424 AromaticContact ND1-CE2 3.76Å; H183-Y424 AromaticContact ND1-CZ 3.63Å; H183-Y424 PolarHBondContact ND1-OH 3.02Å; I184-Y424 WeakPolarHBondContact O-CE1 3.42Å; I422-Y424 HydrophobicContact CD1-CD2 4.07Å; I422-Y424 HydrophobicContact CG1-CD2 4.11Å; I422-Y424 PolarHBondContact O-N 2.9Å; Y424-K426 VanDerWaalsContact C-N 3.29Å; Y424-K426 PolarHBondContact O-N 2.78Å; Y424-G428 WeakPolarHBondContact O-CA 3.46Å; Y424-G428 PolarHBondContact O-N 2.94Å |
| 425 | Q | 94.1 | Very high | 98 | Very high | 138 Ų | 138 | 36.6 Ų | 36.6 | 65% | 0.645 | 18% | 0.175 | S | C | * | . | H | α-helix | trans | -60.8 | -35.9 | -179.5 | -69.7 | -173.6 | -14.8 | 0 | 0 | 113.3 | Q186 N423 | Q186-Q425 PolarHBondContact NE2-O 2.82Å; N423-Q425 PolarHBondContact O-N 2.99Å |
| 426 | K | 95.5 | Very high | 98.1 | Very high | 91 Ų | 91 | 35.2 Ų | 35.2 | 40% | 0.396 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -97.8 | -34.3 | 180 | -72.3 | -167.4 | -175.3 | 169.4 | 0 | 113.3 | N423 Y424 Q475 G479 | N423-K426 PolarHBondContact O-N 2.95Å; Y424-K426 VanDerWaalsContact C-N 3.29Å; Y424-K426 PolarHBondContact O-N 2.78Å; K426-Q475 VanDerWaalsContact NZ-CD 3.29Å; K426-G479 PolarHBondContact NZ-O 2.79Å |
| 427 | Y | 97.8 | Very high | 98.1 | Very high | 61 Ų | 61 | 35.1 Ų | 35.1 | 24% | 0.239 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -120.2 | -4 | -167.6 | -63.9 | -89.6 | 0 | 0 | 0 | 114.8 | N317 N423 G429 K430 N431 E482 | N317-Y427 PolarHBondContact ND2-O 2.78Å; N423-Y427 HydrophobicContact CB-CD2 3.86Å; N423-Y427 WeakPolarHBondContact O-CB 3.5Å; N423-Y427 PolarHBondContact O-N 2.9Å; Y427-G429 PolarHBondContact O-N 2.89Å; Y427-K430 PolarHBondContact O-N 2.84Å; Y427-K430 VanDerWaalsContact O-O 3.11Å; Y427-N431 WeakPolarHBondContact CD1-O 3.35Å; Y427-E482 HydrophobicContact CD1-CG 4.39Å; Y427-E482 HydrophobicContact CD2-CG 3.86Å; Y427-E482 HydrophobicContact CE1-CB 4.42Å; Y427-E482 HydrophobicContact CE1-CG 4.26Å; Y427-E482 HydrophobicContact CE2-CB 3.91Å; Y427-E482 HydrophobicContact CE2-CG 3.71Å; Y427-E482 HydrophobicContact CG-CG 4.2Å |
| 428 | G | 98.1 | Very high | 98.1 | Very high | 20 Ų | 20 | 35.1 Ų | 35.1 | 21% | 0.206 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | 127.7 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | Y424 K430 | Y424-G428 WeakPolarHBondContact O-CA 3.46Å; Y424-G428 PolarHBondContact O-N 2.94Å; G428-K430 VanDerWaalsContact C-N 3.26Å; G428-K430 PolarHBondContact O-N 3.3Å |
| 429 | G | 98.1 | Very high | 98.1 | Very high | 10 Ų | 10 | 34.9 Ų | 34.9 | 10% | 0.103 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 81.1 | 0.4 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | M246 N317 T318 Y427 | M246-G429 WeakPolarHBondContact O-CA 3.37Å; N317-G429 PolarHBondContact OD1-N 3.33Å; T318-G429 CarbonylContact O-C 3.59Å; T318-G429 WeakPolarHBondContact O-CA 3.47Å; Y427-G429 PolarHBondContact O-N 2.89Å |
| 430 | K | 98.3 | Very high | 98.1 | Very high | 100 Ų | 100 | 34.1 Ų | 34.1 | 44% | 0.435 | 16% | 0.164 | S | C | . | . | S | Bend | trans | -130.6 | 161.2 | -170.5 | -62.8 | 179.9 | -175.6 | 172.6 | 0 | 112.1 | N317 Y427 G428 Y432 | N317-K430 PolarHBondContact ND2-O 2.78Å; Y427-K430 PolarHBondContact O-N 2.84Å; Y427-K430 VanDerWaalsContact O-O 3.11Å; G428-K430 VanDerWaalsContact C-N 3.26Å; G428-K430 PolarHBondContact O-N 3.3Å; K430-Y432 PolarHBondContact O-N 3.06Å |
| 431 | N | 97.8 | Very high | 98.1 | Very high | 55 Ų | 55 | 33.5 Ų | 33.5 | 29% | 0.294 | 16% | 0.16 | S | C | . | . | trans | -59.7 | 132.8 | 176.7 | -160.5 | -19.7 | 0 | 0 | 0 | 110.2 | Y319 Y427 R454 | Y319-N431 HydrophobicContact CD2-CB 3.77Å; Y319-N431 HydrophobicContact CE2-CB 3.93Å; Y319-N431 HydrophobicContact CG-CB 4.28Å; Y427-N431 WeakPolarHBondContact CD1-O 3.35Å; N431-R454 PolarHBondContact OD1-NH2 3.48Å | ||
| 432 | Y | 98.7 | Very high | 98 | Very high | 1 Ų | 1 | 31.7 Ų | 31.7 | 0% | 0.004 | 15% | 0.152 | C | C | . | . | trans | -149.1 | 172.9 | -166.2 | 82.4 | -64 | 0 | 0 | 0 | 111 | I316 N317 Y319 D328 I422 K430 Y434 A435 V453 R454 | I316-Y432 HydrophobicContact CG2-CE2 4.24Å; I316-Y432 VanDerWaalsContact CG2-OH 3.31Å; I316-Y432 WeakPolarHBondContact CG2-OH 3.46Å; N317-Y432 HydrophobicContact CB-CD1 3.98Å; N317-Y432 HydrophobicContact CB-CE1 3.55Å; N317-Y432 HydrophobicContact CB-CE2 4.19Å; N317-Y432 HydrophobicContact CB-CG 4.5Å; N317-Y432 WeakPolarHBondContact ND2-CD1 3.47Å; Y319-Y432 HydrophobicContact CD1-CD1 4.17Å; Y319-Y432 HydrophobicContact CD1-CE1 4.37Å; Y319-Y432 HydrophobicContact CE1-CD1 4.11Å; Y319-Y432 HydrophobicContact CE1-CE1 4.14Å; D328-Y432 WeakPolarHBondContact CB-OH 3.44Å; D328-Y432 VanDerWaalsContact OD2-CE1 3.25Å; D328-Y432 WeakPolarHBondContact OD2-CE1 3.37Å; D328-Y432 VanDerWaalsContact OD2-CZ 3.29Å; D328-Y432 PolarHBondContact OD2-OH 2.96Å; I422-Y432 HydrophobicContact CG2-CD2 4.05Å; I422-Y432 HydrophobicContact CG2-CE2 3.8Å; K430-Y432 PolarHBondContact O-N 3.06Å; Y432-Y434 WeakPolarHBondContact CD2-O 3.34Å; Y432-A435 HydrophobicContact CE2-CB 4.33Å; Y432-V453 HydrophobicContact CD1-CG2 4.44Å; Y432-V453 HydrophobicContact CD2-CG2 4.37Å; Y432-V453 HydrophobicContact CE1-CG2 4.01Å; Y432-V453 HydrophobicContact CE2-CG1 4.1Å; Y432-V453 HydrophobicContact CE2-CG2 3.96Å; Y432-R454 PolarHBondContact O-NE 2.96Å; Y432-R454 PolarHBondContact O-NH2 3.15Å; Y432-R454 VanDerWaalsContact O-NH2 3.08Å | ||
| 433 | S | 98.6 | Very high | 98 | Very high | 22 Ų | 22 | 32.7 Ų | 32.7 | 15% | 0.154 | 16% | 0.156 | C | C | . | . | trans | -131.7 | -27 | -172 | -42.3 | 0 | 0 | 0 | 0 | 113.4 | N452 V453 R454 E482 | S433-N452 CarbonylContact O-C 3.52Å; S433-N452 VanDerWaalsContact O-CA 3.23Å; S433-N452 WeakPolarHBondContact O-CA 3.36Å; S433-V453 PolarHBondContact O-N 2.77Å; S433-R454 PolarHBondContact OG-NE 2.65Å; S433-E482 WeakPolarHBondContact CA-OE2 3.39Å; S433-E482 WeakPolarHBondContact CB-OE2 3.16Å; S433-E482 PolarHBondContact N-OE1 2.97Å; S433-E482 PolarHBondContact N-OE2 3.09Å; S433-E482 PolarHBondContact OG-OE2 2.95Å | ||
| 434 | Y | 98.9 | Very high | 98 | Very high | 51 Ų | 51 | 32.5 Ų | 32.5 | 20% | 0.2 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 130.8 | -172.8 | -57.4 | -67.3 | 0 | 0 | 0 | 112.6 | Y432 L451 N452 E482 D483 | Y432-Y434 WeakPolarHBondContact CD2-O 3.34Å; Y434-L451 WeakPolarHBondContact CA-O 3.29Å; Y434-N452 HydrophobicContact CD1-CB 4.14Å; Y434-N452 HydrophobicContact CE1-CB 4.01Å; Y434-E482 HydrophobicContact CD2-CB 3.96Å; Y434-E482 HydrophobicContact CD2-CG 3.96Å; Y434-E482 HydrophobicContact CE2-CB 4.34Å; Y434-E482 PolarHBondContact N-OE1 3.15Å; Y434-D483 HydrophobicContact CD2-CB 3.84Å; Y434-D483 HydrophobicContact CE2-CB 4.14Å; Y434-D483 HydrophobicContact CG-CB 4.35Å |
| 435 | A | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 146.6 | 165.3 | 0 | 0 | 0 | 0 | 0 | 110 | I316 F417 I422 Y432 K450 L451 V453 | I316-A435 HydrophobicContact CG2-CB 3.64Å; F417-A435 HydrophobicContact CE1-CB 4.26Å; F417-A435 HydrophobicContact CZ-CB 3.84Å; I422-A435 HydrophobicContact CG2-CB 4.19Å; Y432-A435 HydrophobicContact CE2-CB 4.33Å; A435-K450 CarbonylContact O-C 3.54Å; A435-K450 WeakPolarHBondContact O-CA 3.4Å; A435-L451 PolarHBondContact N-O 2.81Å; A435-L451 PolarHBondContact O-N 3Å; A435-V453 HydrophobicContact CB-CG1 4.29Å |
| 436 | Y | 98.9 | Very high | 98.2 | Very high | 1 Ų | 1 | 22.9 Ų | 22.9 | 0% | 0.004 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 148.1 | 173.3 | -48.3 | -80 | 0 | 0 | 0 | 108.3 | F417 P420 Q421 C449 K450 F473 D483 L487 A507 | F417-Y436 WeakPolarHBondContact CZ-O 3.25Å; P420-Y436 CarbonylContact C-O 3.44Å; P420-Y436 VanDerWaalsContact CA-O 3.29Å; P420-Y436 WeakPolarHBondContact CA-O 3.28Å; Q421-Y436 PolarHBondContact N-O 3.12Å; Q421-Y436 PolarHBondContact O-N 3.21Å; Y436-C449 CarbonylContact C-O 3.55Å; Y436-C449 VanDerWaalsContact CA-O 3.3Å; Y436-C449 WeakPolarHBondContact CA-O 3.48Å; Y436-K450 HydrophobicContact CD1-CB 3.99Å; Y436-K450 HydrophobicContact CD1-CD 4.39Å; Y436-K450 HydrophobicContact CD1-CG 3.9Å; Y436-K450 HydrophobicContact CE1-CB 4.24Å; Y436-K450 HydrophobicContact CE1-CD 3.8Å; Y436-K450 HydrophobicContact CE1-CG 3.73Å; Y436-F473 HydrophobicContact CD2-CB 4.29Å; Y436-F473 HydrophobicContact CD2-CD2 4.13Å; Y436-F473 HydrophobicContact CE2-CB 4.29Å; Y436-F473 AromaticContact CE2-CD2 3.38Å; Y436-F473 HydrophobicContact CE2-CD2 3.38Å; Y436-F473 AromaticContact CE2-CE2 3.97Å; Y436-F473 HydrophobicContact CE2-CE2 3.97Å; Y436-F473 HydrophobicContact CE2-CG 4.07Å; Y436-F473 AromaticContact CZ-CD2 3.75Å; Y436-D483 WeakPolarHBondContact OH-CA 3.14Å; Y436-D483 WeakPolarHBondContact OH-CB 3.43Å; Y436-L487 HydrophobicContact CD1-CD1 3.51Å; Y436-L487 HydrophobicContact CD1-CD2 3.74Å; Y436-L487 HydrophobicContact CD1-CG 4.17Å; Y436-L487 HydrophobicContact CD2-CD2 3.81Å; Y436-L487 HydrophobicContact CE1-CD1 4.1Å; Y436-L487 HydrophobicContact CE1-CD2 4.07Å; Y436-L487 HydrophobicContact CE1-CG 4.47Å; Y436-L487 HydrophobicContact CE2-CD2 4.17Å; Y436-L487 HydrophobicContact CG-CD1 4Å; Y436-L487 HydrophobicContact CG-CD2 3.59Å; Y436-L487 HydrophobicContact CG-CG 4.43Å; Y436-A507 HydrophobicContact CE1-CB 4.05Å; Y436-A507 WeakPolarHBondContact CE1-O 3.45Å |
| 437 | G | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.2 | 161 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | E418 C449 | E418-G437 CarbonylContact O-C 3.32Å; E418-G437 WeakPolarHBondContact O-CA 3.37Å; G437-C449 PolarHBondContact N-O 2.86Å; G437-C449 PolarHBondContact O-N 3.17Å |
| 438 | L | 98.9 | Very high | 98.4 | Very high | 7 Ų | 7 | 17.2 Ų | 17.2 | 4% | 0.037 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 125.3 | 169.2 | -175.7 | 57.1 | 0 | 0 | 0 | 109.5 | E418 F419 L440 P445 I448 P468 | E418-L438 PolarHBondContact N-O 3.02Å; E418-L438 PolarHBondContact O-N 2.77Å; F419-L438 HydrophobicContact CB-CB 3.95Å; F419-L438 HydrophobicContact CD2-CB 4.05Å; F419-L438 HydrophobicContact CD2-CD2 3.73Å; F419-L438 HydrophobicContact CD2-CG 4.41Å; F419-L438 HydrophobicContact CE2-CD2 4.13Å; F419-L438 HydrophobicContact CG-CB 4.31Å; F419-L438 HydrophobicContact CG-CD2 4.21Å; L438-L440 HydrophobicContact CD2-CD2 3.95Å; L438-L440 HydrophobicContact CG-CD2 3.92Å; L438-P445 HydrophobicContact CD1-CB 3.84Å; L438-P445 HydrophobicContact CD2-CB 3.79Å; L438-P445 HydrophobicContact CG-CB 3.99Å; L438-I448 HydrophobicContact CD1-CD1 4.14Å; L438-P468 HydrophobicContact CD1-CB 4.23Å; L438-P468 HydrophobicContact CD1-CG 3.78Å; L438-P468 VanDerWaalsContact CD1-O 3.31Å; L438-P468 WeakPolarHBondContact CD1-O 3.32Å |
