A0A5K4EHM3_SCHMA Loading...

Protein-tyrosine-phosphatase

AlphaFold DB , UniProt , Accession A0A5K4EHM3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 506 aa.

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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
1M64.2Low91Very high137 Ų13768.5 Ų68.568%0.67535%0.347SS*.  01190-132.2-177.2-76.400109D3 E46 S328M1-D3 PolarHBondContact O-N 2.92Å; M1-E46 WeakPolarHBondContact CA-OE1 3.15Å; M1-S328 WeakPolarHBondContact CE-O 3.37Å
2L79.4Confident91.6Very high66 Ų6663 Ų6335%0.34632%0.319SS..  trans-63.2126.7175.1-174.793.9000109.9V4 I39 T42 Q333L2-V4 HydrophobicContact CD2-CG2 4.12Å; L2-V4 PolarHBondContact O-N 2.73Å; L2-I39 HydrophobicContact CD2-CB 4.26Å; L2-I39 HydrophobicContact CD2-CG1 4.1Å; L2-I39 HydrophobicContact CD2-CG2 3.73Å; L2-T42 HydrophobicContact CB-CG2 3.92Å; L2-T42 HydrophobicContact CD1-CG2 4.42Å; L2-T42 HydrophobicContact CD2-CG2 4.44Å; L2-T42 HydrophobicContact CG-CG2 4.5Å; L2-Q333 PolarHBondContact O-NE2 3.19Å
3D86.6Confident92.1Very high146 Ų14658.2 Ų58.278%0.78130%0.295SS*.  trans-85.1103.3-179.4-146.37.4000109.4M1M1-D3 PolarHBondContact O-N 2.92Å
4V95.9Very high92.4Very high5 Ų555.6 Ų55.63%0.0328%0.284CS..  trans-83.9122.2176171.70000108L2 D8 V9 I39 L43 I332 Q333 Y336L2-V4 HydrophobicContact CD2-CG2 4.12Å; L2-V4 PolarHBondContact O-N 2.73Å; V4-D8 HydrophobicContact CG1-CB 4.26Å; V4-V9 HydrophobicContact CG1-CG2 4.13Å; V4-I39 HydrophobicContact CG2-CG2 4.11Å; V4-L43 HydrophobicContact CG2-CD1 4.13Å; V4-L43 HydrophobicContact CG2-CD2 4.19Å; V4-I332 HydrophobicContact CG1-CG1 4.35Å; V4-Q333 HydrophobicContact CB-CG 3.94Å; V4-Q333 HydrophobicContact CG2-CG 3.82Å; V4-Y336 HydrophobicContact CG1-CD2 3.85Å; V4-Y336 HydrophobicContact CG1-CG 4.05Å
5T95.6Very high92.7Very high54 Ų5454 Ų5433%0.33128%0.275SS..  trans-93.5169.3-178.283.80000112.3E7 D8 V9T5-E7 VanDerWaalsContact CB-OE2 3.25Å; T5-E7 WeakPolarHBondContact CB-OE2 3.24Å; T5-E7 PolarHBondContact O-N 3.13Å; T5-E7 PolarHBondContact OG1-N 2.95Å; T5-E7 PolarHBondContact OG1-OE2 3.06Å; T5-D8 PolarHBondContact N-OD2 2.62Å; T5-D8 PolarHBondContact O-N 2.83Å; T5-D8 PolarHBondContact OG1-N 3.23Å; T5-V9 PolarHBondContact O-N 3.25Å
6K95.8Very high93Very high67 Ų6750.8 Ų50.829%0.29126%0.258SS..Hα-helixtrans-56.5-42.5170.6170.9167.9-179.7162.50111.2D8 V9 V10 E427 F428 E431K6-D8 VanDerWaalsContact C-N 3.3Å; K6-D8 PolarHBondContact O-N 2.8Å; K6-V9 PolarHBondContact O-N 2.82Å; K6-V10 HydrophobicContact CG-CG2 4.25Å; K6-V10 WeakPolarHBondContact O-CG2 3.37Å; K6-V10 PolarHBondContact O-N 3.26Å; K6-E427 IonicContact NZ-OE1 2.77Å; K6-E427 PolarHBondContact NZ-OE1 3.02Å; K6-F428 HydrophobicContact CB-CE1 4.27Å; K6-F428 HydrophobicContact CB-CZ 4.31Å; K6-F428 HydrophobicContact CD-CD1 4.26Å; K6-F428 HydrophobicContact CD-CE1 3.6Å; K6-F428 HydrophobicContact CD-CZ 4.42Å; K6-F428 HydrophobicContact CG-CD1 4.1Å; K6-F428 HydrophobicContact CG-CE1 3.5Å; K6-F428 HydrophobicContact CG-CZ 4.01Å; K6-E431 WeakPolarHBondContact CE-OE2 3.37Å; K6-E431 IonicContact NZ-OE2 2.95Å; K6-E431 PolarHBondContact NZ-OE2 3.13Å
7E95.4Very high93.2Very high127 Ų12748.5 Ų48.559%0.59325%0.247SC*.Hα-helixtrans-60.8-39.4-179.6-64.170.9-155.300111.7T5 V9 V10 E11T5-E7 VanDerWaalsContact CB-OE2 3.25Å; T5-E7 WeakPolarHBondContact CB-OE2 3.24Å; T5-E7 PolarHBondContact O-N 3.13Å; T5-E7 PolarHBondContact OG1-N 2.95Å; T5-E7 PolarHBondContact OG1-OE2 3.06Å; E7-V9 VanDerWaalsContact C-N 3.35Å; E7-V9 PolarHBondContact O-N 3.31Å; E7-V10 PolarHBondContact O-N 3.25Å; E7-E11 VanDerWaalsContact O-CB 3.27Å; E7-E11 WeakPolarHBondContact O-CB 3.29Å; E7-E11 PolarHBondContact O-N 2.98Å
8D97.1Very high93.4Very high26 Ų2650.4 Ų50.414%0.13926%0.257CS..Hα-helixtrans-61.9-42.7177.1-71.1-46.9000111.6V4 T5 K6 L12 K35 Y336V4-D8 HydrophobicContact CG1-CB 4.26Å; T5-D8 PolarHBondContact N-OD2 2.62Å; T5-D8 PolarHBondContact O-N 2.83Å; T5-D8 PolarHBondContact OG1-N 3.23Å; K6-D8 VanDerWaalsContact C-N 3.3Å; K6-D8 PolarHBondContact O-N 2.8Å; D8-L12 WeakPolarHBondContact O-CB 3.19Å; D8-L12 PolarHBondContact O-N 3.36Å; D8-K35 IonicContact OD1-NZ 3.85Å; D8-K35 PolarHBondContact OD1-NZ 3.14Å; D8-K35 VanDerWaalsContact OD1-NZ 3.13Å; D8-Y336 HydrophobicContact CB-CD2 4.12Å; D8-Y336 HydrophobicContact CB-CE2 3.78Å; D8-Y336 WeakPolarHBondContact O-CE2 3.49Å
9V98Very high93.5Very high0 Ų048.7 Ų48.70%025%0.252CS..Hα-helixtrans-68.7-41.4178.7-175.30000111.5V4 T5 K6 E7 L12 L13 I332 L335 Y336 L339 F428V4-V9 HydrophobicContact CG1-CG2 4.13Å; T5-V9 PolarHBondContact O-N 3.25Å; K6-V9 PolarHBondContact O-N 2.82Å; E7-V9 VanDerWaalsContact C-N 3.35Å; E7-V9 PolarHBondContact O-N 3.31Å; V9-L12 PolarHBondContact O-N 3.35Å; V9-L13 WeakPolarHBondContact O-CB 3.2Å; V9-L13 PolarHBondContact O-N 3.26Å; V9-I332 HydrophobicContact CG2-CD1 4.21Å; V9-I332 HydrophobicContact CG2-CG1 3.77Å; V9-L335 HydrophobicContact CG1-CD2 3.94Å; V9-L335 HydrophobicContact CG1-CG 4.18Å; V9-Y336 HydrophobicContact CG2-CD2 4.04Å; V9-L339 HydrophobicContact CG1-CD1 4.02Å; V9-F428 HydrophobicContact CB-CD2 3.88Å; V9-F428 HydrophobicContact CB-CE2 4Å; V9-F428 HydrophobicContact CG1-CD2 3.4Å; V9-F428 VanDerWaalsContact CG1-CD2 3.4Å; V9-F428 HydrophobicContact CG1-CE2 3.91Å; V9-F428 HydrophobicContact CG1-CG 4.27Å; V9-F428 HydrophobicContact CG2-CE2 4.24Å
10V96.8Very high93.6Very high29 Ų2947.4 Ų47.418%0.17625%0.245CC..Hα-helixtrans-65.1-42.51771720000111.1K6 E7 L13 S14 F428K6-V10 HydrophobicContact CG-CG2 4.25Å; K6-V10 WeakPolarHBondContact O-CG2 3.37Å; K6-V10 PolarHBondContact O-N 3.26Å; E7-V10 PolarHBondContact O-N 3.25Å; V10-L13 PolarHBondContact O-N 3.01Å; V10-S14 WeakPolarHBondContact O-CB 3.09Å; V10-S14 PolarHBondContact O-N 3.22Å; V10-F428 HydrophobicContact CG2-CB 4.31Å; V10-F428 HydrophobicContact CG2-CD1 4.21Å; V10-F428 HydrophobicContact CG2-CG 4.34Å