| 439 | G | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 123 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | A416 P445 D446 R447 | A416-G439 VanDerWaalsContact O-CA 3.25Å; A416-G439 WeakPolarHBondContact O-CA 3.39Å; G439-P445 WeakPolarHBondContact O-CA 3.37Å; G439-D446 PolarHBondContact O-N 2.81Å; G439-R447 PolarHBondContact N-O 2.67Å |
| 440 | L | 98.6 | Very high | 98.5 | Very high | 17 Ų | 17 | 16.1 Ų | 16.1 | 9% | 0.089 | 8% | 0.077 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 117.2 | 175.7 | -51.4 | 178.8 | 0 | 0 | 0 | 110.8 | Q415 A416 E418 F419 L438 I444 P445 | Q415-L440 CarbonylContact C-O 3.43Å; Q415-L440 VanDerWaalsContact CA-O 3.32Å; Q415-L440 WeakPolarHBondContact CA-O 3.27Å; A416-L440 HydrophobicContact CB-CB 3.89Å; A416-L440 HydrophobicContact CB-CD1 4.26Å; A416-L440 HydrophobicContact CB-CG 4.25Å; A416-L440 PolarHBondContact N-O 3.29Å; A416-L440 PolarHBondContact O-N 3.02Å; E418-L440 HydrophobicContact CB-CD1 3.83Å; E418-L440 HydrophobicContact CB-CG 4.18Å; E418-L440 HydrophobicContact CG-CD1 4.04Å; F419-L440 HydrophobicContact CE2-CD1 4.45Å; L438-L440 HydrophobicContact CD2-CD2 3.95Å; L438-L440 HydrophobicContact CG-CD2 3.92Å; L440-I444 CarbonylContact C-O 3.54Å; L440-I444 WeakPolarHBondContact CA-O 3.36Å; L440-P445 HydrophobicContact CD2-CB 3.85Å |
| 441 | N | 97.9 | Very high | 98.5 | Very high | 1 Ų | 1 | 11.4 Ų | 11.4 | 1% | 0.005 | 6% | 0.056 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 101.6 | 175.7 | -175.1 | 0.9 | 0 | 0 | 0 | 109.6 | F5 W351 Q415 F443 I444 D446 | F5-N441 PolarHBondContact O-ND2 2.97Å; W351-N441 HydrophobicContact CH2-CB 4.46Å; Q415-N441 PolarHBondContact NE2-OD1 2.97Å; Q415-N441 VanDerWaalsContact OE1-CA 3.28Å; N441-F443 PolarHBondContact O-N 3.18Å; N441-I444 PolarHBondContact N-O 2.76Å; N441-I444 WeakPolarHBondContact O-CB 3.43Å; N441-I444 PolarHBondContact O-N 3.27Å; N441-D446 HydrophobicContact CB-CB 4.23Å; N441-D446 VanDerWaalsContact CB-CG 3.42Å; N441-D446 WeakPolarHBondContact CB-OD2 3.39Å; N441-D446 PolarHBondContact ND2-OD2 3.23Å |
| 442 | H | 97.8 | Very high | 98.5 | Very high | 8 Ų | 8 | 9.4 Ų | 9.4 | 4% | 0.037 | 5% | 0.046 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.9 | 45.2 | -172.7 | -54.4 | 78.4 | 0 | 0 | 0 | 111.7 | W351 V354 A358 R414 I444 | W351-H442 HydrophobicContact CH2-CB 4.24Å; W351-H442 AromaticContact CH2-ND1 3.83Å; W351-H442 HydrophobicContact CZ3-CB 4.39Å; V354-H442 HydrophobicContact CG1-CB 4.26Å; V354-H442 WeakPolarHBondContact CG1-O 3.43Å; A358-H442 HydrophobicContact CB-CB 3.65Å; R414-H442 PolarHBondContact O-N 3.49Å; H442-I444 VanDerWaalsContact C-N 3.25Å; H442-I444 PolarHBondContact O-N 2.84Å |
| 443 | F | 98 | Very high | 98.5 | Very high | 25 Ų | 25 | 9.4 Ų | 9.4 | 11% | 0.11 | 5% | 0.046 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 74.1 | -11.2 | -174 | -51.2 | -70.9 | 0 | 0 | 0 | 116.9 | W332 V338 Y341 L342 L347 A358 A361 N441 | W332-F443 AromaticContact CH2-CD1 3.98Å; W332-F443 HydrophobicContact CH2-CD1 3.98Å; W332-F443 AromaticContact CH2-CE1 3.53Å; W332-F443 HydrophobicContact CH2-CE1 3.53Å; W332-F443 HydrophobicContact CH2-CZ 4.48Å; W332-F443 HydrophobicContact CZ2-CE1 4.39Å; W332-F443 HydrophobicContact CZ3-CD1 4.46Å; W332-F443 AromaticContact CZ3-CE1 3.62Å; W332-F443 HydrophobicContact CZ3-CE1 3.62Å; W332-F443 HydrophobicContact CZ3-CZ 4.16Å; V338-F443 HydrophobicContact CG1-CE1 3.63Å; V338-F443 HydrophobicContact CG1-CZ 4.15Å; Y341-F443 HydrophobicContact CD1-CE2 4.23Å; Y341-F443 HydrophobicContact CD2-CZ 4.38Å; Y341-F443 AromaticContact CG-CE2 3.87Å; Y341-F443 HydrophobicContact CG-CE2 3.87Å; Y341-F443 AromaticContact CG-CZ 3.98Å; Y341-F443 HydrophobicContact CG-CZ 3.98Å; L342-F443 HydrophobicContact CD2-CB 4.16Å; L342-F443 HydrophobicContact CD2-CD1 3.89Å; L342-F443 HydrophobicContact CD2-CG 4.06Å; L347-F443 HydrophobicContact CD2-CB 4.1Å; A358-F443 HydrophobicContact CB-CD2 3.93Å; A358-F443 HydrophobicContact CB-CE2 3.8Å; A361-F443 HydrophobicContact CB-CE2 3.82Å; A361-F443 HydrophobicContact CB-CZ 3.6Å; N441-F443 PolarHBondContact O-N 3.18Å |
| 444 | I | 98.1 | Very high | 98.5 | Very high | 0 Ų | 0 | 13.8 Ų | 13.8 | 0% | 0 | 6% | 0.059 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 124.2 | 176 | -55.6 | -54.3 | 0 | 0 | 0 | 109.6 | Y12 W351 V354 L440 N441 H442 D446 Y467 | Y12-I444 HydrophobicContact CD1-CG1 4.43Å; Y12-I444 HydrophobicContact CD1-CG2 4.07Å; Y12-I444 HydrophobicContact CD2-CD1 3.75Å; Y12-I444 HydrophobicContact CD2-CG1 4.4Å; Y12-I444 HydrophobicContact CE2-CD1 4.08Å; Y12-I444 HydrophobicContact CG-CD1 4.07Å; Y12-I444 HydrophobicContact CG-CG1 4.33Å; Y12-I444 HydrophobicContact CG-CG2 3.92Å; W351-I444 HydrophobicContact CE3-CG1 4.46Å; W351-I444 HydrophobicContact CZ3-CB 4.37Å; W351-I444 HydrophobicContact CZ3-CG1 3.88Å; V354-I444 HydrophobicContact CG1-CD1 4.26Å; V354-I444 HydrophobicContact CG1-CG1 3.94Å; L440-I444 CarbonylContact C-O 3.54Å; L440-I444 WeakPolarHBondContact CA-O 3.36Å; N441-I444 PolarHBondContact N-O 2.76Å; N441-I444 WeakPolarHBondContact O-CB 3.43Å; N441-I444 PolarHBondContact O-N 3.27Å; H442-I444 VanDerWaalsContact C-N 3.25Å; H442-I444 PolarHBondContact O-N 2.84Å; I444-D446 PolarHBondContact O-N 2.81Å; I444-Y467 HydrophobicContact CG2-CD1 3.97Å; I444-Y467 HydrophobicContact CG2-CE1 4.07Å |
| 445 | P | 98.2 | Very high | 98.5 | Very high | 11 Ų | 11 | 15.4 Ų | 15.4 | 7% | 0.071 | 7% | 0.074 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 116.2 | 177.6 | 28.4 | -33.2 | 0 | 0 | 0 | 110.6 | I15 L438 G439 L440 Y467 P468 | I15-P445 HydrophobicContact CD1-CG 3.82Å; L438-P445 HydrophobicContact CD1-CB 3.84Å; L438-P445 HydrophobicContact CD2-CB 3.79Å; L438-P445 HydrophobicContact CG-CB 3.99Å; G439-P445 WeakPolarHBondContact O-CA 3.37Å; L440-P445 HydrophobicContact CD2-CB 3.85Å; P445-Y467 WeakPolarHBondContact O-CA 3.37Å; P445-Y467 WeakPolarHBondContact O-CD1 3.47Å; P445-P468 WeakPolarHBondContact CB-O 3.34Å |
| 446 | D | 97.6 | Very high | 98.5 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | -6.5 | -170.2 | 79.2 | -23.8 | 0 | 0 | 0 | 115.4 | H7 G439 N441 I444 Q462 | H7-D446 VanDerWaalsContact NE2-CB 3.33Å; H7-D446 WeakPolarHBondContact NE2-CB 3.47Å; H7-D446 IonicContact NE2-OD2 2.69Å; G439-D446 PolarHBondContact O-N 2.81Å; N441-D446 HydrophobicContact CB-CB 4.23Å; N441-D446 VanDerWaalsContact CB-CG 3.42Å; N441-D446 WeakPolarHBondContact CB-OD2 3.39Å; N441-D446 PolarHBondContact ND2-OD2 3.23Å; I444-D446 PolarHBondContact O-N 2.81Å; D446-Q462 WeakPolarHBondContact O-CG 3.44Å; D446-Q462 PolarHBondContact O-NE2 2.78Å; D446-Q462 PolarHBondContact OD2-NE2 3.27Å |
| 447 | R | 98.6 | Very high | 98.5 | Very high | 32 Ų | 32 | 24.1 Ų | 24.1 | 12% | 0.121 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.9 | 161.1 | -177 | 68.3 | -172.9 | 114.2 | -110.5 | -10.1 | 112.8 | Q415 G439 V460 W461 Q462 | Q415-R447 VanDerWaalsContact CD-NH2 3.33Å; G439-R447 PolarHBondContact N-O 2.67Å; R447-V460 HydrophobicContact CB-CG1 3.89Å; R447-V460 HydrophobicContact CG-CG1 4.21Å; R447-W461 WeakPolarHBondContact CA-O 3.49Å; R447-W461 WeakPolarHBondContact CB-O 3.38Å; R447-Q462 HydrophobicContact CB-CB 3.92Å; R447-Q462 HydrophobicContact CB-CG 4.27Å |
| 448 | I | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 134.9 | 165.3 | -62.1 | -55.2 | 0 | 0 | 0 | 108.9 | L438 V460 W461 P468 S469 P471 L487 T489 L505 L510 | L438-I448 HydrophobicContact CD1-CD1 4.14Å; I448-V460 WeakPolarHBondContact O-CA 3.38Å; I448-W461 HydrophobicContact CB-CB 4.38Å; I448-W461 HydrophobicContact CB-CE3 4.36Å; I448-W461 HydrophobicContact CG1-CE3 4.05Å; I448-W461 PolarHBondContact N-O 3.4Å; I448-W461 PolarHBondContact O-N 3.11Å; I448-P468 HydrophobicContact CD1-CB 3.7Å; I448-P468 HydrophobicContact CD1-CG 3.97Å; I448-P468 HydrophobicContact CG1-CB 4.01Å; I448-P468 HydrophobicContact CG1-CG 4.22Å; I448-S469 WeakPolarHBondContact CD1-O 3.03Å; I448-P471 HydrophobicContact CD1-CB 3.98Å; I448-P471 HydrophobicContact CD1-CG 4.07Å; I448-P471 HydrophobicContact CG2-CB 3.94Å; I448-P471 HydrophobicContact CG2-CG 4.07Å; I448-L487 HydrophobicContact CG2-CD1 4.15Å; I448-T489 HydrophobicContact CD1-CG2 4.32Å; I448-T489 HydrophobicContact CG1-CG2 4.13Å; I448-L505 HydrophobicContact CB-CD1 4.24Å; I448-L505 HydrophobicContact CG1-CD1 4.41Å; I448-L505 HydrophobicContact CG2-CD1 4.15Å; I448-L510 HydrophobicContact CG2-CD1 4.45Å; I448-L510 HydrophobicContact CG2-CD2 4.39Å |
| 449 | C | 98.8 | Very high | 98.4 | Very high | 7 Ų | 7 | 29.7 Ų | 29.7 | 5% | 0.047 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 143.1 | -179.9 | -64.3 | 0 | 0 | 0 | 0 | 110.6 | F417 Y436 G437 W459 | F417-C449 HydrophobicContact CD2-CB 3.63Å; F417-C449 HydrophobicContact CE2-CB 3.83Å; Y436-C449 CarbonylContact C-O 3.55Å; Y436-C449 VanDerWaalsContact CA-O 3.3Å; Y436-C449 WeakPolarHBondContact CA-O 3.48Å; G437-C449 PolarHBondContact N-O 2.86Å; G437-C449 PolarHBondContact O-N 3.17Å; C449-W459 WeakPolarHBondContact CA-O 3.41Å |
| 450 | K | 98.9 | Very high | 98.4 | Very high | 1 Ų | 1 | 33.3 Ų | 33.3 | 0% | 0.004 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 138.8 | 160.7 | 177.9 | -176.6 | -178.1 | 172.9 | 0 | 107.8 | A435 Y436 T458 W459 D483 A507 K508 L510 | A435-K450 CarbonylContact O-C 3.54Å; A435-K450 WeakPolarHBondContact O-CA 3.4Å; Y436-K450 HydrophobicContact CD1-CB 3.99Å; Y436-K450 HydrophobicContact CD1-CD 4.39Å; Y436-K450 HydrophobicContact CD1-CG 3.9Å; Y436-K450 HydrophobicContact CE1-CB 4.24Å; Y436-K450 HydrophobicContact CE1-CD 3.8Å; Y436-K450 HydrophobicContact CE1-CG 3.73Å; K450-T458 CarbonylContact O-C 3.53Å; K450-T458 WeakPolarHBondContact O-CA 3.39Å; K450-T458 WeakPolarHBondContact O-CB 3.4Å; K450-W459 HydrophobicContact CB-CB 4.19Å; K450-W459 HydrophobicContact CB-CE3 4.08Å; K450-W459 HydrophobicContact CD-CD2 4.23Å; K450-W459 HydrophobicContact CD-CE3 3.76Å; K450-W459 HydrophobicContact CD-CZ3 4.29Å; K450-W459 HydrophobicContact CG-CE3 3.84Å; K450-W459 HydrophobicContact CG-CZ3 4.37Å; K450-W459 PolarHBondContact N-O 3.06Å; K450-W459 PolarHBondContact O-N 3.45Å; K450-D483 IonicContact NZ-OD2 2.65Å; K450-D483 PolarHBondContact NZ-OD2 2.88Å; K450-A507 WeakPolarHBondContact CD-O 3.08Å; K450-A507 WeakPolarHBondContact CE-O 3.23Å; K450-A507 PolarHBondContact NZ-O 3.08Å; K450-K508 PolarHBondContact NZ-O 2.94Å; K450-L510 HydrophobicContact CB-CD1 3.95Å; K450-L510 HydrophobicContact CB-CD2 4.21Å; K450-L510 HydrophobicContact CB-CG 4.14Å |
| 451 | L | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 123.2 | 178.5 | 172.9 | 63.4 | 0 | 0 | 0 | 109.1 | V366 L409 F410 F417 Y434 A435 V453 T458 | V366-L451 HydrophobicContact CG1-CD2 4.17Å; L409-L451 HydrophobicContact CB-CD2 4.22Å; F410-L451 HydrophobicContact CB-CD1 4.47Å; F410-L451 HydrophobicContact CB-CD2 4.24Å; F417-L451 HydrophobicContact CD2-CB 4.49Å; F417-L451 HydrophobicContact CE2-CB 3.92Å; F417-L451 HydrophobicContact CZ-CB 4.26Å; Y434-L451 WeakPolarHBondContact CA-O 3.29Å; A435-L451 PolarHBondContact N-O 2.81Å; A435-L451 PolarHBondContact O-N 3Å; L451-V453 HydrophobicContact CD2-CG1 4.09Å; L451-V453 HydrophobicContact CG-CG1 4.08Å; L451-V453 PolarHBondContact O-N 2.9Å; L451-T458 HydrophobicContact CD1-CG2 3.73Å |
| 452 | N | 98.8 | Very high | 98.4 | Very high | 14 Ų | 14 | 35.9 Ų | 35.9 | 8% | 0.075 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 109.6 | 162.7 | -175.9 | -38.3 | 0 | 0 | 0 | 108.7 | S433 Y434 R454 T455 K456 E457 W459 | S433-N452 CarbonylContact O-C 3.52Å; S433-N452 VanDerWaalsContact O-CA 3.23Å; S433-N452 WeakPolarHBondContact O-CA 3.36Å; Y434-N452 HydrophobicContact CD1-CB 4.14Å; Y434-N452 HydrophobicContact CE1-CB 4.01Å; N452-R454 PolarHBondContact O-N 2.81Å; N452-R454 WeakPolarHBondContact OD1-CA 3.24Å; N452-R454 WeakPolarHBondContact OD1-CB 3.48Å; N452-R454 PolarHBondContact OD1-N 2.74Å; N452-T455 VanDerWaalsContact CB-OG1 3.3Å; N452-T455 WeakPolarHBondContact CB-OG1 3.19Å; N452-T455 PolarHBondContact ND2-OG1 2.88Å; N452-T455 PolarHBondContact OD1-N 2.81Å; N452-T455 PolarHBondContact OD1-OG1 3.33Å; N452-K456 WeakPolarHBondContact O-CA 3.46Å; N452-K456 PolarHBondContact O-N 3.21Å; N452-E457 HydrophobicContact CB-CB 4.34Å; N452-E457 PolarHBondContact N-O 3.17Å; N452-W459 HydrophobicContact CB-CH2 4.31Å; N452-W459 HydrophobicContact CB-CZ3 4.02Å |
| 453 | V | 98.8 | Very high | 98.3 | Very high | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.006 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -2.7 | -174.3 | -57.8 | 0 | 0 | 0 | 0 | 113.9 | R368 L409 Y432 S433 A435 L451 | R368-V453 PolarHBondContact NH1-O 3.3Å; R368-V453 VanDerWaalsContact NH2-CG2 3.3Å; R368-V453 PolarHBondContact NH2-O 3.23Å; L409-V453 HydrophobicContact CD1-CB 4.03Å; L409-V453 HydrophobicContact CD1-CG1 4.17Å; Y432-V453 HydrophobicContact CD1-CG2 4.44Å; Y432-V453 HydrophobicContact CD2-CG2 4.37Å; Y432-V453 HydrophobicContact CE1-CG2 4.01Å; Y432-V453 HydrophobicContact CE2-CG1 4.1Å; Y432-V453 HydrophobicContact CE2-CG2 3.96Å; S433-V453 PolarHBondContact O-N 2.77Å; A435-V453 HydrophobicContact CB-CG1 4.29Å; L451-V453 HydrophobicContact CD2-CG1 4.09Å; L451-V453 HydrophobicContact CG-CG1 4.08Å; L451-V453 PolarHBondContact O-N 2.9Å |
| 454 | R | 98.1 | Very high | 98.1 | Very high | 114 Ų | 114 | 41.4 Ų | 41.4 | 43% | 0.43 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.5 | -46 | 173.8 | -56.2 | -178.7 | -176.5 | -80.7 | -3.5 | 111.3 | N431 Y432 S433 N452 | N431-R454 PolarHBondContact OD1-NH2 3.48Å; Y432-R454 PolarHBondContact O-NE 2.96Å; Y432-R454 PolarHBondContact O-NH2 3.15Å; Y432-R454 VanDerWaalsContact O-NH2 3.08Å; S433-R454 PolarHBondContact OG-NE 2.65Å; N452-R454 PolarHBondContact O-N 2.81Å; N452-R454 WeakPolarHBondContact OD1-CA 3.24Å; N452-R454 WeakPolarHBondContact OD1-CB 3.48Å; N452-R454 PolarHBondContact OD1-N 2.74Å |
| 455 | T | 98.4 | Very high | 97.9 | Very high | 85 Ų | 85 | 43.6 Ų | 43.6 | 52% | 0.521 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | -14.8 | -175.5 | 65.9 | 0 | 0 | 0 | 0 | 113.5 | N452 E457 | N452-T455 VanDerWaalsContact CB-OG1 3.3Å; N452-T455 WeakPolarHBondContact CB-OG1 3.19Å; N452-T455 PolarHBondContact ND2-OG1 2.88Å; N452-T455 PolarHBondContact OD1-N 2.81Å; N452-T455 PolarHBondContact OD1-OG1 3.33Å; T455-E457 PolarHBondContact O-N 3.19Å; T455-E457 WeakPolarHBondContact OG1-CB 3.14Å; T455-E457 PolarHBondContact OG1-N 3.03Å |
| 456 | K | 98.6 | Very high | 97.8 | Very high | 82 Ų | 82 | 43.2 Ų | 43.2 | 36% | 0.357 | 22% | 0.216 | S | C | . | . | trans | 65.6 | 10.7 | -172.9 | -48.1 | 175.3 | -169.5 | -170.7 | 0 | 113.7 | E407 V408 N452 | E407-K456 WeakPolarHBondContact OE1-CE 3.16Å; E407-K456 IonicContact OE1-NZ 3.69Å; E407-K456 PolarHBondContact OE1-NZ 2.8Å; V408-K456 PolarHBondContact O-NZ 3.41Å; V408-K456 VanDerWaalsContact O-NZ 3.15Å; N452-K456 WeakPolarHBondContact O-CA 3.46Å; N452-K456 PolarHBondContact O-N 3.21Å | ||
| 457 | E | 98.6 | Very high | 97.9 | Very high | 102 Ų | 102 | 43.4 Ų | 43.4 | 48% | 0.477 | 22% | 0.217 | S | C | . | . | trans | -66.2 | 141.6 | 173 | -172.2 | 177 | -170.1 | 0 | 0 | 110.4 | N452 T455 W459 | N452-E457 HydrophobicContact CB-CB 4.34Å; N452-E457 PolarHBondContact N-O 3.17Å; T455-E457 PolarHBondContact O-N 3.19Å; T455-E457 WeakPolarHBondContact OG1-CB 3.14Å; T455-E457 PolarHBondContact OG1-N 3.03Å; E457-W459 HydrophobicContact CB-CH2 3.86Å; E457-W459 HydrophobicContact CB-CZ3 4.09Å; E457-W459 HydrophobicContact CG-CH2 3.49Å; E457-W459 VanDerWaalsContact CG-CH2 3.49Å; E457-W459 HydrophobicContact CG-CZ2 3.75Å; E457-W459 HydrophobicContact CG-CZ3 3.92Å; E457-W459 VanDerWaalsContact OE1-CZ2 3.32Å; E457-W459 WeakPolarHBondContact OE1-CZ2 3.13Å; E457-W459 VanDerWaalsContact OE2-CH2 3.31Å; E457-W459 WeakPolarHBondContact OE2-CH2 3.46Å | ||
| 458 | T | 98.5 | Very high | 97.9 | Very high | 62 Ų | 62 | 42.1 Ų | 42.1 | 38% | 0.38 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 148.1 | 179.1 | 61.6 | 0 | 0 | 0 | 0 | 112.5 | F410 K450 L451 | F410-T458 HydrophobicContact CD2-CG2 4.03Å; F410-T458 HydrophobicContact CE2-CG2 4.44Å; K450-T458 CarbonylContact O-C 3.53Å; K450-T458 WeakPolarHBondContact O-CA 3.39Å; K450-T458 WeakPolarHBondContact O-CB 3.4Å; L451-T458 HydrophobicContact CD1-CG2 3.73Å |
| 459 | W | 98.7 | Very high | 97.9 | Very high | 62 Ų | 62 | 42.4 Ų | 42.4 | 24% | 0.235 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 149.1 | 168.6 | -59.5 | -104.6 | 0 | 0 | 0 | 108.4 | C449 K450 N452 E457 L510 | C449-W459 WeakPolarHBondContact CA-O 3.41Å; K450-W459 HydrophobicContact CB-CB 4.19Å; K450-W459 HydrophobicContact CB-CE3 4.08Å; K450-W459 HydrophobicContact CD-CD2 4.23Å; K450-W459 HydrophobicContact CD-CE3 3.76Å; K450-W459 HydrophobicContact CD-CZ3 4.29Å; K450-W459 HydrophobicContact CG-CE3 3.84Å; K450-W459 HydrophobicContact CG-CZ3 4.37Å; K450-W459 PolarHBondContact N-O 3.06Å; K450-W459 PolarHBondContact O-N 3.45Å; N452-W459 HydrophobicContact CB-CH2 4.31Å; N452-W459 HydrophobicContact CB-CZ3 4.02Å; E457-W459 HydrophobicContact CB-CH2 3.86Å; E457-W459 HydrophobicContact CB-CZ3 4.09Å; E457-W459 HydrophobicContact CG-CH2 3.49Å; E457-W459 VanDerWaalsContact CG-CH2 3.49Å; E457-W459 HydrophobicContact CG-CZ2 3.75Å; E457-W459 HydrophobicContact CG-CZ3 3.92Å; E457-W459 VanDerWaalsContact OE1-CZ2 3.32Å; E457-W459 WeakPolarHBondContact OE1-CZ2 3.13Å; E457-W459 VanDerWaalsContact OE2-CH2 3.31Å; E457-W459 WeakPolarHBondContact OE2-CH2 3.46Å; W459-L510 HydrophobicContact CB-CD1 3.79Å; W459-L510 HydrophobicContact CB-CG 4.05Å; W459-L510 WeakPolarHBondContact O-CD1 3.45Å |
| 460 | V | 98.5 | Very high | 97.9 | Very high | 75 Ų | 75 | 42.2 Ų | 42.2 | 46% | 0.455 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 129.3 | -177.9 | 178.8 | 0 | 0 | 0 | 0 | 109.8 | R447 I448 Q462 | R447-V460 HydrophobicContact CB-CG1 3.89Å; R447-V460 HydrophobicContact CG-CG1 4.21Å; I448-V460 WeakPolarHBondContact O-CA 3.38Å; V460-Q462 HydrophobicContact CG1-CB 4.14Å |
| 461 | W | 98.6 | Very high | 97.9 | Very high | 21 Ų | 21 | 42.1 Ų | 42.1 | 8% | 0.08 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 131 | 159.5 | 174.8 | 94.6 | 0 | 0 | 0 | 108.8 | R447 I448 E463 P468 V491 L503 L505 L510 | R447-W461 WeakPolarHBondContact CA-O 3.49Å; R447-W461 WeakPolarHBondContact CB-O 3.38Å; I448-W461 HydrophobicContact CB-CB 4.38Å; I448-W461 HydrophobicContact CB-CE3 4.36Å; I448-W461 HydrophobicContact CG1-CE3 4.05Å; I448-W461 PolarHBondContact N-O 3.4Å; I448-W461 PolarHBondContact O-N 3.11Å; W461-E463 HydrophobicContact CH2-CB 4.36Å; W461-E463 HydrophobicContact CH2-CG 4.29Å; W461-E463 HydrophobicContact CZ2-CB 4.22Å; W461-E463 HydrophobicContact CZ2-CG 3.66Å; W461-P468 HydrophobicContact CZ3-CB 4.25Å; W461-P468 HydrophobicContact CZ3-CG 4.27Å; W461-V491 HydrophobicContact CH2-CG1 4.27Å; W461-V491 HydrophobicContact CH2-CG2 4.03Å; W461-V491 HydrophobicContact CZ3-CG2 4.32Å; W461-L503 HydrophobicContact CD2-CD2 3.77Å; W461-L503 VanDerWaalsContact CE2-CD2 3.47Å; W461-L503 HydrophobicContact CE3-CD2 3.88Å; W461-L503 HydrophobicContact CH2-CD2 3.5Å; W461-L503 HydrophobicContact CZ2-CD1 4.37Å; W461-L503 HydrophobicContact CZ2-CD2 3.34Å; W461-L503 HydrophobicContact CZ2-CG 4.49Å; W461-L503 HydrophobicContact CZ3-CD2 3.76Å; W461-L505 HydrophobicContact CB-CD1 3.78Å; W461-L505 HydrophobicContact CD2-CD1 4.26Å; W461-L505 HydrophobicContact CD2-CD2 4.5Å; W461-L505 HydrophobicContact CG-CD1 3.84Å; W461-L505 HydrophobicContact CG-CD2 4.04Å; W461-L510 HydrophobicContact CB-CB 4.16Å |
| 462 | Q | 97.8 | Very high | 97.8 | Very high | 52 Ų | 52 | 42.5 Ų | 42.5 | 24% | 0.243 | 22% | 0.215 | C | C | . | . | trans | -155.6 | 135.8 | 180 | 177.8 | 159 | 50.3 | 0 | 0 | 110.4 | F5 D446 R447 V460 | F5-Q462 HydrophobicContact CD1-CG 4.47Å; F5-Q462 VanDerWaalsContact CD1-NE2 3.31Å; F5-Q462 HydrophobicContact CD2-CG 4.21Å; F5-Q462 HydrophobicContact CE1-CG 4.12Å; F5-Q462 HydrophobicContact CE2-CG 3.84Å; F5-Q462 HydrophobicContact CG-CG 4.5Å; F5-Q462 HydrophobicContact CZ-CG 3.77Å; D446-Q462 WeakPolarHBondContact O-CG 3.44Å; D446-Q462 PolarHBondContact O-NE2 2.78Å; D446-Q462 PolarHBondContact OD2-NE2 3.27Å; R447-Q462 HydrophobicContact CB-CB 3.92Å; R447-Q462 HydrophobicContact CB-CG 4.27Å; V460-Q462 HydrophobicContact CG1-CB 4.14Å | ||