11E96.4Very high93.8Very high97 Ų9745.1 Ų45.145%0.45323%0.234SC..Hα-helixtrans-60.8-48.1176.1-174.7-178.8-162.600110.9E7 L13 S14 F15 K35E7-E11 VanDerWaalsContact O-CB 3.27Å; E7-E11 WeakPolarHBondContact O-CB 3.29Å; E7-E11 PolarHBondContact O-N 2.98Å; E11-L13 PolarHBondContact O-N 3.02Å; E11-S14 PolarHBondContact O-N 3.11Å; E11-F15 WeakPolarHBondContact O-CB 3.35Å; E11-F15 PolarHBondContact O-N 2.91Å; E11-K35 IonicContact OE2-NZ 2.76Å; E11-K35 PolarHBondContact OE2-NZ 3.34Å
12L98.2Very high95.2Very high2 Ų240.2 Ų40.21%0.0121%0.21CC..Hα-helixtrans-57.8-49.4175.4171.860.2000111.3D8 V9 S14 F15 M16 I36 Y336 L339 F344D8-L12 WeakPolarHBondContact O-CB 3.19Å; D8-L12 PolarHBondContact O-N 3.36Å; V9-L12 PolarHBondContact O-N 3.35Å; L12-S14 PolarHBondContact O-N 3.11Å; L12-F15 PolarHBondContact O-N 2.97Å; L12-M16 HydrophobicContact CD1-CG 4.06Å; L12-M16 HydrophobicContact CD1-SD 4.07Å; L12-M16 HydrophobicContact CG-CG 4.46Å; L12-M16 HydrophobicContact CG-SD 4.02Å; L12-M16 VanDerWaalsContact O-CG 3.26Å; L12-M16 WeakPolarHBondContact O-CG 3.45Å; L12-M16 PolarHBondContact O-N 3.32Å; L12-I36 HydrophobicContact CD1-CD1 3.9Å; L12-I36 HydrophobicContact CD1-CG1 4.21Å; L12-I36 HydrophobicContact CD1-CG2 3.85Å; L12-Y336 HydrophobicContact CB-CE2 4.05Å; L12-Y336 HydrophobicContact CD2-CD1 4.34Å; L12-Y336 HydrophobicContact CD2-CD2 4.05Å; L12-Y336 HydrophobicContact CD2-CE1 4.22Å; L12-Y336 HydrophobicContact CD2-CE2 3.93Å; L12-Y336 HydrophobicContact CD2-CG 4.25Å; L12-L339 HydrophobicContact CD2-CB 3.75Å; L12-F344 HydrophobicContact CD1-CB 4.45Å; L12-F344 HydrophobicContact CD1-CD1 4.08Å; L12-F344 HydrophobicContact CD1-CG 4.37Å
13L97.8Very high95.9Very high1 Ų139.3 Ų39.31%0.00520%0.204CC..Hα-helixtrans-65.8-41.1-177.3-170.766.7000112.1V9 V10 E11 F15 M16 L17 W429 E432V9-L13 WeakPolarHBondContact O-CB 3.2Å; V9-L13 PolarHBondContact O-N 3.26Å; V10-L13 PolarHBondContact O-N 3.01Å; E11-L13 PolarHBondContact O-N 3.02Å; L13-F15 VanDerWaalsContact C-N 3.3Å; L13-F15 PolarHBondContact O-N 3.01Å; L13-M16 PolarHBondContact O-N 3.4Å; L13-L17 HydrophobicContact CG-CD1 4.16Å; L13-L17 WeakPolarHBondContact O-CG 3.37Å; L13-L17 PolarHBondContact O-N 3.33Å; L13-W429 HydrophobicContact CD1-CE3 3.86Å; L13-W429 HydrophobicContact CD1-CZ3 4.01Å; L13-W429 HydrophobicContact CD2-CB 4.26Å; L13-W429 HydrophobicContact CD2-CE3 4.02Å; L13-W429 HydrophobicContact CG-CE3 4.44Å; L13-E432 HydrophobicContact CD2-CB 4.16Å; L13-E432 HydrophobicContact CD2-CG 4.46Å
14S96.9Very high96.2Very high21 Ų2136.2 Ų36.215%0.14719%0.185CC..Hα-helixtrans-57.8-47.2172.9-1750000110.3V10 E11 L12 M16 L17 D18 E432 R435 R436V10-S14 WeakPolarHBondContact O-CB 3.09Å; V10-S14 PolarHBondContact O-N 3.22Å; E11-S14 PolarHBondContact O-N 3.11Å; L12-S14 PolarHBondContact O-N 3.11Å; S14-M16 VanDerWaalsContact C-N 3.35Å; S14-M16 PolarHBondContact O-N 3.38Å; S14-L17 PolarHBondContact O-N 3.47Å; S14-L17 VanDerWaalsContact O-N 3.14Å; S14-D18 WeakPolarHBondContact O-CB 3.3Å; S14-D18 VanDerWaalsContact O-CG 3.26Å; S14-D18 PolarHBondContact O-N 3.12Å; S14-D18 PolarHBondContact OG-OD2 3.17Å; S14-E432 WeakPolarHBondContact CB-OE1 3.48Å; S14-E432 PolarHBondContact OG-OE1 3.5Å; S14-R435 PolarHBondContact OG-NH2 3.3Å; S14-R436 PolarHBondContact O-NH2 3.2Å; S14-R436 PolarHBondContact OG-NH2 3.08Å; S14-R436 VanDerWaalsContact OG-NH2 3.09Å
15F96.5Very high96.1Very high32 Ų3236.7 Ų36.714%0.1419%0.187CC..Hα-helixtrans-62.8-40.7-179.5-163-123.1000112.4E11 L12 L13 L17 D18 A19 L25 Y29 E32 I33 I36 F344E11-F15 WeakPolarHBondContact O-CB 3.35Å; E11-F15 PolarHBondContact O-N 2.91Å; L12-F15 PolarHBondContact O-N 2.97Å; L13-F15 VanDerWaalsContact C-N 3.3Å; L13-F15 PolarHBondContact O-N 3.01Å; F15-L17 VanDerWaalsContact C-N 3.31Å; F15-L17 PolarHBondContact O-N 3.39Å; F15-D18 PolarHBondContact O-N 3.48Å; F15-A19 PolarHBondContact O-N 2.98Å; F15-L25 HydrophobicContact CE1-CD2 4.09Å; F15-L25 HydrophobicContact CZ-CD1 4.46Å; F15-L25 HydrophobicContact CZ-CD2 4.08Å; F15-L25 HydrophobicContact CZ-CG 4.25Å; F15-Y29 HydrophobicContact CE2-CD1 4.39Å; F15-Y29 HydrophobicContact CE2-CD2 4.28Å; F15-Y29 HydrophobicContact CE2-CG 4.08Å; F15-Y29 HydrophobicContact CZ-CD2 4.14Å; F15-Y29 AromaticContact CZ-CG 3.96Å; F15-Y29 HydrophobicContact CZ-CG 3.96Å; F15-E32 HydrophobicContact CZ-CB 4.41Å; F15-I33 HydrophobicContact CE1-CD1 4.39Å; F15-I33 HydrophobicContact CE1-CG1 3.91Å; F15-I33 HydrophobicContact CZ-CG1 4.44Å; F15-I36 HydrophobicContact CD1-CD1 3.84Å; F15-I36 HydrophobicContact CE1-CD1 4.33Å; F15-F344 AromaticContact CD1-CE1 3.86Å; F15-F344 HydrophobicContact CD1-CE1 3.86Å; F15-F344 HydrophobicContact CD1-CE2 4.21Å; F15-F344 AromaticContact CD1-CZ 3.4Å; F15-F344 HydrophobicContact CD1-CZ 3.4Å; F15-F344 VanDerWaalsContact CD1-CZ 3.4Å; F15-F344 HydrophobicContact CE1-CE1 4.03Å; F15-F344 AromaticContact CE1-CZ 3.5Å; F15-F344 HydrophobicContact CE1-CZ 3.5Å
16M97.7Very high96.1Very high2 Ų234.3 Ų34.31%0.0117%0.172CC..Hα-helixtrans-61.9-35.7174.1-68.3174.771.100113L12 L13 S14 L339 W343 F344 L350 L361L12-M16 HydrophobicContact CD1-CG 4.06Å; L12-M16 HydrophobicContact CD1-SD 4.07Å; L12-M16 HydrophobicContact CG-CG 4.46Å; L12-M16 HydrophobicContact CG-SD 4.02Å; L12-M16 VanDerWaalsContact O-CG 3.26Å; L12-M16 WeakPolarHBondContact O-CG 3.45Å; L12-M16 PolarHBondContact O-N 3.32Å; L13-M16 PolarHBondContact O-N 3.4Å; S14-M16 VanDerWaalsContact C-N 3.35Å; S14-M16 PolarHBondContact O-N 3.38Å; M16-L339 HydrophobicContact CE-CD2 4.43Å; M16-L339 HydrophobicContact SD-CB 4.17Å; M16-L339 HydrophobicContact SD-CD2 4.48Å; M16-W343 HydrophobicContact CE-CB 4.04Å; M16-F344 HydrophobicContact CB-CD2 4.27Å; M16-F344 HydrophobicContact CE-CB 3.97Å; M16-F344 HydrophobicContact CG-CB 3.77Å; M16-F344 HydrophobicContact CG-CD2 3.5Å; M16-F344 VanDerWaalsContact CG-CD2 3.5Å; M16-F344 HydrophobicContact CG-CE2 4.22Å; M16-F344 HydrophobicContact CG-CG 3.72Å; M16-F344 HydrophobicContact SD-CB 3.94Å; M16-L350 HydrophobicContact CB-CD2 3.7Å; M16-L350 HydrophobicContact CE-CD2 4.23Å; M16-L361 HydrophobicContact CE-CD2 4.05Å