| 463 | E | 95.7 | Very high | 97.8 | Very high | 51 Ų | 51 | 43 Ų | 43 | 24% | 0.238 | 22% | 0.216 | C | C | . | . | trans | -125.4 | 147.8 | 171.5 | -73.5 | -172.7 | 171.8 | 0 | 0 | 110.3 | W461 Y501 R515 | W461-E463 HydrophobicContact CH2-CB 4.36Å; W461-E463 HydrophobicContact CH2-CG 4.29Å; W461-E463 HydrophobicContact CZ2-CB 4.22Å; W461-E463 HydrophobicContact CZ2-CG 3.66Å; E463-Y501 PolarHBondContact OE2-OH 2.81Å; E463-Y501 VanDerWaalsContact OE2-OH 3.09Å; E463-R515 IonicContact OE1-CZ 2.83Å; E463-R515 IonicContact OE1-NH1 2.76Å; E463-R515 IonicContact OE1-NH2 3.38Å; E463-R515 PolarHBondContact OE1-NH2 2.8Å; E463-R515 IonicContact OE2-CZ 3.81Å; E463-R515 IonicContact OE2-NH1 3.15Å; E463-R515 PolarHBondContact OE2-NH1 3.05Å; E463-R515 IonicContact OE2-NH2 2.74Å; E463-R515 PolarHBondContact OE2-NH2 3.49Å | ||
| 464 | P | 94.1 | Very high | 97.8 | Very high | 98 Ų | 98 | 43.3 Ų | 43.3 | 64% | 0.636 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | 141.8 | 171.9 | -24.7 | 35 | 0 | 0 | 0 | 112.4 | F5 S466 | F5-P464 HydrophobicContact CZ-CB 4.33Å; F5-P464 HydrophobicContact CZ-CG 4.19Å; P464-S466 PolarHBondContact O-N 3.4Å; P464-S466 PolarHBondContact O-OG 2.96Å; P464-S466 VanDerWaalsContact O-OG 3.12Å |
| 465 | E | 93.2 | Very high | 97.7 | Very high | 45 Ų | 45 | 38.9 Ų | 38.9 | 21% | 0.21 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51 | 33.2 | 175.4 | -55.7 | -60.4 | 116.8 | 0 | 0 | 114.1 | H7 A9 S11 Y467 | H7-E465 IonicContact ND1-OE1 3.95Å; A9-E465 WeakPolarHBondContact CB-OE2 3.4Å; S11-E465 VanDerWaalsContact CB-OE2 3.25Å; S11-E465 WeakPolarHBondContact CB-OE2 3.49Å; S11-E465 PolarHBondContact OG-OE2 2.82Å; E465-Y467 PolarHBondContact OE2-OH 3.33Å |
| 466 | S | 96.7 | Very high | 97.6 | Very high | 3 Ų | 3 | 36.9 Ų | 36.9 | 2% | 0.021 | 19% | 0.19 | C | C | . | . | trans | -125.7 | 124.8 | -179.3 | -63.7 | 0 | 0 | 0 | 0 | 109.8 | P464 P468 A492 | P464-S466 PolarHBondContact O-N 3.4Å; P464-S466 PolarHBondContact O-OG 2.96Å; P464-S466 VanDerWaalsContact O-OG 3.12Å; S466-P468 WeakPolarHBondContact O-CD 3.34Å; S466-A492 WeakPolarHBondContact CA-O 3.11Å | ||
| 467 | Y | 98.3 | Very high | 97.3 | Very high | 5 Ų | 5 | 37 Ų | 37 | 2% | 0.02 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 94.9 | -171.3 | -49.1 | -74.2 | 0 | 0 | 0 | 109.4 | H7 S11 Y12 I15 I444 P445 E465 A492 P494 | H7-Y467 AromaticContact CE1-CE1 3.85Å; H7-Y467 AromaticContact ND1-CE1 3.66Å; S11-Y467 VanDerWaalsContact OG-CE2 3.23Å; S11-Y467 WeakPolarHBondContact OG-CE2 3.01Å; S11-Y467 PolarHBondContact OG-OH 3.03Å; Y12-Y467 VanDerWaalsContact CA-CZ 3.5Å; Y12-Y467 HydrophobicContact CD1-CE1 4.3Å; Y12-Y467 HydrophobicContact CG-CE1 4.43Å; Y12-Y467 VanDerWaalsContact N-CE2 3.29Å; Y12-Y467 PolarHBondContact N-OH 3.15Å; I15-Y467 HydrophobicContact CG2-CD2 4.34Å; I15-Y467 HydrophobicContact CG2-CG 4.44Å; I444-Y467 HydrophobicContact CG2-CD1 3.97Å; I444-Y467 HydrophobicContact CG2-CE1 4.07Å; P445-Y467 WeakPolarHBondContact O-CA 3.37Å; P445-Y467 WeakPolarHBondContact O-CD1 3.47Å; E465-Y467 PolarHBondContact OE2-OH 3.33Å; Y467-A492 WeakPolarHBondContact CD2-O 3.22Å; Y467-A492 PolarHBondContact N-O 3.49Å; Y467-A492 PolarHBondContact O-N 3.07Å; Y467-P494 HydrophobicContact CD2-CG 4.34Å; Y467-P494 HydrophobicContact CE2-CG 3.94Å |
| 468 | P | 98.6 | Very high | 96.9 | Very high | 5 Ų | 5 | 39.3 Ų | 39.3 | 3% | 0.032 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 162 | -176.1 | 29 | -32.6 | 0 | 0 | 0 | 112.8 | L438 P445 I448 W461 S466 I490 V491 | L438-P468 HydrophobicContact CD1-CB 4.23Å; L438-P468 HydrophobicContact CD1-CG 3.78Å; L438-P468 VanDerWaalsContact CD1-O 3.31Å; L438-P468 WeakPolarHBondContact CD1-O 3.32Å; P445-P468 WeakPolarHBondContact CB-O 3.34Å; I448-P468 HydrophobicContact CD1-CB 3.7Å; I448-P468 HydrophobicContact CD1-CG 3.97Å; I448-P468 HydrophobicContact CG1-CB 4.01Å; I448-P468 HydrophobicContact CG1-CG 4.22Å; W461-P468 HydrophobicContact CZ3-CB 4.25Å; W461-P468 HydrophobicContact CZ3-CG 4.27Å; S466-P468 WeakPolarHBondContact O-CD 3.34Å; P468-I490 CarbonylContact C-O 3.45Å; P468-I490 WeakPolarHBondContact CA-O 3.49Å; P468-V491 HydrophobicContact CB-CG2 4.14Å |
| 469 | S | 98.8 | Very high | 96.5 | Very high | 6 Ų | 6 | 36.7 Ų | 36.7 | 4% | 0.042 | 20% | 0.2 | C | C | . | . | trans | -95.2 | 179.2 | 166.4 | 75.9 | 0 | 0 | 0 | 0 | 111.1 | R44 I448 T489 I490 T525 | R44-S469 PolarHBondContact NE-OG 3.13Å; I448-S469 WeakPolarHBondContact CD1-O 3.03Å; S469-T489 PolarHBondContact N-OG1 3.2Å; S469-T489 VanDerWaalsContact N-OG1 3.14Å; S469-T489 PolarHBondContact O-OG1 2.77Å; S469-T489 PolarHBondContact OG-OG1 3.34Å; S469-I490 PolarHBondContact N-O 2.73Å; S469-I490 PolarHBondContact OG-N 3.17Å; S469-I490 PolarHBondContact OG-O 3.18Å; S469-T525 WeakPolarHBondContact CB-OG1 3.41Å | ||
| 470 | E | 98.8 | Very high | 96.2 | Very high | 2 Ų | 2 | 39.4 Ų | 39.4 | 1% | 0.009 | 22% | 0.223 | C | C | . | . | trans | -46.7 | 133 | 168.4 | 175.3 | -172.9 | -129.2 | 0 | 0 | 112.2 | R44 F419 Q421 L472 H527 | R44-E470 IonicContact CZ-OE2 2.7Å; R44-E470 IonicContact NH1-OE2 3.61Å; R44-E470 PolarHBondContact NH1-OE2 2.86Å; R44-E470 IonicContact NH2-OE2 3.17Å; F419-E470 HydrophobicContact CB-CB 3.82Å; F419-E470 HydrophobicContact CB-CG 3.88Å; F419-E470 HydrophobicContact CD1-CB 4.23Å; F419-E470 HydrophobicContact CG-CB 4.34Å; Q421-E470 HydrophobicContact CG-CG 3.78Å; Q421-E470 VanDerWaalsContact NE2-CD 3.34Å; Q421-E470 PolarHBondContact NE2-OE1 3.18Å; E470-L472 HydrophobicContact CG-CD2 4.25Å; E470-H527 IonicContact OE1-CE1 2.71Å; E470-H527 IonicContact OE1-ND1 3.02Å; E470-H527 PolarHBondContact OE1-ND1 3.33Å; E470-H527 WeakPolarHBondContact OE2-CA 3.49Å; E470-H527 IonicContact OE2-ND1 3.81Å | ||
| 471 | P | 98.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 22% | 0.222 | C | C | . | . | trans | -88.4 | 103.2 | 179.2 | 33.4 | -33.1 | 0 | 0 | 0 | 112.3 | Q421 I448 L487 | Q421-P471 VanDerWaalsContact CB-O 3.29Å; Q421-P471 WeakPolarHBondContact CB-O 3.29Å; Q421-P471 WeakPolarHBondContact CG-O 3.31Å; I448-P471 HydrophobicContact CD1-CB 3.98Å; I448-P471 HydrophobicContact CD1-CG 4.07Å; I448-P471 HydrophobicContact CG2-CB 3.94Å; I448-P471 HydrophobicContact CG2-CG 4.07Å; P471-L487 HydrophobicContact CB-CB 4.19Å; P471-L487 HydrophobicContact CB-CD1 4.2Å | ||
| 472 | L | 98.4 | Very high | 96.1 | Very high | 8 Ų | 8 | 39.3 Ų | 39.3 | 4% | 0.042 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 128.5 | 177.4 | -64.9 | -171.5 | 0 | 0 | 0 | 111.7 | L42 Q421 E470 L487 L488 | L42-L472 HydrophobicContact CD1-CB 4.38Å; L42-L472 HydrophobicContact CD1-CD1 3.29Å; L42-L472 HydrophobicContact CD1-CG 4.17Å; Q421-L472 HydrophobicContact CG-CD2 3.96Å; E470-L472 HydrophobicContact CG-CD2 4.25Å; L472-L487 CarbonylContact O-C 3.58Å; L472-L487 WeakPolarHBondContact O-CA 3.47Å; L472-L488 PolarHBondContact N-O 2.73Å; L472-L488 PolarHBondContact O-N 2.91Å |
| 473 | F | 98.6 | Very high | 96.1 | Very high | 25 Ų | 25 | 37.4 Ų | 37.4 | 11% | 0.11 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 131.3 | 177.5 | -178 | -89.8 | 0 | 0 | 0 | 112 | N423 Y436 Q475 E482 L487 A507 | N423-F473 HydrophobicContact CB-CD1 3.76Å; N423-F473 HydrophobicContact CB-CE1 3.47Å; N423-F473 VanDerWaalsContact CB-CE1 3.47Å; N423-F473 HydrophobicContact CB-CZ 4.02Å; N423-F473 WeakPolarHBondContact ND2-CE1 3.04Å; Y436-F473 HydrophobicContact CD2-CB 4.29Å; Y436-F473 HydrophobicContact CD2-CD2 4.13Å; Y436-F473 HydrophobicContact CE2-CB 4.29Å; Y436-F473 AromaticContact CE2-CD2 3.38Å; Y436-F473 HydrophobicContact CE2-CD2 3.38Å; Y436-F473 AromaticContact CE2-CE2 3.97Å; Y436-F473 HydrophobicContact CE2-CE2 3.97Å; Y436-F473 HydrophobicContact CE2-CG 4.07Å; Y436-F473 AromaticContact CZ-CD2 3.75Å; F473-Q475 HydrophobicContact CE1-CB 3.79Å; F473-Q475 HydrophobicContact CE1-CG 4.47Å; F473-Q475 HydrophobicContact CZ-CB 4.45Å; F473-E482 WeakPolarHBondContact CZ-O 3.43Å; F473-L487 HydrophobicContact CB-CD2 3.98Å; F473-L487 HydrophobicContact CD2-CD2 3.86Å; F473-L487 HydrophobicContact CG-CD2 4.41Å; F473-A507 HydrophobicContact CD2-CB 3.86Å; F473-A507 HydrophobicContact CE2-CB 3.58Å |
| 474 | V | 98.3 | Very high | 96.2 | Very high | 6 Ų | 6 | 36.6 Ų | 36.6 | 4% | 0.036 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 117.3 | 171.4 | -175 | 0 | 0 | 0 | 0 | 108.9 | F37 L38 G485 V486 L488 Y530 | F37-V474 HydrophobicContact CE2-CG1 4.3Å; L38-V474 HydrophobicContact CD2-CB 4.19Å; L38-V474 HydrophobicContact CD2-CG1 3.82Å; V474-G485 CarbonylContact O-C 3.58Å; V474-G485 WeakPolarHBondContact O-CA 3.44Å; V474-V486 HydrophobicContact CB-CG2 4.08Å; V474-V486 PolarHBondContact N-O 3.42Å; V474-V486 PolarHBondContact O-N 2.85Å; V474-L488 HydrophobicContact CG2-CD1 3.73Å; V474-L488 HydrophobicContact CG2-CG 4.09Å; V474-Y530 HydrophobicContact CB-CD1 4.38Å; V474-Y530 HydrophobicContact CG1-CD1 3.81Å; V474-Y530 HydrophobicContact CG1-CE1 3.72Å; V474-Y530 HydrophobicContact CG2-CD1 3.59Å; V474-Y530 HydrophobicContact CG2-CD2 4.17Å; V474-Y530 HydrophobicContact CG2-CE1 4.11Å; V474-Y530 HydrophobicContact CG2-CG 3.61Å |
| 475 | Q | 96.4 | Very high | 96.4 | Very high | 21 Ų | 21 | 32.2 Ų | 32.2 | 10% | 0.098 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 140.4 | -179.8 | -172.2 | 149.9 | 29.5 | 0 | 0 | 111.6 | N423 K426 F473 | N423-Q475 VanDerWaalsContact ND2-CD 3.31Å; N423-Q475 PolarHBondContact ND2-NE2 2.9Å; N423-Q475 PolarHBondContact ND2-OE1 2.82Å; N423-Q475 VanDerWaalsContact ND2-OE1 3.13Å; N423-Q475 PolarHBondContact OD1-OE1 2.63Å; K426-Q475 VanDerWaalsContact NZ-CD 3.29Å; F473-Q475 HydrophobicContact CE1-CB 3.79Å; F473-Q475 HydrophobicContact CE1-CG 4.47Å; F473-Q475 HydrophobicContact CZ-CB 4.45Å |
| 476 | T | 95.8 | Very high | 96.6 | Very high | 44 Ų | 44 | 30.2 Ų | 30.2 | 27% | 0.27 | 17% | 0.174 | S | C | . | . | trans | -66.3 | 133.2 | 165 | -56.4 | 0 | 0 | 0 | 0 | 108.8 | F37 D478 G479 D484 | F37-T476 HydrophobicContact CD1-CG2 4.27Å; F37-T476 HydrophobicContact CE1-CG2 4.13Å; T476-D478 PolarHBondContact O-N 3.04Å; T476-D478 VanDerWaalsContact O-N 3.07Å; T476-G479 PolarHBondContact O-N 2.95Å; T476-D484 WeakPolarHBondContact CB-O 3.1Å; T476-D484 PolarHBondContact N-O 3.01Å; T476-D484 PolarHBondContact OG1-O 3.2Å | ||
| 477 | P | 92.6 | Very high | 96.7 | Very high | 84 Ų | 84 | 30.1 Ų | 30.1 | 55% | 0.545 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.4 | -39.5 | -174.3 | -31.6 | 36 | 0 | 0 | 0 | 115.4 | F37 | F37-P477 HydrophobicContact CB-CG 3.83Å; F37-P477 HydrophobicContact CG-CG 4.33Å |
| 478 | D | 89.6 | Confident | 96.8 | Very high | 150 Ų | 150 | 29.9 Ų | 29.9 | 80% | 0.802 | 17% | 0.172 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -102.6 | 17.2 | 179.6 | -54.1 | -52.3 | 0 | 0 | 0 | 112.9 | T476 V480 | T476-D478 PolarHBondContact O-N 3.04Å; T476-D478 VanDerWaalsContact O-N 3.07Å; D478-V480 PolarHBondContact O-N 3.29Å |
| 479 | G | 90.3 | Very high | 96.8 | Very high | 8 Ų | 8 | 29.6 Ų | 29.6 | 8% | 0.082 | 17% | 0.17 | C | C | . | . | trans | -64.3 | 128 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | K426 T476 D484 | K426-G479 PolarHBondContact NZ-O 2.79Å; T476-G479 PolarHBondContact O-N 2.95Å; G479-D484 VanDerWaalsContact CA-CB 3.47Å | ||
| 480 | V | 92.3 | Very high | 96.8 | Very high | 118 Ų | 118 | 29.7 Ų | 29.7 | 72% | 0.715 | 17% | 0.17 | S | C | * | . | trans | -96 | -46.8 | -178.3 | 178.4 | 0 | 0 | 0 | 0 | 109.9 | D478 D484 | D478-V480 PolarHBondContact O-N 3.29Å; V480-D484 PolarHBondContact N-OD2 3.24Å | ||
| 481 | D | 96.9 | Very high | 96.8 | Very high | 80 Ų | 80 | 29.6 Ų | 29.6 | 43% | 0.428 | 17% | 0.169 | S | C | . | . | S | Bend | trans | -75.3 | 154.4 | -179.8 | -62.1 | -33.7 | 0 | 0 | 0 | 110.9 | D483 D484 K508 | D481-D483 PolarHBondContact O-N 2.88Å; D481-D484 HydrophobicContact CB-CB 4.45Å; D481-D484 PolarHBondContact N-OD2 3.37Å; D481-D484 WeakPolarHBondContact O-CB 3.35Å; D481-D484 PolarHBondContact O-N 2.99Å; D481-D484 VanDerWaalsContact O-N 3.14Å; D481-K508 IonicContact OD2-NZ 2.63Å; D481-K508 PolarHBondContact OD2-NZ 3.15Å |
| 482 | E | 97.8 | Very high | 96.7 | Very high | 15 Ų | 15 | 30 Ų | 30 | 7% | 0.07 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -34.7 | 179.6 | 179.3 | 178.9 | 158.6 | 0 | 0 | 112.4 | N423 Y427 S433 Y434 F473 | N423-E482 PolarHBondContact ND2-O 3.33Å; Y427-E482 HydrophobicContact CD1-CG 4.39Å; Y427-E482 HydrophobicContact CD2-CG 3.86Å; Y427-E482 HydrophobicContact CE1-CB 4.42Å; Y427-E482 HydrophobicContact CE1-CG 4.26Å; Y427-E482 HydrophobicContact CE2-CB 3.91Å; Y427-E482 HydrophobicContact CE2-CG 3.71Å; Y427-E482 HydrophobicContact CG-CG 4.2Å; S433-E482 WeakPolarHBondContact CA-OE2 3.39Å; S433-E482 WeakPolarHBondContact CB-OE2 3.16Å; S433-E482 PolarHBondContact N-OE1 2.97Å; S433-E482 PolarHBondContact N-OE2 3.09Å; S433-E482 PolarHBondContact OG-OE2 2.95Å; Y434-E482 HydrophobicContact CD2-CB 3.96Å; Y434-E482 HydrophobicContact CD2-CG 3.96Å; Y434-E482 HydrophobicContact CE2-CB 4.34Å; Y434-E482 PolarHBondContact N-OE1 3.15Å; F473-E482 WeakPolarHBondContact CZ-O 3.43Å |
| 483 | D | 98.3 | Very high | 96.7 | Very high | 11 Ų | 11 | 29.6 Ų | 29.6 | 6% | 0.059 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.4 | 14.2 | -178.8 | 61.9 | -3.3 | 0 | 0 | 0 | 114.3 | Y434 Y436 K450 D481 G485 K508 | Y434-D483 HydrophobicContact CD2-CB 3.84Å; Y434-D483 HydrophobicContact CE2-CB 4.14Å; Y434-D483 HydrophobicContact CG-CB 4.35Å; Y436-D483 WeakPolarHBondContact OH-CA 3.14Å; Y436-D483 WeakPolarHBondContact OH-CB 3.43Å; K450-D483 IonicContact NZ-OD2 2.65Å; K450-D483 PolarHBondContact NZ-OD2 2.88Å; D481-D483 PolarHBondContact O-N 2.88Å; D483-G485 VanDerWaalsContact C-N 3.29Å; D483-G485 PolarHBondContact O-N 3.19Å; D483-K508 HydrophobicContact CB-CG 4.39Å; D483-K508 WeakPolarHBondContact O-CG 3.39Å; D483-K508 WeakPolarHBondContact OD1-CE 3.22Å |
| 484 | D | 97.8 | Very high | 96.3 | Very high | 35 Ų | 35 | 30 Ų | 30 | 19% | 0.187 | 18% | 0.176 | C | C | . | . | trans | -72.4 | 81.3 | 170.8 | -84.3 | -25.4 | 0 | 0 | 0 | 111.2 | T476 G479 V480 D481 K508 | T476-D484 WeakPolarHBondContact CB-O 3.1Å; T476-D484 PolarHBondContact N-O 3.01Å; T476-D484 PolarHBondContact OG1-O 3.2Å; G479-D484 VanDerWaalsContact CA-CB 3.47Å; V480-D484 PolarHBondContact N-OD2 3.24Å; D481-D484 HydrophobicContact CB-CB 4.45Å; D481-D484 PolarHBondContact N-OD2 3.37Å; D481-D484 WeakPolarHBondContact O-CB 3.35Å; D481-D484 PolarHBondContact O-N 2.99Å; D481-D484 VanDerWaalsContact O-N 3.14Å; D484-K508 WeakPolarHBondContact OD1-CE 3.4Å; D484-K508 IonicContact OD1-NZ 3.54Å; D484-K508 PolarHBondContact OD1-NZ 3.45Å | ||
| 485 | G | 98.1 | Very high | 95.5 | Very high | 5 Ų | 5 | 33 Ų | 33 | 5% | 0.052 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -172.1 | -166.6 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | V474 D483 A507 | V474-G485 CarbonylContact O-C 3.58Å; V474-G485 WeakPolarHBondContact O-CA 3.44Å; D483-G485 VanDerWaalsContact C-N 3.29Å; D483-G485 PolarHBondContact O-N 3.19Å; G485-A507 WeakPolarHBondContact O-CB 3.46Å; G485-A507 PolarHBondContact O-N 3.46Å |
| 486 | V | 98.7 | Very high | 95 | Very high | 4 Ų | 4 | 35.1 Ų | 35.1 | 2% | 0.024 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 156.3 | 175.3 | -62.5 | 0 | 0 | 0 | 0 | 110.8 | P35 F37 L38 V474 L488 I504 L505 I513 | P35-V486 HydrophobicContact CG-CG1 4.24Å; F37-V486 HydrophobicContact CE2-CG2 4.33Å; F37-V486 HydrophobicContact CZ-CG1 4.1Å; F37-V486 HydrophobicContact CZ-CG2 4.11Å; L38-V486 HydrophobicContact CD1-CG2 4.17Å; L38-V486 HydrophobicContact CD2-CG2 3.93Å; L38-V486 HydrophobicContact CG-CG2 4.41Å; V474-V486 HydrophobicContact CB-CG2 4.08Å; V474-V486 PolarHBondContact N-O 3.42Å; V474-V486 PolarHBondContact O-N 2.85Å; V486-L488 HydrophobicContact CG2-CD2 4.26Å; V486-I504 HydrophobicContact CB-CG2 3.89Å; V486-I504 HydrophobicContact CG1-CG2 4.08Å; V486-I504 HydrophobicContact CG2-CG2 4.24Å; V486-L505 CarbonylContact C-O 3.47Å; V486-L505 WeakPolarHBondContact CA-O 3.3Å; V486-L505 WeakPolarHBondContact CB-O 3.47Å; V486-I513 HydrophobicContact CG1-CD1 3.54Å |
| 487 | L | 98.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 133.6 | 169 | -54.5 | 176.4 | 0 | 0 | 0 | 109.4 | Y436 I448 P471 L472 F473 I504 L505 A507 L510 | Y436-L487 HydrophobicContact CD1-CD1 3.51Å; Y436-L487 HydrophobicContact CD1-CD2 3.74Å; Y436-L487 HydrophobicContact CD1-CG 4.17Å; Y436-L487 HydrophobicContact CD2-CD2 3.81Å; Y436-L487 HydrophobicContact CE1-CD1 4.1Å; Y436-L487 HydrophobicContact CE1-CD2 4.07Å; Y436-L487 HydrophobicContact CE1-CG 4.47Å; Y436-L487 HydrophobicContact CE2-CD2 4.17Å; Y436-L487 HydrophobicContact CG-CD1 4Å; Y436-L487 HydrophobicContact CG-CD2 3.59Å; Y436-L487 HydrophobicContact CG-CG 4.43Å; I448-L487 HydrophobicContact CG2-CD1 4.15Å; P471-L487 HydrophobicContact CB-CB 4.19Å; P471-L487 HydrophobicContact CB-CD1 4.2Å; L472-L487 CarbonylContact O-C 3.58Å; L472-L487 WeakPolarHBondContact O-CA 3.47Å; F473-L487 HydrophobicContact CB-CD2 3.98Å; F473-L487 HydrophobicContact CD2-CD2 3.86Å; F473-L487 HydrophobicContact CG-CD2 4.41Å; L487-I504 WeakPolarHBondContact O-CA 3.31Å; L487-L505 HydrophobicContact CB-CB 4.27Å; L487-L505 PolarHBondContact N-O 3.22Å; L487-L505 PolarHBondContact O-N 2.96Å; L487-A507 HydrophobicContact CD2-CB 4.23Å; L487-A507 HydrophobicContact CG-CB 4.12Å; L487-L510 HydrophobicContact CD1-CD2 3.39Å |
| 488 | L | 98.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 122.8 | 174 | -53.6 | -177.6 | 0 | 0 | 0 | 109 | L38 L42 F72 L472 V474 V486 M502 I504 Y530 | L38-L488 HydrophobicContact CD1-CD2 4.07Å; L42-L488 HydrophobicContact CD1-CB 4.41Å; L42-L488 HydrophobicContact CD1-CD1 4.49Å; L42-L488 HydrophobicContact CD2-CB 4.45Å; F72-L488 HydrophobicContact CE2-CD1 4.2Å; F72-L488 HydrophobicContact CZ-CD1 4.22Å; F72-L488 HydrophobicContact CZ-CD2 4.29Å; L472-L488 PolarHBondContact N-O 2.73Å; L472-L488 PolarHBondContact O-N 2.91Å; V474-L488 HydrophobicContact CG2-CD1 3.73Å; V474-L488 HydrophobicContact CG2-CG 4.09Å; V486-L488 HydrophobicContact CG2-CD2 4.26Å; L488-M502 HydrophobicContact CB-SD 4.11Å; L488-I504 HydrophobicContact CD2-CB 4.46Å; L488-I504 HydrophobicContact CD2-CD1 4.42Å; L488-I504 HydrophobicContact CD2-CG1 3.94Å; L488-I504 HydrophobicContact CD2-CG2 4.15Å; L488-Y530 HydrophobicContact CD1-CD2 3.51Å; L488-Y530 HydrophobicContact CD1-CE2 3.76Å; L488-Y530 HydrophobicContact CD1-CG 4.24Å |
| 489 | T | 98.7 | Very high | 94.6 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 141.3 | 176.4 | -179.4 | 0 | 0 | 0 | 0 | 110.8 | I448 S469 V491 L503 | I448-T489 HydrophobicContact CD1-CG2 4.32Å; I448-T489 HydrophobicContact CG1-CG2 4.13Å; S469-T489 PolarHBondContact N-OG1 3.2Å; S469-T489 VanDerWaalsContact N-OG1 3.14Å; S469-T489 PolarHBondContact O-OG1 2.77Å; S469-T489 PolarHBondContact OG-OG1 3.34Å; T489-V491 HydrophobicContact CG2-CG2 4.15Å; T489-L503 HydrophobicContact CG2-CB 3.75Å; T489-L503 HydrophobicContact CG2-CD2 3.79Å; T489-L503 HydrophobicContact CG2-CG 4.16Å; T489-L503 PolarHBondContact N-O 2.68Å; T489-L503 VanDerWaalsContact N-O 3.11Å; T489-L503 PolarHBondContact O-N 3.08Å |
| 490 | I | 98.7 | Very high | 94.9 | Very high | 7 Ų | 7 | 34.5 Ų | 34.5 | 4% | 0.036 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 129 | 170.9 | -59 | 176.7 | 0 | 0 | 0 | 107.3 | L42 R44 H68 F70 P468 S469 M502 I522 T525 | L42-I490 HydrophobicContact CD2-CG1 4.33Å; R44-I490 HydrophobicContact CB-CD1 4.39Å; R44-I490 HydrophobicContact CG-CD1 4.37Å; H68-I490 HydrophobicContact CB-CD1 4.44Å; F70-I490 HydrophobicContact CD2-CD1 4.16Å; F70-I490 HydrophobicContact CD2-CG1 4.2Å; F70-I490 HydrophobicContact CE2-CD1 3.83Å; F70-I490 HydrophobicContact CE2-CG1 3.83Å; F70-I490 HydrophobicContact CE2-CG2 4.47Å; P468-I490 CarbonylContact C-O 3.45Å; P468-I490 WeakPolarHBondContact CA-O 3.49Å; S469-I490 PolarHBondContact N-O 2.73Å; S469-I490 PolarHBondContact OG-N 3.17Å; S469-I490 PolarHBondContact OG-O 3.18Å; I490-M502 HydrophobicContact CG1-CE 3.54Å; I490-I522 HydrophobicContact CG2-CB 4.28Å; I490-I522 HydrophobicContact CG2-CD1 3.86Å; I490-I522 HydrophobicContact CG2-CG2 3.98Å; I490-T525 HydrophobicContact CD1-CG2 4.48Å |
| 491 | V | 98.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 124.5 | 176 | -172.1 | 0 | 0 | 0 | 0 | 109.6 | W461 P468 T489 A500 Y501 L503 | W461-V491 HydrophobicContact CH2-CG1 4.27Å; W461-V491 HydrophobicContact CH2-CG2 4.03Å; W461-V491 HydrophobicContact CZ3-CG2 4.32Å; P468-V491 HydrophobicContact CB-CG2 4.14Å; T489-V491 HydrophobicContact CG2-CG2 4.15Å; V491-A500 CarbonylContact O-C 3.49Å; V491-A500 WeakPolarHBondContact O-CA 3.42Å; V491-A500 WeakPolarHBondContact O-CB 3.42Å; V491-Y501 HydrophobicContact CB-CD1 4.44Å; V491-Y501 HydrophobicContact CB-CD2 3.9Å; V491-Y501 HydrophobicContact CB-CE1 4.07Å; V491-Y501 HydrophobicContact CB-CE2 3.46Å; V491-Y501 VanDerWaalsContact CB-CE2 3.46Å; V491-Y501 HydrophobicContact CB-CG 4.36Å; V491-Y501 HydrophobicContact CG1-CE1 4.03Å; V491-Y501 HydrophobicContact CG1-CE2 4Å; V491-Y501 WeakPolarHBondContact CG1-OH 3.37Å; V491-Y501 HydrophobicContact CG2-CD2 4.1Å; V491-Y501 HydrophobicContact CG2-CE2 3.52Å; V491-Y501 PolarHBondContact N-O 3.3Å; V491-Y501 PolarHBondContact O-N 3.03Å; V491-L503 HydrophobicContact CG2-CB 3.84Å; V491-L503 HydrophobicContact CG2-CD2 3.96Å |