17L96.8Very high96.1Very high13 Ų1336 Ų367%0.06818%0.18CC..Hα-helixtrans-78.1-26.8178.6-72.6165.4000112.4L13 S14 F15 L350 M354 W429 E432 I433L13-L17 HydrophobicContact CG-CD1 4.16Å; L13-L17 WeakPolarHBondContact O-CG 3.37Å; L13-L17 PolarHBondContact O-N 3.33Å; S14-L17 PolarHBondContact O-N 3.47Å; S14-L17 VanDerWaalsContact O-N 3.14Å; F15-L17 VanDerWaalsContact C-N 3.31Å; F15-L17 PolarHBondContact O-N 3.39Å; L17-L350 HydrophobicContact CD2-CD2 3.76Å; L17-L350 HydrophobicContact CD2-CG 4.08Å; L17-L350 HydrophobicContact CG-CD2 3.97Å; L17-M354 HydrophobicContact CD2-CG 3.92Å; L17-W429 HydrophobicContact CD2-CH2 4.15Å; L17-W429 HydrophobicContact CD2-CZ3 4.35Å; L17-E432 HydrophobicContact CD1-CB 4.46Å; L17-E432 HydrophobicContact CD1-CG 3.48Å; L17-E432 VanDerWaalsContact CD1-CG 3.48Å; L17-I433 HydrophobicContact CD1-CD1 4.45Å
18D95.7Very high96.1Very high82 Ų8233.4 Ų33.444%0.43918%0.175SC..Hα-helixtrans-85-26.3179.7-69.9-35.2000113.5S14 F15 K351 R436S14-D18 WeakPolarHBondContact O-CB 3.3Å; S14-D18 VanDerWaalsContact O-CG 3.26Å; S14-D18 PolarHBondContact O-N 3.12Å; S14-D18 PolarHBondContact OG-OD2 3.17Å; F15-D18 PolarHBondContact O-N 3.48Å; D18-K351 WeakPolarHBondContact O-CD 3.4Å; D18-R436 IonicContact OD1-CZ 3.04Å; D18-R436 VanDerWaalsContact OD1-CZ 3.27Å; D18-R436 IonicContact OD1-NH1 3.87Å; D18-R436 PolarHBondContact OD1-NH1 3.48Å; D18-R436 IonicContact OD1-NH2 3.96Å; D18-R436 PolarHBondContact OD1-NH2 2.78Å; D18-R436 IonicContact OD2-NH2 3.51Å; D18-R436 PolarHBondContact OD2-NH2 3.16Å
19A95.6Very high96.1Very high18 Ų1837.4 Ų37.415%0.14919%0.189CC..  trans-154.2144.4-178.600000114.6F15 L25F15-A19 PolarHBondContact O-N 2.98Å; A19-L25 HydrophobicContact CB-CD1 3.46Å; A19-L25 VanDerWaalsContact CB-CD1 3.46Å; A19-L25 HydrophobicContact CB-CD2 3.69Å; A19-L25 HydrophobicContact CB-CG 4.24Å
20D96.5Very high96Very high22 Ų2240 Ų4012%0.11821%0.206CC..  trans-85.4121.2171.4-70.9-24.3000110.7N22 K349 L350 K351 T352D20-N22 PolarHBondContact O-N 3.26Å; D20-N22 PolarHBondContact O-ND2 3.39Å; D20-K349 HydrophobicContact CB-CD 3.65Å; D20-K349 VanDerWaalsContact CG-CA 3.48Å; D20-K349 WeakPolarHBondContact OD1-CA 3.2Å; D20-L350 PolarHBondContact OD1-N 3.26Å; D20-K351 WeakPolarHBondContact OD1-CB 3.32Å; D20-K351 PolarHBondContact OD1-N 2.8Å; D20-T352 WeakPolarHBondContact OD2-CB 3.42Å; D20-T352 PolarHBondContact OD2-N 3.49Å; D20-T352 PolarHBondContact OD2-OG1 3.02Å
21F96.9Very high96Very high1 Ų147.1 Ų47.10%0.00423%0.234CC..  trans-57.3133.6179.1178.5-101.3000112.5L26 I33 Y64 F344 L345 K349F21-L26 HydrophobicContact CE2-CB 4.44Å; F21-I33 HydrophobicContact CD2-CD1 4.01Å; F21-I33 HydrophobicContact CD2-CG1 4.49Å; F21-I33 HydrophobicContact CE2-CD1 3.95Å; F21-I33 HydrophobicContact CE2-CG1 4.44Å; F21-I33 HydrophobicContact CE2-CG2 3.9Å; F21-Y64 VanDerWaalsContact CE1-O 3.3Å; F21-Y64 WeakPolarHBondContact CE1-O 3.47Å; F21-Y64 WeakPolarHBondContact CZ-O 3.32Å; F21-F344 HydrophobicContact CB-CD2 3.95Å; F21-F344 HydrophobicContact CB-CE1 4.49Å; F21-F344 HydrophobicContact CB-CE2 3.68Å; F21-F344 HydrophobicContact CB-CZ 3.95Å; F21-F344 WeakPolarHBondContact CB-O 3.43Å; F21-F344 HydrophobicContact CD2-CE1 4.37Å; F21-F344 HydrophobicContact CD2-CZ 4.25Å; F21-L345 VanDerWaalsContact CD1-O 3.27Å; F21-L345 WeakPolarHBondContact CD1-O 3.4Å; F21-L345 WeakPolarHBondContact CE1-O 3.45Å; F21-L345 HydrophobicContact CE2-CD2 4.47Å; F21-K349 PolarHBondContact O-NZ 2.67Å; F21-K349 VanDerWaalsContact O-NZ 3.11Å
22N94.5Very high96Very high34 Ų3446 Ų4618%0.18223%0.229CC..SBendtrans-167176.6169.460.568000109.6D20 Q24 L25 L26 G62D20-N22 PolarHBondContact O-N 3.26Å; D20-N22 PolarHBondContact O-ND2 3.39Å; N22-Q24 PolarHBondContact O-N 3.19Å; N22-Q24 WeakPolarHBondContact OD1-CA 3.45Å; N22-Q24 WeakPolarHBondContact OD1-CB 3.43Å; N22-Q24 PolarHBondContact OD1-N 3.19Å; N22-L25 WeakPolarHBondContact O-CB 3.38Å; N22-L25 PolarHBondContact O-N 2.67Å; N22-L25 PolarHBondContact OD1-N 3.34Å; N22-L25 VanDerWaalsContact OD1-N 3.13Å; N22-L26 PolarHBondContact O-N 2.94Å; N22-G62 CarbonylContact C-O 3.53Å; N22-G62 VanDerWaalsContact C-O 3.24Å; N22-G62 WeakPolarHBondContact CA-O 3.32Å
23E93.2Very high96Very high47 Ų4746 Ų4622%0.2223%0.229CC..Hα-helixtrans-58.9-30.2-179.756.9163-108.500114.3L26 K27 G62E23-L26 WeakPolarHBondContact O-CB 3.4Å; E23-L26 PolarHBondContact O-N 2.74Å; E23-K27 VanDerWaalsContact O-CG 3.31Å; E23-K27 WeakPolarHBondContact O-CG 3.22Å; E23-K27 PolarHBondContact O-N 2.96Å; E23-K27 IonicContact OE1-NZ 3.5Å; E23-K27 PolarHBondContact OE1-NZ 2.92Å; E23-G62 PolarHBondContact N-O 3.44Å
24Q93Very high95.9Very high80 Ų8048.7 Ų48.737%0.37424%0.24SC..Hα-helixtrans-71.4-39.7176.9-174.359.930.900110.2N22 L26 K27 C28N22-Q24 PolarHBondContact O-N 3.19Å; N22-Q24 WeakPolarHBondContact OD1-CA 3.45Å; N22-Q24 WeakPolarHBondContact OD1-CB 3.43Å; N22-Q24 PolarHBondContact OD1-N 3.19Å; Q24-L26 VanDerWaalsContact C-N 3.32Å; Q24-L26 PolarHBondContact O-N 3.31Å; Q24-K27 PolarHBondContact O-N 2.91Å; Q24-C28 PolarHBondContact O-N 2.91Å; Q24-C28 PolarHBondContact O-SG 3.29Å; Q24-C28 VanDerWaalsContact O-SG 3.32Å
25L94.8Very high95.9Very high15 Ų1551.5 Ų51.58%0.07925%0.249CC..Hα-helixtrans-63.2-40.8173.5-164.670000111.2F15 A19 N22 K27 C28 Y29 I33 F344F15-L25 HydrophobicContact CE1-CD2 4.09Å; F15-L25 HydrophobicContact CZ-CD1 4.46Å; F15-L25 HydrophobicContact CZ-CD2 4.08Å; F15-L25 HydrophobicContact CZ-CG 4.25Å; A19-L25 HydrophobicContact CB-CD1 3.46Å; A19-L25 VanDerWaalsContact CB-CD1 3.46Å; A19-L25 HydrophobicContact CB-CD2 3.69Å; A19-L25 HydrophobicContact CB-CG 4.24Å; N22-L25 WeakPolarHBondContact O-CB 3.38Å; N22-L25 PolarHBondContact O-N 2.67Å; N22-L25 PolarHBondContact OD1-N 3.34Å; N22-L25 VanDerWaalsContact OD1-N 3.13Å; L25-K27 VanDerWaalsContact C-N 3.31Å; L25-K27 PolarHBondContact O-N 3.48Å; L25-C28 PolarHBondContact O-N 3.45Å; L25-C28 VanDerWaalsContact O-N 3.15Å; L25-Y29 HydrophobicContact CD1-CD2 3.57Å; L25-Y29 HydrophobicContact CD1-CE2 3.82Å; L25-Y29 HydrophobicContact CG-CD2 4.19Å; L25-Y29 PolarHBondContact O-N 3.4Å; L25-I33 HydrophobicContact CB-CD1 4.34Å; L25-I33 HydrophobicContact CD2-CD1 4.32Å; L25-I33 HydrophobicContact CG-CD1 4.06Å; L25-F344 HydrophobicContact CD2-CE2 4.35Å; L25-F344 HydrophobicContact CD2-CZ 4.05Å
26L95.6Very high96Very high4 Ų450.4 Ų50.42%0.02125%0.245CC..Hα-helixtrans-57.8-40.6173175.858.8000112.6F21 N22 E23 Q24 P30 I33 Y34 P66F21-L26 HydrophobicContact CE2-CB 4.44Å; N22-L26 PolarHBondContact O-N 2.94Å; E23-L26 WeakPolarHBondContact O-CB 3.4Å; E23-L26 PolarHBondContact O-N 2.74Å; Q24-L26 VanDerWaalsContact C-N 3.32Å; Q24-L26 PolarHBondContact O-N 3.31Å; L26-P30 WeakPolarHBondContact O-CA 3.35Å; L26-I33 VanDerWaalsContact CA-CD1 3.4Å; L26-I33 HydrophobicContact CB-CD1 4.11Å; L26-I33 HydrophobicContact CD1-CB 4.1Å; L26-I33 HydrophobicContact CD1-CD1 4.42Å; L26-I33 HydrophobicContact CD1-CG2 3.76Å; L26-Y34 HydrophobicContact CD1-CE2 4.1Å; L26-P66 HydrophobicContact CD1-CB 4.48Å; L26-P66 HydrophobicContact CD1-CG 4.31Å; L26-P66 HydrophobicContact CD2-CB 4.12Å
27K94.8Very high96Very high104 Ų10450.3 Ų50.345%0.45224%0.244SC..Hα-helixtrans-67.4-36.4175.6-69.9164.1-170.7163.40112.4E23 Q24 L25E23-K27 VanDerWaalsContact O-CG 3.31Å; E23-K27 WeakPolarHBondContact O-CG 3.22Å; E23-K27 PolarHBondContact O-N 2.96Å; E23-K27 IonicContact OE1-NZ 3.5Å; E23-K27 PolarHBondContact OE1-NZ 2.92Å; Q24-K27 PolarHBondContact O-N 2.91Å; L25-K27 VanDerWaalsContact C-N 3.31Å; L25-K27 PolarHBondContact O-N 3.48Å
28C95.9Very high96Very high72 Ų7253.5 Ų53.549%0.48626%0.261SS..Hα-helixtrans-78.2-37.9-179-66.80000113.5Q24 L25 P30Q24-C28 PolarHBondContact O-N 2.91Å; Q24-C28 PolarHBondContact O-SG 3.29Å; Q24-C28 VanDerWaalsContact O-SG 3.32Å; L25-C28 PolarHBondContact O-N 3.45Å; L25-C28 VanDerWaalsContact O-N 3.15Å; C28-P30 VanDerWaalsContact C-CD 3.44Å
29Y96.5Very high96Very high109 Ų10950.4 Ų50.443%0.42724%0.244SC..  trans-130.659.9-173.5-57.7-83.2000111.6F15 L25 K31 E32 I33F15-Y29 HydrophobicContact CE2-CD1 4.39Å; F15-Y29 HydrophobicContact CE2-CD2 4.28Å; F15-Y29 HydrophobicContact CE2-CG 4.08Å; F15-Y29 HydrophobicContact CZ-CD2 4.14Å; F15-Y29 AromaticContact CZ-CG 3.96Å; F15-Y29 HydrophobicContact CZ-CG 3.96Å; L25-Y29 HydrophobicContact CD1-CD2 3.57Å; L25-Y29 HydrophobicContact CD1-CE2 3.82Å; L25-Y29 HydrophobicContact CG-CD2 4.19Å; L25-Y29 PolarHBondContact O-N 3.4Å; Y29-K31 PolarHBondContact O-N 2.78Å; Y29-E32 WeakPolarHBondContact CA-OE2 3.26Å; Y29-E32 WeakPolarHBondContact CB-OE2 3.25Å; Y29-I33 WeakPolarHBondContact O-CG1 3.47Å; Y29-I33 PolarHBondContact O-N 3.49Å
30P96.1Very high96.1Very high56 Ų5649.5 Ų49.536%0.36424%0.237SC..Hα-helixtrans-64.6-41.2-174.325-33.6000111.7L26 C28 E32 I33 Y34L26-P30 WeakPolarHBondContact O-CA 3.35Å; C28-P30 VanDerWaalsContact C-CD 3.44Å; P30-E32 PolarHBondContact O-N 3.39Å; P30-I33 PolarHBondContact O-N 2.79Å; P30-Y34 HydrophobicContact CB-CD2 4.44Å; P30-Y34 WeakPolarHBondContact O-CB 3.29Å; P30-Y34 WeakPolarHBondContact O-CD2 3.43Å; P30-Y34 PolarHBondContact O-N 2.68Å
31K96.6Very high96.1Very high178 Ų17848.8 Ų48.877%0.77423%0.233SC*.Hα-helixtrans-63.9-45.1-174.9-68-177.2179.81790111.7Y29 K35Y29-K31 PolarHBondContact O-N 2.78Å; K31-K35 WeakPolarHBondContact O-CB 3.39Å; K31-K35 PolarHBondContact O-N 3.06Å
32E96.5Very high96Very high74 Ų7451.4 Ų51.435%0.34625%0.249SC..Hα-helixtrans-64.5-45179.8-6378.5-178.100110.4F15 Y29 P30 K35 I36F15-E32 HydrophobicContact CZ-CB 4.41Å; Y29-E32 WeakPolarHBondContact CA-OE2 3.26Å; Y29-E32 WeakPolarHBondContact CB-OE2 3.25Å; P30-E32 PolarHBondContact O-N 3.39Å; E32-K35 WeakPolarHBondContact O-CB 3.41Å; E32-K35 PolarHBondContact O-N 2.82Å; E32-I36 VanDerWaalsContact O-CG1 3.3Å; E32-I36 WeakPolarHBondContact O-CG1 3.47Å; E32-I36 PolarHBondContact O-N 3.05Å
33I97.4Very high96.1Very high0 Ų049.8 Ų49.80%024%0.241CC..Hα-helixtrans-68.7-41.8179.9-71.8165.5000112F15 F21 L25 L26 Y29 P30 I36 N37 P66 L345F15-I33 HydrophobicContact CE1-CD1 4.39Å; F15-I33 HydrophobicContact CE1-CG1 3.91Å; F15-I33 HydrophobicContact CZ-CG1 4.44Å; F21-I33 HydrophobicContact CD2-CD1 4.01Å; F21-I33 HydrophobicContact CD2-CG1 4.49Å; F21-I33 HydrophobicContact CE2-CD1 3.95Å; F21-I33 HydrophobicContact CE2-CG1 4.44Å; F21-I33 HydrophobicContact CE2-CG2 3.9Å; L25-I33 HydrophobicContact CB-CD1 4.34Å; L25-I33 HydrophobicContact CD2-CD1 4.32Å; L25-I33 HydrophobicContact CG-CD1 4.06Å; L26-I33 VanDerWaalsContact CA-CD1 3.4Å; L26-I33 HydrophobicContact CB-CD1 4.11Å; L26-I33 HydrophobicContact CD1-CB 4.1Å; L26-I33 HydrophobicContact CD1-CD1 4.42Å; L26-I33 HydrophobicContact CD1-CG2 3.76Å; Y29-I33 WeakPolarHBondContact O-CG1 3.47Å; Y29-I33 PolarHBondContact O-N 3.49Å; P30-I33 PolarHBondContact O-N 2.79Å; I33-I36 PolarHBondContact O-N 2.73Å; I33-N37 WeakPolarHBondContact O-CB 3.27Å; I33-N37 PolarHBondContact O-N 3.47Å; I33-P66 HydrophobicContact CG2-CG 4.05Å; I33-L345 HydrophobicContact CG2-CD2 4.04Å
34Y97Very high96.1Very high59 Ų5947.8 Ų47.823%0.23123%0.232CC..Hα-helixtrans-65.4-38.6174.6-81.5-73.5000111.5L26 P30 I36 N37 D38 P66 L67L26-Y34 HydrophobicContact CD1-CE2 4.1Å; P30-Y34 HydrophobicContact CB-CD2 4.44Å; P30-Y34 WeakPolarHBondContact O-CB 3.29Å; P30-Y34 WeakPolarHBondContact O-CD2 3.43Å; P30-Y34 PolarHBondContact O-N 2.68Å; Y34-I36 PolarHBondContact O-N 2.72Å; Y34-N37 PolarHBondContact O-N 2.94Å; Y34-D38 WeakPolarHBondContact O-CB 3.47Å; Y34-D38 VanDerWaalsContact O-CG 3.22Å; Y34-D38 PolarHBondContact O-N 2.94Å; Y34-P66 HydrophobicContact CD1-CG 4.18Å; Y34-P66 HydrophobicContact CE1-CB 3.73Å; Y34-P66 HydrophobicContact CE1-CG 3.88Å; Y34-L67 HydrophobicContact CD1-CD1 4.16Å; Y34-L67 HydrophobicContact CD1-CG 4.38Å; Y34-L67 HydrophobicContact CE1-CD1 4.24Å; Y34-L67 HydrophobicContact CE1-CD2 4.4Å; Y34-L67 HydrophobicContact CE1-CG 4.06Å