| 492 | A | 98.1 | Very high | 95.3 | Very high | 9 Ų | 9 | 25.2 Ų | 25.2 | 7% | 0.074 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 123.6 | 165.4 | 0 | 0 | 0 | 0 | 0 | 109 | I15 S466 Y467 P494 | I15-A492 HydrophobicContact CG2-CB 3.52Å; S466-A492 WeakPolarHBondContact CA-O 3.11Å; Y467-A492 WeakPolarHBondContact CD2-O 3.22Å; Y467-A492 PolarHBondContact N-O 3.49Å; Y467-A492 PolarHBondContact O-N 3.07Å; A492-P494 VanDerWaalsContact C-CD 3.44Å; A492-P494 WeakPolarHBondContact O-CD 3.5Å |
| 493 | A | 96.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 15% | 0.147 | C | C | . | . | trans | -128.9 | 64.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | G495 S496 P499 Y501 | A493-G495 PolarHBondContact O-N 3.33Å; A493-S496 VanDerWaalsContact O-CB 3.3Å; A493-S496 WeakPolarHBondContact O-CB 3.35Å; A493-S496 PolarHBondContact O-N 3.17Å; A493-P499 CarbonylContact C-O 3.58Å; A493-P499 PolarHBondContact N-O 3.32Å; A493-Y501 HydrophobicContact CB-CD1 4.21Å; A493-Y501 HydrophobicContact CB-CE1 3.67Å | ||
| 494 | P | 91.4 | Very high | 95.4 | Very high | 34 Ų | 34 | 24 Ų | 24 | 22% | 0.221 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -17.8 | -169.9 | 24.2 | -36.1 | 0 | 0 | 0 | 115.4 | S11 K14 Y467 A492 S496 | S11-P494 WeakPolarHBondContact O-CG 3.4Å; K14-P494 HydrophobicContact CB-CB 3.82Å; K14-P494 HydrophobicContact CB-CG 4.06Å; K14-P494 HydrophobicContact CG-CB 3.61Å; K14-P494 HydrophobicContact CG-CG 4.13Å; Y467-P494 HydrophobicContact CD2-CG 4.34Å; Y467-P494 HydrophobicContact CE2-CG 3.94Å; A492-P494 VanDerWaalsContact C-CD 3.44Å; A492-P494 WeakPolarHBondContact O-CD 3.5Å; P494-S496 VanDerWaalsContact C-N 3.32Å |
| 495 | G | 81.9 | Confident | 95.4 | Very high | 67 Ų | 67 | 22.3 Ų | 22.3 | 69% | 0.691 | 14% | 0.135 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.4 | -7.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | A493 | A493-G495 PolarHBondContact O-N 3.33Š|
| 496 | S | 86.2 | Confident | 95.4 | Very high | 67 Ų | 67 | 24.1 Ų | 24.1 | 47% | 0.469 | 14% | 0.144 | S | C | . | . | S | Bend | trans | -94 | 159.3 | -177.3 | -61.6 | 0 | 0 | 0 | 0 | 112 | A493 P494 R498 | A493-S496 VanDerWaalsContact O-CB 3.3Å; A493-S496 WeakPolarHBondContact O-CB 3.35Å; A493-S496 PolarHBondContact O-N 3.17Å; P494-S496 VanDerWaalsContact C-N 3.32Å; S496-R498 WeakPolarHBondContact CB-O 3.31Å; S496-R498 PolarHBondContact O-N 3.5Å |
| 497 | Q | 84.6 | Confident | 95.4 | Very high | 193 Ų | 193 | 24 Ų | 24 | 90% | 0.902 | 14% | 0.143 | S | C | * | . | S | Bend | trans | -56.3 | -35.5 | 174.1 | -176 | 179.6 | 6.7 | 0 | 0 | 111.9 | ||
| 498 | R | 90 | Very high | 95.4 | Very high | 58 Ų | 58 | 27.3 Ų | 27.3 | 22% | 0.219 | 16% | 0.157 | C | C | . | . | S | Bend | trans | -107.7 | 111.5 | 172.1 | -70.6 | -175.3 | -176.4 | 130 | 0.2 | 108.7 | T29 S496 A500 E517 V518 | T29-R498 PolarHBondContact OG1-NH2 3.23Å; S496-R498 WeakPolarHBondContact CB-O 3.31Å; S496-R498 PolarHBondContact O-N 3.5Å; R498-A500 PolarHBondContact O-N 3.14Å; R498-E517 HydrophobicContact CB-CB 4Å; R498-E517 HydrophobicContact CG-CB 4.27Å; R498-E517 IonicContact CZ-OE2 3.59Å; R498-E517 IonicContact NH1-OE2 2.72Å; R498-E517 PolarHBondContact NH1-OE2 3.42Å; R498-V518 WeakPolarHBondContact CB-O 3.46Å |
| 499 | P | 93.2 | Very high | 95.4 | Very high | 22 Ų | 22 | 31.1 Ų | 31.1 | 14% | 0.143 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -76.3 | -4.4 | -164.9 | 30.1 | -37.9 | 0 | 0 | 0 | 114.4 | A493 V518 C520 | A493-P499 CarbonylContact C-O 3.58Å; A493-P499 PolarHBondContact N-O 3.32Å; P499-V518 WeakPolarHBondContact CD-O 3.45Å; P499-C520 VanDerWaalsContact CG-C 3.46Å |
| 500 | A | 97.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.7 | 160 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | V491 R498 V518 I522 | V491-A500 CarbonylContact O-C 3.49Å; V491-A500 WeakPolarHBondContact O-CA 3.42Å; V491-A500 WeakPolarHBondContact O-CB 3.42Å; R498-A500 PolarHBondContact O-N 3.14Å; A500-V518 HydrophobicContact CB-CG2 3.84Å; A500-V518 VanDerWaalsContact O-CG2 3.27Å; A500-V518 WeakPolarHBondContact O-CG2 3.34Å; A500-V518 PolarHBondContact O-N 3.01Å; A500-I522 HydrophobicContact CB-CB 3.99Å; A500-I522 HydrophobicContact CB-CD1 3.76Å; A500-I522 HydrophobicContact CB-CG1 3.62Å |
| 501 | Y | 98.4 | Very high | 95.4 | Very high | 2 Ų | 2 | 33.5 Ų | 33.5 | 1% | 0.008 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 154.1 | 176.2 | 55 | -95.3 | 0 | 0 | 0 | 112.8 | E463 V491 A493 L503 R515 A516 | E463-Y501 PolarHBondContact OE2-OH 2.81Å; E463-Y501 VanDerWaalsContact OE2-OH 3.09Å; V491-Y501 HydrophobicContact CB-CD1 4.44Å; V491-Y501 HydrophobicContact CB-CD2 3.9Å; V491-Y501 HydrophobicContact CB-CE1 4.07Å; V491-Y501 HydrophobicContact CB-CE2 3.46Å; V491-Y501 VanDerWaalsContact CB-CE2 3.46Å; V491-Y501 HydrophobicContact CB-CG 4.36Å; V491-Y501 HydrophobicContact CG1-CE1 4.03Å; V491-Y501 HydrophobicContact CG1-CE2 4Å; V491-Y501 WeakPolarHBondContact CG1-OH 3.37Å; V491-Y501 HydrophobicContact CG2-CD2 4.1Å; V491-Y501 HydrophobicContact CG2-CE2 3.52Å; V491-Y501 PolarHBondContact N-O 3.3Å; V491-Y501 PolarHBondContact O-N 3.03Å; A493-Y501 HydrophobicContact CB-CD1 4.21Å; A493-Y501 HydrophobicContact CB-CE1 3.67Å; Y501-L503 HydrophobicContact CD2-CB 4.01Å; Y501-L503 HydrophobicContact CE2-CB 3.89Å; Y501-L503 HydrophobicContact CE2-CD1 4.12Å; Y501-L503 HydrophobicContact CE2-CD2 4.49Å; Y501-L503 HydrophobicContact CE2-CG 4.4Å; Y501-R515 HydrophobicContact CD2-CB 3.89Å; Y501-R515 HydrophobicContact CG-CB 4.4Å; Y501-R515 PolarHBondContact OH-NH1 3.34Å; Y501-A516 CarbonylContact C-O 3.6Å; Y501-A516 WeakPolarHBondContact CA-O 3.4Å |
| 502 | M | 98.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 118.8 | 163.4 | 172.6 | 51.9 | 49.3 | 0 | 0 | 109 | L42 F70 F72 L488 I490 R515 A516 | L42-M502 HydrophobicContact CD2-CE 3.07Å; L42-M502 HydrophobicContact CD2-SD 3.97Å; L42-M502 HydrophobicContact CG-CE 4.45Å; F70-M502 HydrophobicContact CB-CE 4.02Å; F70-M502 HydrophobicContact CD1-CB 3.58Å; F70-M502 HydrophobicContact CD1-CE 4.27Å; F70-M502 HydrophobicContact CD1-CG 4.25Å; F70-M502 HydrophobicContact CD2-CE 3.43Å; F70-M502 VanDerWaalsContact CD2-CE 3.43Å; F70-M502 HydrophobicContact CE1-CB 3.58Å; F70-M502 HydrophobicContact CE2-CE 3.86Å; F70-M502 HydrophobicContact CG-CB 4.05Å; F70-M502 HydrophobicContact CG-CE 3.65Å; F70-M502 HydrophobicContact CG-CG 4.37Å; F70-M502 HydrophobicContact CZ-CB 4.07Å; F70-M502 HydrophobicContact CZ-CE 4.44Å; F72-M502 HydrophobicContact CE1-CG 4.22Å; F72-M502 HydrophobicContact CZ-CG 3.78Å; F72-M502 HydrophobicContact CZ-SD 4.23Å; L488-M502 HydrophobicContact CB-SD 4.11Å; I490-M502 HydrophobicContact CG1-CE 3.54Å; M502-R515 CarbonylContact O-C 3.55Å; M502-R515 WeakPolarHBondContact O-CA 3.42Å; M502-A516 HydrophobicContact CB-CB 4.16Å; M502-A516 PolarHBondContact N-O 3.39Å; M502-A516 PolarHBondContact O-N 3.21Å |
| 503 | L | 98.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 136.4 | 178.1 | -179 | 66 | 0 | 0 | 0 | 110.8 | W461 T489 V491 Y501 L505 E512 R515 | W461-L503 HydrophobicContact CD2-CD2 3.77Å; W461-L503 VanDerWaalsContact CE2-CD2 3.47Å; W461-L503 HydrophobicContact CE3-CD2 3.88Å; W461-L503 HydrophobicContact CH2-CD2 3.5Å; W461-L503 HydrophobicContact CZ2-CD1 4.37Å; W461-L503 HydrophobicContact CZ2-CD2 3.34Å; W461-L503 HydrophobicContact CZ2-CG 4.49Å; W461-L503 HydrophobicContact CZ3-CD2 3.76Å; T489-L503 HydrophobicContact CG2-CB 3.75Å; T489-L503 HydrophobicContact CG2-CD2 3.79Å; T489-L503 HydrophobicContact CG2-CG 4.16Å; T489-L503 PolarHBondContact N-O 2.68Å; T489-L503 VanDerWaalsContact N-O 3.11Å; T489-L503 PolarHBondContact O-N 3.08Å; V491-L503 HydrophobicContact CG2-CB 3.84Å; V491-L503 HydrophobicContact CG2-CD2 3.96Å; Y501-L503 HydrophobicContact CD2-CB 4.01Å; Y501-L503 HydrophobicContact CE2-CB 3.89Å; Y501-L503 HydrophobicContact CE2-CD1 4.12Å; Y501-L503 HydrophobicContact CE2-CD2 4.49Å; Y501-L503 HydrophobicContact CE2-CG 4.4Å; L503-L505 HydrophobicContact CD1-CD2 3.97Å; L503-L505 HydrophobicContact CD2-CD1 4.12Å; L503-L505 HydrophobicContact CD2-CD2 3.79Å; L503-L505 HydrophobicContact CD2-CG 3.93Å; L503-L505 HydrophobicContact CG-CD2 3.81Å; L503-L505 HydrophobicContact CG-CG 3.98Å; L503-E512 HydrophobicContact CD1-CB 4.46Å; L503-E512 HydrophobicContact CD1-CG 3.7Å; L503-R515 HydrophobicContact CD1-CB 4.44Å |
| 504 | I | 98.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 113.1 | 175.6 | -49.6 | -177.6 | 0 | 0 | 0 | 108.4 | I34 L38 F72 V486 L487 L488 I513 A514 | I34-I504 HydrophobicContact CD1-CD1 3.49Å; I34-I504 VanDerWaalsContact CD1-CD1 3.49Å; I34-I504 HydrophobicContact CG2-CD1 4.2Å; L38-I504 HydrophobicContact CD1-CD1 3.84Å; L38-I504 HydrophobicContact CD1-CG2 4.32Å; F72-I504 HydrophobicContact CE1-CD1 3.98Å; V486-I504 HydrophobicContact CB-CG2 3.89Å; V486-I504 HydrophobicContact CG1-CG2 4.08Å; V486-I504 HydrophobicContact CG2-CG2 4.24Å; L487-I504 WeakPolarHBondContact O-CA 3.31Å; L488-I504 HydrophobicContact CD2-CB 4.46Å; L488-I504 HydrophobicContact CD2-CD1 4.42Å; L488-I504 HydrophobicContact CD2-CG1 3.94Å; L488-I504 HydrophobicContact CD2-CG2 4.15Å; I504-I513 HydrophobicContact CG2-CB 4.29Å; I504-I513 HydrophobicContact CG2-CD1 4.41Å; I504-I513 PolarHBondContact O-N 2.71Å; I504-A514 HydrophobicContact CD1-CB 4.32Å; I504-A514 PolarHBondContact N-O 3.27Å; I504-A514 PolarHBondContact O-N 3.46Å |