35K96.7Very high96Very high80 Ų8047.6 Ų47.635%0.34823%0.23SC..Hα-helixtrans-55.5-51.4171.7-178.7-169.1171.2-166.50111D8 E11 K31 E32 N37 D38 I39D8-K35 IonicContact OD1-NZ 3.85Å; D8-K35 PolarHBondContact OD1-NZ 3.14Å; D8-K35 VanDerWaalsContact OD1-NZ 3.13Å; E11-K35 IonicContact OE2-NZ 2.76Å; E11-K35 PolarHBondContact OE2-NZ 3.34Å; K31-K35 WeakPolarHBondContact O-CB 3.39Å; K31-K35 PolarHBondContact O-N 3.06Å; E32-K35 WeakPolarHBondContact O-CB 3.41Å; E32-K35 PolarHBondContact O-N 2.82Å; K35-N37 VanDerWaalsContact C-N 3.35Å; K35-N37 PolarHBondContact O-N 2.9Å; K35-D38 PolarHBondContact O-N 3.38Å; K35-I39 HydrophobicContact CG-CD1 4.15Å; K35-I39 WeakPolarHBondContact O-CG1 2.93Å; K35-I39 PolarHBondContact O-N 3.36Å; K35-I39 VanDerWaalsContact O-N 3.11Å
36I97.8Very high95.6Very high9 Ų950.5 Ų50.55%0.04624%0.243CC..Hα-helixtrans-61.1-44.6179.4-64.8161.9000110.8L12 F15 E32 I33 Y34 C40 Y336 F344 L345L12-I36 HydrophobicContact CD1-CD1 3.9Å; L12-I36 HydrophobicContact CD1-CG1 4.21Å; L12-I36 HydrophobicContact CD1-CG2 3.85Å; F15-I36 HydrophobicContact CD1-CD1 3.84Å; F15-I36 HydrophobicContact CE1-CD1 4.33Å; E32-I36 VanDerWaalsContact O-CG1 3.3Å; E32-I36 WeakPolarHBondContact O-CG1 3.47Å; E32-I36 PolarHBondContact O-N 3.05Å; I33-I36 PolarHBondContact O-N 2.73Å; Y34-I36 PolarHBondContact O-N 2.72Å; I36-C40 PolarHBondContact O-N 3.35Å; I36-C40 PolarHBondContact O-SG 3.2Å; I36-Y336 WeakPolarHBondContact CA-OH 3.37Å; I36-Y336 HydrophobicContact CG2-CE1 4.43Å; I36-F344 HydrophobicContact CD1-CD1 4.32Å; I36-F344 HydrophobicContact CD1-CE1 3.85Å; I36-F344 HydrophobicContact CG2-CD1 4.31Å; I36-L345 HydrophobicContact CG2-CD1 4.12Å; I36-L345 HydrophobicContact CG2-CD2 4.36Å; I36-L345 HydrophobicContact CG2-CG 4.22Å
37N97.4Very high95.1Very high0 Ų053.5 Ų53.50%026%0.259CS..Hα-helixtrans-66.8-39.4-178.7-158164.3000112.3I33 Y34 K35 C40 N41 P65 P66 L67 L345I33-N37 WeakPolarHBondContact O-CB 3.27Å; I33-N37 PolarHBondContact O-N 3.47Å; Y34-N37 PolarHBondContact O-N 2.94Å; K35-N37 VanDerWaalsContact C-N 3.35Å; K35-N37 PolarHBondContact O-N 2.9Å; N37-C40 PolarHBondContact O-N 3Å; N37-N41 PolarHBondContact ND2-ND2 2.9Å; N37-N41 PolarHBondContact ND2-OD1 2.86Å; N37-N41 WeakPolarHBondContact O-CB 3.3Å; N37-N41 VanDerWaalsContact O-CG 3.27Å; N37-N41 PolarHBondContact O-N 3.03Å; N37-N41 PolarHBondContact O-ND2 3.36Å; N37-P65 WeakPolarHBondContact OD1-CB 3.28Å; N37-P66 HydrophobicContact CB-CG 4.41Å; N37-P66 WeakPolarHBondContact OD1-CD 3.43Å; N37-P66 VanDerWaalsContact OD1-CG 3.28Å; N37-P66 WeakPolarHBondContact OD1-CG 3.37Å; N37-L67 PolarHBondContact ND2-O 3.11Å; N37-L67 PolarHBondContact OD1-N 2.89Å; N37-L67 PolarHBondContact OD1-O 3Å; N37-L345 HydrophobicContact CB-CD1 3.97Å; N37-L345 HydrophobicContact CB-CD2 4.46Å
38D96.7Very high94.6Very high79 Ų7949.2 Ų49.242%0.42224%0.242SC..Hα-helixtrans-66.7-40.5179-74.1-16.9000111.7Y34 K35 N41 T42Y34-D38 WeakPolarHBondContact O-CB 3.47Å; Y34-D38 VanDerWaalsContact O-CG 3.22Å; Y34-D38 PolarHBondContact O-N 2.94Å; K35-D38 PolarHBondContact O-N 3.38Å; D38-N41 PolarHBondContact O-N 2.81Å; D38-T42 WeakPolarHBondContact O-CB 3.47Å; D38-T42 PolarHBondContact O-N 3.39Å; D38-T42 PolarHBondContact O-OG1 3.47Å
39I97.3Very high94.1Very high17 Ų1749.9 Ų49.99%0.08725%0.245CC..Hα-helixtrans-61.3-50172.8-65.7168.7000109.6L2 V4 K35 N41 T42 L43 Y336L2-I39 HydrophobicContact CD2-CB 4.26Å; L2-I39 HydrophobicContact CD2-CG1 4.1Å; L2-I39 HydrophobicContact CD2-CG2 3.73Å; V4-I39 HydrophobicContact CG2-CG2 4.11Å; K35-I39 HydrophobicContact CG-CD1 4.15Å; K35-I39 WeakPolarHBondContact O-CG1 2.93Å; K35-I39 PolarHBondContact O-N 3.36Å; K35-I39 VanDerWaalsContact O-N 3.11Å; I39-N41 VanDerWaalsContact C-N 3.33Å; I39-N41 PolarHBondContact O-N 3.23Å; I39-T42 PolarHBondContact O-N 3.07Å; I39-L43 HydrophobicContact CG2-CD1 3.97Å; I39-L43 HydrophobicContact CG2-CG 4.34Å; I39-L43 VanDerWaalsContact O-CG 3.29Å; I39-L43 WeakPolarHBondContact O-CG 3.05Å; I39-L43 PolarHBondContact O-N 3.1Å; I39-Y336 HydrophobicContact CB-CD1 4.33Å; I39-Y336 HydrophobicContact CB-CE1 3.65Å; I39-Y336 HydrophobicContact CD1-CE1 4.31Å; I39-Y336 HydrophobicContact CD1-CE2 4.47Å; I39-Y336 WeakPolarHBondContact CD1-OH 3.35Å; I39-Y336 HydrophobicContact CG2-CD1 3.47Å; I39-Y336 VanDerWaalsContact CG2-CD1 3.47Å; I39-Y336 HydrophobicContact CG2-CE1 3.27Å; I39-Y336 HydrophobicContact CG2-CG 4.21Å
40C97.1Very high93.9Very high0 Ų045.2 Ų45.20%023%0.23CC..Hα-helixtrans-58.9-42178.9-67.70000113I36 N37 T44 L337 Y341 L345I36-C40 PolarHBondContact O-N 3.35Å; I36-C40 PolarHBondContact O-SG 3.2Å; N37-C40 PolarHBondContact O-N 3Å; C40-T44 WeakPolarHBondContact O-CB 3.27Å; C40-T44 PolarHBondContact O-N 3.49Å; C40-T44 PolarHBondContact O-OG1 3.16Å; C40-L337 HydrophobicContact CB-CD1 4.31Å; C40-Y341 HydrophobicContact CB-CD2 3.82Å; C40-Y341 HydrophobicContact CB-CG 4.32Å; C40-L345 HydrophobicContact CB-CD1 4.43Å
41N95.7Very high93.7Very high7 Ų746.1 Ų46.14%0.03723%0.229CC..Hα-helixtrans-67-43178-74.1-17.8000111.1N37 D38 I39 L43 T44 F45 I52 L67N37-N41 PolarHBondContact ND2-ND2 2.9Å; N37-N41 PolarHBondContact ND2-OD1 2.86Å; N37-N41 WeakPolarHBondContact O-CB 3.3Å; N37-N41 VanDerWaalsContact O-CG 3.27Å; N37-N41 PolarHBondContact O-N 3.03Å; N37-N41 PolarHBondContact O-ND2 3.36Å; D38-N41 PolarHBondContact O-N 2.81Å; I39-N41 VanDerWaalsContact C-N 3.33Å; I39-N41 PolarHBondContact O-N 3.23Å; N41-L43 PolarHBondContact O-N 3.05Å; N41-T44 PolarHBondContact O-N 3.41Å; N41-F45 HydrophobicContact CB-CE2 4.31Å; N41-F45 HydrophobicContact CB-CZ 4.4Å; N41-F45 WeakPolarHBondContact O-CB 3.43Å; N41-F45 WeakPolarHBondContact O-CD1 3.22Å; N41-F45 WeakPolarHBondContact O-CD2 3.11Å; N41-F45 WeakPolarHBondContact O-CG 3.49Å; N41-F45 PolarHBondContact O-N 2.91Å; N41-I52 HydrophobicContact CB-CD1 4.42Å; N41-I52 WeakPolarHBondContact ND2-CD1 3.13Å; N41-L67 WeakPolarHBondContact ND2-CB 3.16Å; N41-L67 PolarHBondContact ND2-O 3.4Å