| 505 | L | 98.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 146.6 | 177 | -58.2 | 179.4 | 0 | 0 | 0 | 110.7 | I448 W461 V486 L487 L503 A507 L510 S511 E512 | I448-L505 HydrophobicContact CB-CD1 4.24Å; I448-L505 HydrophobicContact CG1-CD1 4.41Å; I448-L505 HydrophobicContact CG2-CD1 4.15Å; W461-L505 HydrophobicContact CB-CD1 3.78Å; W461-L505 HydrophobicContact CD2-CD1 4.26Å; W461-L505 HydrophobicContact CD2-CD2 4.5Å; W461-L505 HydrophobicContact CG-CD1 3.84Å; W461-L505 HydrophobicContact CG-CD2 4.04Å; V486-L505 CarbonylContact C-O 3.47Å; V486-L505 WeakPolarHBondContact CA-O 3.3Å; V486-L505 WeakPolarHBondContact CB-O 3.47Å; L487-L505 HydrophobicContact CB-CB 4.27Å; L487-L505 PolarHBondContact N-O 3.22Å; L487-L505 PolarHBondContact O-N 2.96Å; L503-L505 HydrophobicContact CD1-CD2 3.97Å; L503-L505 HydrophobicContact CD2-CD1 4.12Å; L503-L505 HydrophobicContact CD2-CD2 3.79Å; L503-L505 HydrophobicContact CD2-CG 3.93Å; L503-L505 HydrophobicContact CG-CD2 3.81Å; L503-L505 HydrophobicContact CG-CG 3.98Å; L505-A507 PolarHBondContact O-N 2.89Å; L505-L510 HydrophobicContact CD1-CD2 4.4Å; L505-S511 CarbonylContact C-O 3.56Å; L505-S511 WeakPolarHBondContact CA-O 3.27Å; L505-E512 HydrophobicContact CD2-CB 4.03Å |
| 506 | N | 98.6 | Very high | 96.6 | Very high | 44 Ų | 44 | 35.7 Ų | 35.7 | 24% | 0.235 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 122.2 | 163.6 | -178 | -10.5 | 0 | 0 | 0 | 108.9 | K508 D509 L510 S511 I513 | N506-K508 PolarHBondContact O-N 3.16Å; N506-K508 WeakPolarHBondContact OD1-CB 3.36Å; N506-K508 PolarHBondContact OD1-N 3.49Å; N506-D509 WeakPolarHBondContact CB-OD1 3.36Å; N506-D509 PolarHBondContact ND2-OD1 2.88Å; N506-L510 WeakPolarHBondContact O-CA 3.43Å; N506-L510 PolarHBondContact O-N 3.27Å; N506-S511 WeakPolarHBondContact CB-OG 3.42Å; N506-S511 PolarHBondContact N-O 2.98Å; N506-I513 HydrophobicContact CB-CD1 3.89Å; N506-I513 HydrophobicContact CB-CG1 4.08Å |
| 507 | A | 98.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -16.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y436 K450 F473 G485 L487 L505 | Y436-A507 HydrophobicContact CE1-CB 4.05Å; Y436-A507 WeakPolarHBondContact CE1-O 3.45Å; K450-A507 WeakPolarHBondContact CD-O 3.08Å; K450-A507 WeakPolarHBondContact CE-O 3.23Å; K450-A507 PolarHBondContact NZ-O 3.08Å; F473-A507 HydrophobicContact CD2-CB 3.86Å; F473-A507 HydrophobicContact CE2-CB 3.58Å; G485-A507 WeakPolarHBondContact O-CB 3.46Å; G485-A507 PolarHBondContact O-N 3.46Å; L487-A507 HydrophobicContact CD2-CB 4.23Å; L487-A507 HydrophobicContact CG-CB 4.12Å; L505-A507 PolarHBondContact O-N 2.89Å |
| 508 | K | 98.1 | Very high | 97.7 | Very high | 70 Ų | 70 | 25.1 Ų | 25.1 | 30% | 0.304 | 13% | 0.126 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -49.4 | 177.2 | -73.9 | -165 | 151.6 | 167.3 | 0 | 113.3 | K450 D481 D483 D484 N506 | K450-K508 PolarHBondContact NZ-O 2.94Å; D481-K508 IonicContact OD2-NZ 2.63Å; D481-K508 PolarHBondContact OD2-NZ 3.15Å; D483-K508 HydrophobicContact CB-CG 4.39Å; D483-K508 WeakPolarHBondContact O-CG 3.39Å; D483-K508 WeakPolarHBondContact OD1-CE 3.22Å; D484-K508 WeakPolarHBondContact OD1-CE 3.4Å; D484-K508 IonicContact OD1-NZ 3.54Å; D484-K508 PolarHBondContact OD1-NZ 3.45Å; N506-K508 PolarHBondContact O-N 3.16Å; N506-K508 WeakPolarHBondContact OD1-CB 3.36Å; N506-K508 PolarHBondContact OD1-N 3.49Å |
| 509 | D | 97.9 | Very high | 98 | Very high | 81 Ų | 81 | 29.8 Ų | 29.8 | 43% | 0.433 | 15% | 0.15 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -127.4 | 1 | -169.6 | 60.9 | 8.7 | 0 | 0 | 0 | 114.2 | N506 S511 | N506-D509 WeakPolarHBondContact CB-OD1 3.36Å; N506-D509 PolarHBondContact ND2-OD1 2.88Å; D509-S511 VanDerWaalsContact CG-OG 3.3Å; D509-S511 PolarHBondContact O-N 3.32Å; D509-S511 WeakPolarHBondContact OD1-CB 3.26Å; D509-S511 PolarHBondContact OD1-N 2.66Å; D509-S511 PolarHBondContact OD1-OG 3.14Å; D509-S511 PolarHBondContact OD2-OG 2.96Å |
| 510 | L | 98.6 | Very high | 98.1 | Very high | 6 Ų | 6 | 29.9 Ų | 29.9 | 3% | 0.031 | 15% | 0.151 | C | C | . | . | trans | 59.5 | 20.6 | -173.3 | -54.9 | -175.2 | 0 | 0 | 0 | 114.4 | I448 K450 W459 W461 L487 L505 N506 | I448-L510 HydrophobicContact CG2-CD1 4.45Å; I448-L510 HydrophobicContact CG2-CD2 4.39Å; K450-L510 HydrophobicContact CB-CD1 3.95Å; K450-L510 HydrophobicContact CB-CD2 4.21Å; K450-L510 HydrophobicContact CB-CG 4.14Å; W459-L510 HydrophobicContact CB-CD1 3.79Å; W459-L510 HydrophobicContact CB-CG 4.05Å; W459-L510 WeakPolarHBondContact O-CD1 3.45Å; W461-L510 HydrophobicContact CB-CB 4.16Å; L487-L510 HydrophobicContact CD1-CD2 3.39Å; L505-L510 HydrophobicContact CD1-CD2 4.4Å; N506-L510 WeakPolarHBondContact O-CA 3.43Å; N506-L510 PolarHBondContact O-N 3.27Å | ||
| 511 | S | 98.6 | Very high | 97.9 | Very high | 51 Ų | 51 | 32.4 Ų | 32.4 | 36% | 0.357 | 17% | 0.169 | S | C | . | . | trans | -67.3 | 142.7 | 169.7 | 61.3 | 0 | 0 | 0 | 0 | 110.6 | L505 N506 D509 | L505-S511 CarbonylContact C-O 3.56Å; L505-S511 WeakPolarHBondContact CA-O 3.27Å; N506-S511 WeakPolarHBondContact CB-OG 3.42Å; N506-S511 PolarHBondContact N-O 2.98Å; D509-S511 VanDerWaalsContact CG-OG 3.3Å; D509-S511 PolarHBondContact O-N 3.32Å; D509-S511 WeakPolarHBondContact OD1-CB 3.26Å; D509-S511 PolarHBondContact OD1-N 2.66Å; D509-S511 PolarHBondContact OD1-OG 3.14Å; D509-S511 PolarHBondContact OD2-OG 2.96Å | ||
| 512 | E | 98.7 | Very high | 97.9 | Very high | 68 Ų | 68 | 32.5 Ų | 32.5 | 32% | 0.318 | 17% | 0.169 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 129.8 | 176.6 | -179.6 | 176.3 | 157.1 | 0 | 0 | 111.8 | L503 L505 R515 | L503-E512 HydrophobicContact CD1-CB 4.46Å; L503-E512 HydrophobicContact CD1-CG 3.7Å; L505-E512 HydrophobicContact CD2-CB 4.03Å; E512-R515 VanDerWaalsContact CD-NH2 3.3Å; E512-R515 IonicContact OE1-CZ 2.8Å; E512-R515 IonicContact OE1-NE 3.65Å; E512-R515 PolarHBondContact OE1-NE 2.81Å; E512-R515 IonicContact OE1-NH2 2.73Å; E512-R515 PolarHBondContact OE1-NH2 2.91Å; E512-R515 IonicContact OE2-CZ 3.22Å; E512-R515 IonicContact OE2-NE 2.78Å; E512-R515 IonicContact OE2-NH2 3.9Å; E512-R515 PolarHBondContact OE2-NH2 3.47Å |
| 513 | I | 98.6 | Very high | 97.9 | Very high | 54 Ų | 54 | 32.8 Ų | 32.8 | 28% | 0.277 | 17% | 0.171 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | -46.1 | 175.5 | -64.1 | 172.8 | 0 | 0 | 0 | 110.4 | R33 P35 V486 I504 N506 | R33-I513 PolarHBondContact N-O 2.84Å; R33-I513 WeakPolarHBondContact O-CG2 2.98Å; P35-I513 HydrophobicContact CG-CG2 4.09Å; V486-I513 HydrophobicContact CG1-CD1 3.54Å; I504-I513 HydrophobicContact CG2-CB 4.29Å; I504-I513 HydrophobicContact CG2-CD1 4.41Å; I504-I513 PolarHBondContact O-N 2.71Å; N506-I513 HydrophobicContact CB-CD1 3.89Å; N506-I513 HydrophobicContact CB-CG1 4.08Å |
| 514 | A | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.2 | 160.8 | -177.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | T31 I34 I504 | T31-A514 CarbonylContact O-C 3.12Å; T31-A514 WeakPolarHBondContact O-CA 3.47Å; T31-A514 WeakPolarHBondContact O-CB 3.11Å; I34-A514 HydrophobicContact CD1-CB 3.78Å; I504-A514 HydrophobicContact CD1-CB 4.32Å; I504-A514 PolarHBondContact N-O 3.27Å; I504-A514 PolarHBondContact O-N 3.46Å |
| 515 | R | 98.2 | Very high | 97.8 | Very high | 32 Ų | 32 | 34.3 Ų | 34.3 | 12% | 0.121 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 146.1 | 164.5 | 64.2 | 179.4 | 73 | -170.5 | 3.3 | 111.4 | V30 T31 E463 Y501 M502 L503 E512 E517 | V30-R515 WeakPolarHBondContact CA-O 3.2Å; T31-R515 PolarHBondContact N-O 3.2Å; T31-R515 PolarHBondContact O-N 2.81Å; E463-R515 IonicContact OE1-CZ 2.83Å; E463-R515 IonicContact OE1-NH1 2.76Å; E463-R515 IonicContact OE1-NH2 3.38Å; E463-R515 PolarHBondContact OE1-NH2 2.8Å; E463-R515 IonicContact OE2-CZ 3.81Å; E463-R515 IonicContact OE2-NH1 3.15Å; E463-R515 PolarHBondContact OE2-NH1 3.05Å; E463-R515 IonicContact OE2-NH2 2.74Å; E463-R515 PolarHBondContact OE2-NH2 3.49Å; Y501-R515 HydrophobicContact CD2-CB 3.89Å; Y501-R515 HydrophobicContact CG-CB 4.4Å; Y501-R515 PolarHBondContact OH-NH1 3.34Å; M502-R515 CarbonylContact O-C 3.55Å; M502-R515 WeakPolarHBondContact O-CA 3.42Å; L503-R515 HydrophobicContact CD1-CB 4.44Å; E512-R515 VanDerWaalsContact CD-NH2 3.3Å; E512-R515 IonicContact OE1-CZ 2.8Å; E512-R515 IonicContact OE1-NE 3.65Å; E512-R515 PolarHBondContact OE1-NE 2.81Å; E512-R515 IonicContact OE1-NH2 2.73Å; E512-R515 PolarHBondContact OE1-NH2 2.91Å; E512-R515 IonicContact OE2-CZ 3.22Å; E512-R515 IonicContact OE2-NE 2.78Å; E512-R515 IonicContact OE2-NH2 3.9Å; E512-R515 PolarHBondContact OE2-NH2 3.47Å; R515-E517 HydrophobicContact CG-CG 4.08Å |
| 516 | A | 98.4 | Very high | 97.8 | Very high | 1 Ų | 1 | 34.5 Ų | 34.5 | 1% | 0.008 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 102.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | T28 V30 V77 Y501 M502 | T28-A516 HydrophobicContact CG2-CB 4.2Å; T28-A516 WeakPolarHBondContact OG1-CB 3.26Å; V30-A516 HydrophobicContact CG2-CB 4.26Å; V77-A516 HydrophobicContact CB-CB 3.72Å; V77-A516 HydrophobicContact CG1-CB 3.94Å; V77-A516 HydrophobicContact CG2-CB 3.92Å; Y501-A516 CarbonylContact C-O 3.6Å; Y501-A516 WeakPolarHBondContact CA-O 3.4Å; M502-A516 HydrophobicContact CB-CB 4.16Å; M502-A516 PolarHBondContact N-O 3.39Å; M502-A516 PolarHBondContact O-N 3.21Å |
| 517 | E | 98.3 | Very high | 97.8 | Very high | 37 Ų | 37 | 32.8 Ų | 32.8 | 17% | 0.173 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 143.8 | -168.3 | -52.2 | 177.3 | 125.7 | 0 | 0 | 112.4 | T28 T29 R498 R515 | T28-E517 CarbonylContact C-O 3.58Å; T28-E517 VanDerWaalsContact CA-O 3.25Å; T28-E517 WeakPolarHBondContact CA-O 3.25Å; T28-E517 WeakPolarHBondContact CB-O 3.42Å; T29-E517 PolarHBondContact N-O 3.05Å; T29-E517 PolarHBondContact O-N 3.48Å; R498-E517 HydrophobicContact CB-CB 4Å; R498-E517 HydrophobicContact CG-CB 4.27Å; R498-E517 IonicContact CZ-OE2 3.59Å; R498-E517 IonicContact NH1-OE2 2.72Å; R498-E517 PolarHBondContact NH1-OE2 3.42Å; R515-E517 HydrophobicContact CG-CG 4.08Å |
| 518 | V | 97 | Very high | 97.8 | Very high | 2 Ų | 2 | 33.2 Ų | 33.2 | 1% | 0.012 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 153.3 | 179.2 | -66 | 0 | 0 | 0 | 0 | 111.5 | T28 F70 Y79 R498 P499 A500 C520 I522 | T28-V518 HydrophobicContact CG2-CG1 3.69Å; F70-V518 HydrophobicContact CE1-CG1 4.17Å; F70-V518 HydrophobicContact CZ-CG1 4.46Å; Y79-V518 HydrophobicContact CD1-CB 4.45Å; Y79-V518 HydrophobicContact CD1-CG1 3.94Å; Y79-V518 HydrophobicContact CG-CG1 3.97Å; R498-V518 WeakPolarHBondContact CB-O 3.46Å; P499-V518 WeakPolarHBondContact CD-O 3.45Å; A500-V518 HydrophobicContact CB-CG2 3.84Å; A500-V518 VanDerWaalsContact O-CG2 3.27Å; A500-V518 WeakPolarHBondContact O-CG2 3.34Å; A500-V518 PolarHBondContact O-N 3.01Å; V518-C520 VanDerWaalsContact C-N 3.3Å; V518-C520 WeakPolarHBondContact CG2-O 3.39Å; V518-C520 PolarHBondContact O-N 2.73Å; V518-I522 HydrophobicContact CG2-CD1 3.99Å; V518-I522 HydrophobicContact CG2-CG1 4.41Å |