42T95.6Very high93.6Very high55 Ų5540.4 Ų40.434%0.33721%0.206SC..Hα-helixtrans-57.1-51.1175.8-58.10000110.5L2 D38 I39 T44 F45 E46L2-T42 HydrophobicContact CB-CG2 3.92Å; L2-T42 HydrophobicContact CD1-CG2 4.42Å; L2-T42 HydrophobicContact CD2-CG2 4.44Å; L2-T42 HydrophobicContact CG-CG2 4.5Å; D38-T42 WeakPolarHBondContact O-CB 3.47Å; D38-T42 PolarHBondContact O-N 3.39Å; D38-T42 PolarHBondContact O-OG1 3.47Å; I39-T42 PolarHBondContact O-N 3.07Å; T42-T44 VanDerWaalsContact C-N 3.3Å; T42-T44 PolarHBondContact O-N 2.9Å; T42-F45 PolarHBondContact O-N 3.19Å; T42-F45 VanDerWaalsContact O-N 3.15Å; T42-E46 WeakPolarHBondContact O-CG 3.23Å; T42-E46 PolarHBondContact O-N 3.23Å
43L95.9Very high93.6Very high0 Ų037.7 Ų37.70%019%0.194CC..Hα-helixtrans-61.8-36.8178.1-63.1175.9000112.7V4 I39 N41 F45 L329 Q333 Y336 L337V4-L43 HydrophobicContact CG2-CD1 4.13Å; V4-L43 HydrophobicContact CG2-CD2 4.19Å; I39-L43 HydrophobicContact CG2-CD1 3.97Å; I39-L43 HydrophobicContact CG2-CG 4.34Å; I39-L43 VanDerWaalsContact O-CG 3.29Å; I39-L43 WeakPolarHBondContact O-CG 3.05Å; I39-L43 PolarHBondContact O-N 3.1Å; N41-L43 PolarHBondContact O-N 3.05Å; L43-F45 VanDerWaalsContact C-N 3.34Å; L43-L329 HydrophobicContact CB-CD1 4.2Å; L43-L329 HydrophobicContact CB-CD2 4.38Å; L43-L329 HydrophobicContact CD2-CD2 3.95Å; L43-Q333 HydrophobicContact CD1-CB 4.38Å; L43-Q333 WeakPolarHBondContact CD1-O 2.94Å; L43-Q333 HydrophobicContact CD2-CB 3.9Å; L43-Q333 HydrophobicContact CD2-CG 3.83Å; L43-Y336 HydrophobicContact CD1-CD1 4.25Å; L43-L337 HydrophobicContact CB-CD1 4.44Å; L43-L337 HydrophobicContact CD1-CB 4.1Å
44T92.8Very high93.5Very high6 Ų643.6 Ų43.64%0.03722%0.222CC..Hα-helixtrans-65.8-38.7176.4-610000111.6C40 N41 T42 C48 A69 L337C40-T44 WeakPolarHBondContact O-CB 3.27Å; C40-T44 PolarHBondContact O-N 3.49Å; C40-T44 PolarHBondContact O-OG1 3.16Å; N41-T44 PolarHBondContact O-N 3.41Å; T42-T44 VanDerWaalsContact C-N 3.3Å; T42-T44 PolarHBondContact O-N 2.9Å; T44-C48 WeakPolarHBondContact O-CB 3.15Å; T44-C48 PolarHBondContact O-N 3.36Å; T44-A69 HydrophobicContact CG2-CB 4.23Å; T44-L337 WeakPolarHBondContact OG1-CD1 3.21Å
45F91.8Very high93.4Very high76 Ų7640.8 Ų40.833%0.33321%0.211SC..Hα-helixtrans-81.3-14.2-172.8-65-8.7000114.4N41 T42 L43 D47 A50 I52 A69N41-F45 HydrophobicContact CB-CE2 4.31Å; N41-F45 HydrophobicContact CB-CZ 4.4Å; N41-F45 WeakPolarHBondContact O-CB 3.43Å; N41-F45 WeakPolarHBondContact O-CD1 3.22Å; N41-F45 WeakPolarHBondContact O-CD2 3.11Å; N41-F45 WeakPolarHBondContact O-CG 3.49Å; N41-F45 PolarHBondContact O-N 2.91Å; T42-F45 PolarHBondContact O-N 3.19Å; T42-F45 VanDerWaalsContact O-N 3.15Å; L43-F45 VanDerWaalsContact C-N 3.34Å; F45-D47 VanDerWaalsContact C-N 3.32Å; F45-D47 PolarHBondContact O-N 3.18Å; F45-A50 HydrophobicContact CD1-CB 3.76Å; F45-A50 HydrophobicContact CE1-CB 3.31Å; F45-A50 HydrophobicContact CZ-CB 4.22Å; F45-I52 HydrophobicContact CE1-CD1 4.46Å; F45-I52 HydrophobicContact CE2-CD1 3.92Å; F45-I52 HydrophobicContact CE2-CG1 4.11Å; F45-I52 HydrophobicContact CZ-CD1 3.4Å; F45-I52 VanDerWaalsContact CZ-CD1 3.4Å; F45-I52 HydrophobicContact CZ-CG1 3.85Å; F45-A69 HydrophobicContact CE1-CB 3.76Å; F45-A69 HydrophobicContact CZ-CB 4.3Å
46E86.1Confident93Very high76 Ų7641.2 Ų41.236%0.35522%0.215SC..Hα-helixtrans-57.7-44.3177.2-69.3-80.6-171.200111.2M1 T42M1-E46 WeakPolarHBondContact CA-OE1 3.15Å; T42-E46 WeakPolarHBondContact O-CG 3.23Å; T42-E46 PolarHBondContact O-N 3.23Å
47D84.2Confident92.5Very high66 Ų6645.4 Ų45.435%0.35324%0.238SC..Hα-helixtrans-117.4-14-177.5-66.3-51.3000114.5F45 H326 C327 S328F45-D47 VanDerWaalsContact C-N 3.32Å; F45-D47 PolarHBondContact O-N 3.18Å; D47-H326 WeakPolarHBondContact OD2-CA 3.45Å; D47-C327 PolarHBondContact OD2-N 2.89Å; D47-S328 VanDerWaalsContact CG-OG 3.24Å; D47-S328 PolarHBondContact OD1-OG 3.48Å; D47-S328 VanDerWaalsContact OD2-CB 3.29Å; D47-S328 WeakPolarHBondContact OD2-CB 3.48Å; D47-S328 PolarHBondContact OD2-N 3.13Å; D47-S328 PolarHBondContact OD2-OG 2.92Å
48C84.3Confident92.1Very high15 Ų1545.6 Ų45.610%0.10124%0.24CC..SBendtrans-125.8102.1-174.4-164.80000111.3T44 A50T44-C48 WeakPolarHBondContact O-CB 3.15Å; T44-C48 PolarHBondContact O-N 3.36Å; C48-A50 PolarHBondContact O-N 3.47Å
49P87.3Confident91.8Very high85 Ų8549.4 Ų49.455%0.55225%0.249SC*.  trans-57.7126.4175.7-23.833.2000111.2R72P49-R72 PolarHBondContact O-N 3.41Å
50A91.3Very high91.5Very high12 Ų1249.2 Ų49.210%0.09925%0.248CC..EExtended strand (participates in β ladder)trans-147.6165.9-177.300000110.9F45 C48 A69 I70F45-A50 HydrophobicContact CD1-CB 3.76Å; F45-A50 HydrophobicContact CE1-CB 3.31Å; F45-A50 HydrophobicContact CZ-CB 4.22Å; C48-A50 PolarHBondContact O-N 3.47Å; A50-A69 HydrophobicContact CB-CB 4.45Å; A50-I70 CarbonylContact C-O 3.57Å; A50-I70 VanDerWaalsContact CA-O 3.22Å; A50-I70 WeakPolarHBondContact CA-O 3.44Å; A50-I70 VanDerWaalsContact CB-O 3.3Å; A50-I70 WeakPolarHBondContact CB-O 3.5Å
51E92.7Very high91.4Very high74 Ų7449.2 Ų49.235%0.34625%0.248SC..EExtended strand (participates in β ladder)trans-118154.4175.1-65.3177.2-131.300109.7I70 R72 L80E51-I70 PolarHBondContact N-O 3.46Å; E51-I70 PolarHBondContact O-N 2.88Å; E51-R72 HydrophobicContact CG-CG 4.08Å; E51-R72 VanDerWaalsContact CG-NH2 3.35Å; E51-R72 WeakPolarHBondContact OE1-CG 3.38Å; E51-R72 IonicContact OE1-CZ 2.81Å; E51-R72 IonicContact OE1-NE 2.9Å; E51-R72 PolarHBondContact OE1-NE 2.84Å; E51-R72 IonicContact OE1-NH2 3.35Å; E51-L80 HydrophobicContact CB-CD2 3.78Å
52I94.9Very high91.3Very high58 Ų5849.3 Ų49.330%0.29725%0.25SS..EExtended strand (participates in β ladder)trans-95.5120.2-179.1-65.2-66.9000109.8N41 F45 L67 L80N41-I52 HydrophobicContact CB-CD1 4.42Å; N41-I52 WeakPolarHBondContact ND2-CD1 3.13Å; F45-I52 HydrophobicContact CE1-CD1 4.46Å; F45-I52 HydrophobicContact CE2-CD1 3.92Å; F45-I52 HydrophobicContact CE2-CG1 4.11Å; F45-I52 HydrophobicContact CZ-CD1 3.4Å; F45-I52 VanDerWaalsContact CZ-CD1 3.4Å; F45-I52 HydrophobicContact CZ-CG1 3.85Å; I52-L67 HydrophobicContact CD1-CB 4.44Å; I52-L67 HydrophobicContact CG2-CB 3.99Å; I52-L67 HydrophobicContact CG2-CD2 3.94Å; I52-L67 HydrophobicContact CG2-CG 4.48Å; I52-L80 WeakPolarHBondContact O-CD2 3.48Å