| 519 | E | 94.6 | Very high | 97.7 | Very high | 156 Ų | 156 | 31.6 Ų | 31.6 | 73% | 0.729 | 17% | 0.17 | S | C | * | . | S | Bend | trans | -89.5 | 9.1 | -178.1 | -60.5 | -172.1 | 165.8 | 0 | 0 | 113.6 | ||
| 520 | C | 95 | Very high | 97.7 | Very high | 23 Ų | 23 | 29.4 Ų | 29.4 | 16% | 0.155 | 16% | 0.156 | C | C | . | . | S | Bend | trans | -126.6 | 146.2 | 179.5 | 65.4 | 0 | 0 | 0 | 0 | 111.7 | P499 V518 | P499-C520 VanDerWaalsContact CG-C 3.46Å; V518-C520 VanDerWaalsContact C-N 3.3Å; V518-C520 WeakPolarHBondContact CG2-O 3.39Å; V518-C520 PolarHBondContact O-N 2.73Å |
| 521 | S | 95.2 | Very high | 97.6 | Very high | 54 Ų | 54 | 31.4 Ų | 31.4 | 38% | 0.378 | 16% | 0.164 | S | C | . | . | trans | -66.8 | 144.9 | 177.3 | -55 | 0 | 0 | 0 | 0 | 110.7 | R81 | R81-S521 PolarHBondContact NH1-O 3.45Š| ||
| 522 | I | 97.9 | Very high | 97.2 | Very high | 3 Ų | 3 | 36.8 Ų | 36.8 | 2% | 0.015 | 18% | 0.184 | C | C | . | . | trans | -118.2 | 123.3 | 174.1 | -56 | -179.7 | 0 | 0 | 0 | 108.1 | F70 Y79 I490 A500 V518 | F70-I522 HydrophobicContact CE2-CD1 3.98Å; F70-I522 HydrophobicContact CZ-CD1 3.78Å; Y79-I522 HydrophobicContact CD2-CD1 4.34Å; Y79-I522 HydrophobicContact CE1-CD1 3.99Å; Y79-I522 HydrophobicContact CE1-CG1 4.13Å; Y79-I522 HydrophobicContact CE2-CD1 3.79Å; Y79-I522 HydrophobicContact CE2-CG1 4.49Å; I490-I522 HydrophobicContact CG2-CB 4.28Å; I490-I522 HydrophobicContact CG2-CD1 3.86Å; I490-I522 HydrophobicContact CG2-CG2 3.98Å; A500-I522 HydrophobicContact CB-CB 3.99Å; A500-I522 HydrophobicContact CB-CD1 3.76Å; A500-I522 HydrophobicContact CB-CG1 3.62Å; V518-I522 HydrophobicContact CG2-CD1 3.99Å; V518-I522 HydrophobicContact CG2-CG1 4.41Å | ||
| 523 | P | 97.9 | Very high | 97.1 | Very high | 7 Ų | 7 | 35.2 Ų | 35.2 | 5% | 0.045 | 18% | 0.177 | C | C | . | . | trans | -69.3 | 174.7 | 174.9 | 31.1 | -36.3 | 0 | 0 | 0 | 111.4 | I15 C19 P47 F50 L66 | I15-P523 CarbonylContact O-C 3.54Å; I15-P523 WeakPolarHBondContact O-CA 3.37Å; I15-P523 WeakPolarHBondContact O-CB 3.48Å; C19-P523 VanDerWaalsContact SG-CD 3.6Å; P47-P523 WeakPolarHBondContact O-CB 3.29Å; P47-P523 WeakPolarHBondContact O-CG 3.47Å; F50-P523 HydrophobicContact CE2-CB 4.22Å; F50-P523 HydrophobicContact CZ-CB 4.44Å; L66-P523 HydrophobicContact CD2-CG 4.02Å | ||
| 524 | V | 98.2 | Very high | 97.1 | Very high | 23 Ų | 23 | 34.2 Ų | 34.2 | 14% | 0.139 | 17% | 0.172 | C | C | . | . | trans | -56.7 | 140.1 | 176.6 | 64.6 | 0 | 0 | 0 | 0 | 111.1 | I15 F16 P47 L60 F526 | I15-V524 HydrophobicContact CB-CB 4.25Å; I15-V524 HydrophobicContact CG1-CB 4.1Å; I15-V524 PolarHBondContact O-N 2.88Å; F16-V524 HydrophobicContact CD1-CG1 4.11Å; F16-V524 HydrophobicContact CE1-CB 4.47Å; F16-V524 HydrophobicContact CE1-CG1 4.22Å; P47-V524 HydrophobicContact CG-CG1 3.76Å; L60-V524 HydrophobicContact CD1-CG1 3.93Å; V524-F526 HydrophobicContact CG2-CE1 4.42Å | ||
| 525 | T | 98.4 | Very high | 97 | Very high | 8 Ų | 8 | 36.1 Ų | 36.1 | 5% | 0.049 | 18% | 0.182 | C | C | . | . | trans | -125.2 | 144.1 | 172.3 | 59.4 | 0 | 0 | 0 | 0 | 109.5 | R44 L45 H68 S469 I490 | R44-T525 HydrophobicContact CB-CG2 4.27Å; R44-T525 PolarHBondContact NE-OG1 2.93Å; R44-T525 PolarHBondContact NH2-O 2.48Å; R44-T525 PolarHBondContact NH2-OG1 3.25Å; L45-T525 CarbonylContact O-C 3.48Å; L45-T525 WeakPolarHBondContact O-CA 3.29Å; L45-T525 WeakPolarHBondContact O-CB 3.49Å; H68-T525 VanDerWaalsContact CD2-CG2 3.47Å; H68-T525 WeakPolarHBondContact CD2-CG2 3.34Å; S469-T525 WeakPolarHBondContact CB-OG1 3.41Å; I490-T525 HydrophobicContact CD1-CG2 4.48Å | ||
| 526 | F | 98.4 | Very high | 96.9 | Very high | 5 Ų | 5 | 36.4 Ų | 36.4 | 2% | 0.022 | 19% | 0.185 | C | C | . | . | trans | -93.7 | -71.3 | -176.7 | -56.9 | -50.9 | 0 | 0 | 0 | 112 | R44 L45 P47 L60 F61 L134 F419 V524 | R44-F526 PolarHBondContact NH2-O 3.08Å; L45-F526 PolarHBondContact O-N 3.05Å; P47-F526 HydrophobicContact CG-CE2 4.36Å; P47-F526 HydrophobicContact CG-CZ 4.16Å; L60-F526 HydrophobicContact CD1-CE1 4.12Å; L60-F526 HydrophobicContact CD1-CZ 4.01Å; L60-F526 HydrophobicContact CD2-CE1 3.99Å; L60-F526 HydrophobicContact CD2-CZ 4.36Å; L60-F526 HydrophobicContact CG-CE1 3.9Å; L60-F526 HydrophobicContact CG-CZ 3.77Å; F61-F526 HydrophobicContact CD1-CD2 4.49Å; F61-F526 HydrophobicContact CD1-CE1 4.29Å; F61-F526 AromaticContact CD1-CE2 3.71Å; F61-F526 HydrophobicContact CD1-CE2 3.71Å; F61-F526 AromaticContact CD1-CZ 3.61Å; F61-F526 HydrophobicContact CD1-CZ 3.61Å; F61-F526 HydrophobicContact CE1-CD1 4.35Å; F61-F526 HydrophobicContact CE1-CD2 4.49Å; F61-F526 AromaticContact CE1-CE1 3.84Å; F61-F526 HydrophobicContact CE1-CE1 3.84Å; F61-F526 AromaticContact CE1-CE2 3.97Å; F61-F526 HydrophobicContact CE1-CE2 3.97Å; F61-F526 AromaticContact CE1-CZ 3.64Å; F61-F526 HydrophobicContact CE1-CZ 3.64Å; L134-F526 HydrophobicContact CD1-CE2 3.89Å; L134-F526 HydrophobicContact CG-CE2 4.15Å; F419-F526 WeakPolarHBondContact CD1-O 3.41Å; F419-F526 HydrophobicContact CE1-CB 4.15Å; F419-F526 HydrophobicContact CE1-CD1 4.32Å; F419-F526 HydrophobicContact CZ-CD1 4.33Å; V524-F526 HydrophobicContact CG2-CE1 4.42Å | ||
| 527 | H | 98.8 | Very high | 96.8 | Very high | 7 Ų | 7 | 38.6 Ų | 38.6 | 3% | 0.032 | 20% | 0.196 | C | C | . | . | trans | -130.2 | 170.8 | -177.3 | -55.2 | -71 | 0 | 0 | 0 | 112.8 | R44 L45 V135 N136 H181 H314 F419 E470 | R44-H527 WeakPolarHBondContact CA-O 3.43Å; L45-H527 PolarHBondContact N-O 3.26Å; V135-H527 WeakPolarHBondContact O-CB 3.32Å; V135-H527 PolarHBondContact O-N 3.42Å; V135-H527 VanDerWaalsContact O-N 3.16Å; N136-H527 HydrophobicContact CB-CB 3.8Å; N136-H527 VanDerWaalsContact CG-CB 3.44Å; N136-H527 WeakPolarHBondContact OD1-CB 3.14Å; H181-H527 AromaticContact CE1-CD2 3.5Å; H181-H527 AromaticContact CE1-CE1 3.4Å; H181-H527 PolarHBondContact CE1-CE1 3.23Å; H181-H527 VanDerWaalsContact CE1-CE1 3.4Å; H181-H527 AromaticContact CE1-CG 3.74Å; H181-H527 AromaticContact CE1-ND1 3.68Å; H181-H527 AromaticContact CE1-NE2 3.31Å; H181-H527 PolarHBondContact CE1-NE2 3.29Å; H181-H527 VanDerWaalsContact CE1-NE2 3.31Å; H181-H527 AromaticContact NE2-CD2 3.68Å; H181-H527 AromaticContact NE2-CE1 3.96Å; H181-H527 AromaticContact NE2-NE2 3.43Å; H181-H527 PolarHBondContact NE2-NE2 3.46Å; H314-H527 AromaticContact CE1-CE1 3.91Å; H314-H527 AromaticContact NE2-CE1 3.25Å; H314-H527 PolarHBondContact NE2-CE1 3.19Å; H314-H527 VanDerWaalsContact NE2-CE1 3.25Å; H314-H527 AromaticContact NE2-NE2 3.35Å; H314-H527 PolarHBondContact NE2-NE2 3.49Å; F419-H527 AromaticContact CD1-CE1 3.23Å; F419-H527 WeakPolarHBondContact CD1-CE1 3.33Å; F419-H527 AromaticContact CD1-ND1 3.82Å; F419-H527 AromaticContact CD1-NE2 3.85Å; F419-H527 AromaticContact CE1-CE1 3.57Å; F419-H527 AromaticContact CE1-NE2 3.69Å; E470-H527 IonicContact OE1-CE1 2.71Å; E470-H527 IonicContact OE1-ND1 3.02Å; E470-H527 PolarHBondContact OE1-ND1 3.33Å; E470-H527 WeakPolarHBondContact OE2-CA 3.49Å; E470-H527 IonicContact OE2-ND1 3.81Å | ||
| 528 | G | 97.6 | Very high | 96.7 | Very high | 10 Ų | 10 | 38.7 Ų | 38.7 | 10% | 0.103 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -178.3 | -165.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | L43 N136 | L43-G528 CarbonylContact O-C 3.57Å; L43-G528 WeakPolarHBondContact O-CA 3.47Å; N136-G528 PolarHBondContact OD1-N 3.08Å |
| 529 | M | 97.8 | Very high | 96.7 | Very high | 36 Ų | 36 | 41.3 Ų | 41.3 | 18% | 0.177 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 158.2 | 179.6 | 66.7 | 173.9 | -63.7 | 0 | 0 | 111.3 | L43 V137 P139 F144 K531 | L43-M529 HydrophobicContact CB-CG 4.43Å; L43-M529 HydrophobicContact CD1-CG 4.3Å; L43-M529 PolarHBondContact N-O 3Å; L43-M529 PolarHBondContact O-N 2.71Å; V137-M529 HydrophobicContact CG1-CG 4.35Å; P139-M529 HydrophobicContact CG-CE 4.29Å; F144-M529 HydrophobicContact CD1-CE 4.45Å; F144-M529 HydrophobicContact CD1-SD 3.76Å; F144-M529 HydrophobicContact CE1-CE 3.78Å; F144-M529 HydrophobicContact CE1-SD 3.69Å; M529-K531 HydrophobicContact CE-CB 4.43Å |
| 530 | Y | 97.9 | Very high | 96.8 | Very high | 34 Ų | 34 | 32.5 Ų | 32.5 | 13% | 0.133 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 118 | 164.4 | -173.2 | -108 | 0 | 0 | 0 | 109.4 | L38 K39 L42 F72 V474 L488 Q532 | L38-Y530 WeakPolarHBondContact CA-OH 3.17Å; L38-Y530 HydrophobicContact CD2-CE1 4.48Å; K39-Y530 PolarHBondContact N-OH 3.15Å; K39-Y530 PolarHBondContact O-OH 2.81Å; L42-Y530 HydrophobicContact CB-CD2 4.37Å; F72-Y530 AromaticContact CD2-CE2 3.94Å; F72-Y530 HydrophobicContact CD2-CE2 3.94Å; F72-Y530 HydrophobicContact CE2-CE2 4.13Å; V474-Y530 HydrophobicContact CB-CD1 4.38Å; V474-Y530 HydrophobicContact CG1-CD1 3.81Å; V474-Y530 HydrophobicContact CG1-CE1 3.72Å; V474-Y530 HydrophobicContact CG2-CD1 3.59Å; V474-Y530 HydrophobicContact CG2-CD2 4.17Å; V474-Y530 HydrophobicContact CG2-CE1 4.11Å; V474-Y530 HydrophobicContact CG2-CG 3.61Å; L488-Y530 HydrophobicContact CD1-CD2 3.51Å; L488-Y530 HydrophobicContact CD1-CE2 3.76Å; L488-Y530 HydrophobicContact CD1-CG 4.24Å; Y530-Q532 HydrophobicContact CD1-CG 4.04Å; Y530-Q532 HydrophobicContact CE1-CG 3.6Å |
| 531 | K | 96.1 | Very high | 97 | Very high | 48 Ų | 48 | 33.3 Ų | 33.3 | 21% | 0.209 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 107.8 | 174.1 | 177.2 | -170.2 | 173.1 | -169.5 | 0 | 107.8 | G40 S41 L43 F144 T158 D159 M529 | G40-K531 CarbonylContact C-O 3.56Å; G40-K531 WeakPolarHBondContact CA-O 3.49Å; S41-K531 PolarHBondContact N-O 3.21Å; S41-K531 PolarHBondContact O-N 3.45Å; L43-K531 HydrophobicContact CD1-CB 4.43Å; F144-K531 HydrophobicContact CE1-CD 4.42Å; F144-K531 HydrophobicContact CE2-CD 4.45Å; F144-K531 HydrophobicContact CZ-CD 3.91Å; F144-K531 HydrophobicContact CZ-CG 4.2Å; T158-K531 PolarHBondContact OG1-NZ 3.03Å; D159-K531 IonicContact OD1-NZ 3.23Å; D159-K531 PolarHBondContact OD1-NZ 3.44Å; D159-K531 IonicContact OD2-NZ 3.34Å; M529-K531 HydrophobicContact CE-CB 4.43Å |
| 532 | Q | 89.8 | Confident | 97.2 | Very high | 164 Ų | 164 | 31.4 Ų | 31.4 | 77% | 0.766 | 15% | 0.154 | S | C | * | . | trans | -65.1 | 0 | 172.3 | -90.6 | -178.3 | 4.1 | 0 | 0 | 112.2 | Y530 | Y530-Q532 HydrophobicContact CD1-CG 4.04Å; Y530-Q532 HydrophobicContact CE1-CG 3.6Å |
Retrieved 532 of 532 residues in 1056.6 ms
(Link to these results)