53L95.4Very high91.2Very high17 Ų1747.5 Ų47.59%0.08924%0.238CC..EExtended strand (participates in β ladder)trans-92.1122.6163.4176.269.4000109.1M60 I68 I70 L80 M87L53-M60 HydrophobicContact CD1-SD 4.24Å; L53-M60 HydrophobicContact CD2-CE 4.07Å; L53-M60 HydrophobicContact CD2-SD 4.05Å; L53-M60 HydrophobicContact CG-SD 4.14Å; L53-I68 HydrophobicContact CB-CB 4.28Å; L53-I68 HydrophobicContact CD2-CD1 4.49Å; L53-I68 PolarHBondContact N-O 3.35Å; L53-I68 PolarHBondContact O-N 3.23Å; L53-I70 HydrophobicContact CB-CD1 4.29Å; L53-I70 HydrophobicContact CB-CG1 3.76Å; L53-I70 HydrophobicContact CD2-CD1 4.35Å; L53-L80 HydrophobicContact CB-CD1 4.4Å; L53-M87 HydrophobicContact CD2-SD 3.45Å; L53-M87 WeakPolarHBondContact CD2-SD 3.28Å
54E95.4Very high91.3Very high124 Ų12447.5 Ų47.558%0.57924%0.238SC*.EExtended strand (participates in β ladder)trans-80.7122.8179-63.6-176.2-178.700111.6M56 L67E54-M56 HydrophobicContact CB-CG 4.1Å; E54-M56 HydrophobicContact CB-SD 4.46Å; E54-L67 HydrophobicContact CG-CD2 4.39Å
55N95.2Very high91.5Very high0 Ų047.2 Ų47.20%024%0.236CC..  trans-112.256.9171.1176.835.5000109.1N57 G58 Y59 M60 C61 Y64 P65 P66 I68N55-N57 PolarHBondContact O-N 3.28Å; N55-G58 PolarHBondContact O-N 3.48Å; N55-G58 VanDerWaalsContact OD1-C 3.23Å; N55-G58 WeakPolarHBondContact OD1-CA 3.28Å; N55-Y59 PolarHBondContact OD1-N 3.25Å; N55-M60 WeakPolarHBondContact OD1-CA 3.29Å; N55-M60 VanDerWaalsContact OD1-CB 3.29Å; N55-M60 WeakPolarHBondContact OD1-CB 3.38Å; N55-M60 PolarHBondContact OD1-N 3.32Å; N55-C61 PolarHBondContact ND2-O 3.19Å; N55-C61 PolarHBondContact OD1-N 2.83Å; N55-C61 VanDerWaalsContact OD1-N 3.08Å; N55-Y64 PolarHBondContact ND2-O 3.44Å; N55-P65 WeakPolarHBondContact CB-O 3.11Å; N55-P65 PolarHBondContact ND2-O 3.32Å; N55-P66 PolarHBondContact N-O 3.38Å; N55-I68 HydrophobicContact CB-CD1 4.05Å; N55-I68 HydrophobicContact CB-CG1 4.37Å
56M88.2Confident91.8Very high89 Ų8943.6 Ų43.644%0.43822%0.22SC..G310 helixtrans-52.5125.7-174.1-64.8-59.9-82.800111.4E54 G58 Y59E54-M56 HydrophobicContact CB-CG 4.1Å; E54-M56 HydrophobicContact CB-SD 4.46Å; M56-G58 PolarHBondContact O-N 3.26Å; M56-Y59 VanDerWaalsContact O-CB 3.25Å; M56-Y59 WeakPolarHBondContact O-CB 3.09Å; M56-Y59 PolarHBondContact O-N 3.09Å
57N86.7Confident92.3Very high98 Ų9841.3 Ų41.352%0.52421%0.21SC..G310 helixtrans54.322.3-179.1-57.5-42.4000114.8N55 Y59N55-N57 PolarHBondContact O-N 3.28Å; N57-Y59 VanDerWaalsContact C-N 3.3Å; N57-Y59 PolarHBondContact O-N 2.68Å
58G88.7Confident92.9Very high4 Ų438.1 Ų38.14%0.04119%0.194CC..G310 helixtrans74.715.6-176.600000114.5N55 M56 M60 C61 G62N55-G58 PolarHBondContact O-N 3.48Å; N55-G58 VanDerWaalsContact OD1-C 3.23Å; N55-G58 WeakPolarHBondContact OD1-CA 3.28Å; M56-G58 PolarHBondContact O-N 3.26Å; G58-M60 VanDerWaalsContact C-N 3.31Å; G58-M60 PolarHBondContact O-N 2.86Å; G58-C61 CarbonylContact O-C 3.15Å; G58-C61 PolarHBondContact O-N 3.19Å; G58-G62 PolarHBondContact O-N 2.82Å
59Y90.6Very high93.4Very high159 Ų15937.6 Ų37.662%0.62419%0.19SC*.SBendtrans-55.8-41.1-174.2175.6-106.3000113.8N55 M56 N57 L88 K91N55-Y59 PolarHBondContact OD1-N 3.25Å; M56-Y59 VanDerWaalsContact O-CB 3.25Å; M56-Y59 WeakPolarHBondContact O-CB 3.09Å; M56-Y59 PolarHBondContact O-N 3.09Å; N57-Y59 VanDerWaalsContact C-N 3.3Å; N57-Y59 PolarHBondContact O-N 2.68Å; Y59-L88 HydrophobicContact CD1-CD1 4.17Å; Y59-L88 HydrophobicContact CE1-CD1 3.62Å; Y59-L88 HydrophobicContact CE1-CD2 3.94Å; Y59-L88 HydrophobicContact CE1-CG 4.46Å; Y59-K91 PolarHBondContact O-NZ 3.48Å
60M92Very high93.7Very high12 Ų1233.7 Ų33.76%0.05916%0.164CC..SBendtrans-73.8-55174.6-56.4-17669.500109.3L53 N55 G58 G84 M87 L88 K91 F99L53-M60 HydrophobicContact CD1-SD 4.24Å; L53-M60 HydrophobicContact CD2-CE 4.07Å; L53-M60 HydrophobicContact CD2-SD 4.05Å; L53-M60 HydrophobicContact CG-SD 4.14Å; N55-M60 WeakPolarHBondContact OD1-CA 3.29Å; N55-M60 VanDerWaalsContact OD1-CB 3.29Å; N55-M60 WeakPolarHBondContact OD1-CB 3.38Å; N55-M60 PolarHBondContact OD1-N 3.32Å; G58-M60 VanDerWaalsContact C-N 3.31Å; G58-M60 PolarHBondContact O-N 2.86Å; M60-G84 WeakPolarHBondContact CE-O 3.48Å; M60-M87 HydrophobicContact CE-CB 3.58Å; M60-L88 HydrophobicContact CE-CB 4.27Å; M60-L88 HydrophobicContact CG-CD1 4.41Å; M60-K91 WeakPolarHBondContact O-CD 3.21Å; M60-K91 PolarHBondContact O-NZ 2.94Å; M60-K91 VanDerWaalsContact O-NZ 3.12Å; M60-F99 HydrophobicContact CB-CE1 3.69Å; M60-F99 HydrophobicContact CB-CZ 4.17Å; M60-F99 HydrophobicContact CE-CE1 4.29Å; M60-F99 HydrophobicContact CE-CE2 4.49Å; M60-F99 HydrophobicContact CE-CZ 3.98Å
61C94.3Very high93.7Very high1 Ų133.3 Ų33.31%0.00716%0.161CC..  trans-146.5117.5175.9176.40000110.5N55 G58 H63 Y64 F99N55-C61 PolarHBondContact ND2-O 3.19Å; N55-C61 PolarHBondContact OD1-N 2.83Å; N55-C61 VanDerWaalsContact OD1-N 3.08Å; G58-C61 CarbonylContact O-C 3.15Å; G58-C61 PolarHBondContact O-N 3.19Å; C61-H63 PolarHBondContact O-N 2.91Å; C61-Y64 HydrophobicContact CB-CD2 3.65Å; C61-Y64 HydrophobicContact CB-CE2 4.27Å; C61-Y64 HydrophobicContact CB-CG 3.81Å; C61-Y64 PolarHBondContact O-N 3.42Å; C61-Y64 VanDerWaalsContact O-N 3.1Å; C61-F99 HydrophobicContact CB-CD1 4.08Å; C61-F99 HydrophobicContact CB-CE1 3.68Å
62G93.6Very high93.2Very high8 Ų836.9 Ų36.98%0.08217%0.171CC..THydrogen-bonded Turntrans-68.35.7179.100000114.8N22 E23 G58N22-G62 CarbonylContact C-O 3.53Å; N22-G62 VanDerWaalsContact C-O 3.24Å; N22-G62 WeakPolarHBondContact CA-O 3.32Å; E23-G62 PolarHBondContact N-O 3.44Å; G58-G62 PolarHBondContact O-N 2.82Å
63H94.5Very high92.3Very high17 Ų1734.6 Ų34.68%0.07916%0.16CC..THydrogen-bonded Turntrans-121.98.5176.3-62.3103.1000113.1C61 D137 F346 G347C61-H63 PolarHBondContact O-N 2.91Å; H63-D137 IonicContact CE1-OD2 2.72Å; H63-D137 PolarHBondContact CE1-OD2 2.93Å; H63-F346 CarbonylContact O-C 3.59Å; H63-F346 WeakPolarHBondContact O-CA 3.28Å; H63-G347 PolarHBondContact O-N 3.2Å
64Y97.4Very high91Very high0 Ų043.5 Ų43.50%019%0.193CC..SBendtrans-111159.7177.7-75.7-3.1000111.3F21 N55 C61 I68 R98 F99 V101 L345 F346F21-Y64 VanDerWaalsContact CE1-O 3.3Å; F21-Y64 WeakPolarHBondContact CE1-O 3.47Å; F21-Y64 WeakPolarHBondContact CZ-O 3.32Å; N55-Y64 PolarHBondContact ND2-O 3.44Å; C61-Y64 HydrophobicContact CB-CD2 3.65Å; C61-Y64 HydrophobicContact CB-CE2 4.27Å; C61-Y64 HydrophobicContact CB-CG 3.81Å; C61-Y64 PolarHBondContact O-N 3.42Å; C61-Y64 VanDerWaalsContact O-N 3.1Å; Y64-I68 HydrophobicContact CD2-CD1 4.31Å; Y64-R98 HydrophobicContact CE1-CB 4.09Å; Y64-R98 HydrophobicContact CE1-CG 3.89Å; Y64-R98 WeakPolarHBondContact OH-CB 3.49Å; Y64-F99 HydrophobicContact CD2-CD1 4.26Å; Y64-F99 AromaticContact CD2-CE1 3.68Å; Y64-F99 HydrophobicContact CD2-CE1 3.68Å; Y64-F99 HydrophobicContact CD2-CE2 4.21Å; Y64-F99 AromaticContact CD2-CZ 3.66Å; Y64-F99 HydrophobicContact CD2-CZ 3.66Å; Y64-F99 HydrophobicContact CE2-CD1 4.01Å; Y64-F99 HydrophobicContact CE2-CD2 4.19Å; Y64-F99 AromaticContact CE2-CE1 3.88Å; Y64-F99 HydrophobicContact CE2-CE1 3.88Å; Y64-F99 HydrophobicContact CE2-CE2 4.07Å; Y64-F99 HydrophobicContact CE2-CG 4.16Å; Y64-F99 AromaticContact CE2-CZ 3.92Å; Y64-F99 HydrophobicContact CE2-CZ 3.92Å; Y64-F99 WeakPolarHBondContact CE2-O 3.21Å; Y64-F99 PolarHBondContact OH-O 3.31Å; Y64-V101 HydrophobicContact CD2-CG1 4.26Å; Y64-V101 HydrophobicContact CE2-CB 4.32Å; Y64-V101 HydrophobicContact CE2-CG1 3.63Å; Y64-L345 CarbonylContact C-O 3.54Å; Y64-L345 VanDerWaalsContact C-O 3.26Å; Y64-F346 AromaticContact CD1-CD1 3.43Å; Y64-F346 HydrophobicContact CD1-CD1 3.43Å; Y64-F346 VanDerWaalsContact CD1-CD1 3.43Å; Y64-F346 AromaticContact CD1-CE1 3.89Å; Y64-F346 HydrophobicContact CD1-CE1 3.89Å; Y64-F346 HydrophobicContact CD1-CG 4.37Å; Y64-F346 HydrophobicContact CD2-CE1 4.49Å; Y64-F346 AromaticContact CE1-CD1 3.57Å; Y64-F346 HydrophobicContact CE1-CD1 3.57Å; Y64-F346 HydrophobicContact CE1-CE1 4.04Å; Y64-F346 HydrophobicContact CG-CD1 4.1Å; Y64-F346 HydrophobicContact CG-CE1 4.13Å
65P97.3Very high89.6Confident0 Ų042.6 Ų42.60%019%0.188CC..  trans-56.5149.7179.7-15.122.1000111.2N37 N55 L67 I68 Y341 L345 F346N37-P65 WeakPolarHBondContact OD1-CB 3.28Å; N55-P65 WeakPolarHBondContact CB-O 3.11Å; N55-P65 PolarHBondContact ND2-O 3.32Å; P65-L67 VanDerWaalsContact C-N 3.25Å; P65-L67 PolarHBondContact O-N 2.94Å; P65-I68 HydrophobicContact CB-CG1 4.42Å; P65-I68 HydrophobicContact CG-CG1 4.47Å; P65-I68 WeakPolarHBondContact O-CG1 3.39Å; P65-Y341 HydrophobicContact CG-CE2 4.06Å; P65-L345 HydrophobicContact CB-CB 3.99Å; P65-L345 HydrophobicContact CB-CD1 4.45Å; P65-L345 WeakPolarHBondContact CD-O 3.22Å; P65-L345 HydrophobicContact CG-CB 3.75Å; P65-L345 VanDerWaalsContact N-O 3.08Å; P65-F346 HydrophobicContact CG-CD2 3.72Å; P65-F346 HydrophobicContact CG-CE2 3.45Å; P65-F346 VanDerWaalsContact CG-CE2 3.45Å; P65-F346 HydrophobicContact CG-CG 4.46Å; P65-F346 HydrophobicContact CG-CZ 3.9Å
66P97.3Very high88.1Confident0 Ų044.4 Ų44.40%020%0.197CC..SBendtrans-64.3-3017224.7-33.1000112.9L26 I33 Y34 N37 N55L26-P66 HydrophobicContact CD1-CB 4.48Å; L26-P66 HydrophobicContact CD1-CG 4.31Å; L26-P66 HydrophobicContact CD2-CB 4.12Å; I33-P66 HydrophobicContact CG2-CG 4.05Å; Y34-P66 HydrophobicContact CD1-CG 4.18Å; Y34-P66 HydrophobicContact CE1-CB 3.73Å; Y34-P66 HydrophobicContact CE1-CG 3.88Å; N37-P66 HydrophobicContact CB-CG 4.41Å; N37-P66 WeakPolarHBondContact OD1-CD 3.43Å; N37-P66 VanDerWaalsContact OD1-CG 3.28Å; N37-P66 WeakPolarHBondContact OD1-CG 3.37Å; N55-P66 PolarHBondContact N-O 3.38Å
67L96.9Very high86.8Confident28 Ų2846 Ų4615%0.14722%0.217CC..EExtended strand (participates in β ladder)trans-123.1104.9176.9-56178000109.3Y34 N37 N41 I52 E54 P65Y34-L67 HydrophobicContact CD1-CD1 4.16Å; Y34-L67 HydrophobicContact CD1-CG 4.38Å; Y34-L67 HydrophobicContact CE1-CD1 4.24Å; Y34-L67 HydrophobicContact CE1-CD2 4.4Å; Y34-L67 HydrophobicContact CE1-CG 4.06Å; N37-L67 PolarHBondContact ND2-O 3.11Å; N37-L67 PolarHBondContact OD1-N 2.89Å; N37-L67 PolarHBondContact OD1-O 3Å; N41-L67 WeakPolarHBondContact ND2-CB 3.16Å; N41-L67 PolarHBondContact ND2-O 3.4Å; I52-L67 HydrophobicContact CD1-CB 4.44Å; I52-L67 HydrophobicContact CG2-CB 3.99Å; I52-L67 HydrophobicContact CG2-CD2 3.94Å; I52-L67 HydrophobicContact CG2-CG 4.48Å; E54-L67 HydrophobicContact CG-CD2 4.39Å; P65-L67 VanDerWaalsContact C-N 3.25Å; P65-L67 PolarHBondContact O-N 2.94Å
68I96.7Very high86Confident0 Ų042.1 Ų42.10%020%0.198CC..EExtended strand (participates in β ladder)trans-95.9116.1-175.2-54.8176.7000109.4L53 N55 Y64 P65 I70 F99 V101L53-I68 HydrophobicContact CB-CB 4.28Å; L53-I68 HydrophobicContact CD2-CD1 4.49Å; L53-I68 PolarHBondContact N-O 3.35Å; L53-I68 PolarHBondContact O-N 3.23Å; N55-I68 HydrophobicContact CB-CD1 4.05Å; N55-I68 HydrophobicContact CB-CG1 4.37Å; Y64-I68 HydrophobicContact CD2-CD1 4.31Å; P65-I68 HydrophobicContact CB-CG1 4.42Å; P65-I68 HydrophobicContact CG-CG1 4.47Å; P65-I68 WeakPolarHBondContact O-CG1 3.39Å; I68-I70 HydrophobicContact CG2-CD1 3.71Å; I68-I70 PolarHBondContact O-N 3.38Å; I68-F99 HydrophobicContact CD1-CZ 4.12Å; I68-V101 HydrophobicContact CG2-CG2 3.55Å
69A94.6Very high85.9Confident3 Ų344.6 Ų44.63%0.02522%0.215CC..EExtended strand (participates in β ladder)trans-68.6114.1169.900000111.6T44 F45 A50 Y341T44-A69 HydrophobicContact CG2-CB 4.23Å; F45-A69 HydrophobicContact CE1-CB 3.76Å; F45-A69 HydrophobicContact CZ-CB 4.3Å; A50-A69 HydrophobicContact CB-CB 4.45Å; A69-Y341 PolarHBondContact N-OH 2.62Å
70I94.3Very high85.9Confident3 Ų338.8 Ų38.82%0.01520%0.195CC..EExtended strand (participates in β ladder)trans-102.1109.6174.1-54.6-57.1000108.7A50 E51 L53 I68 R72 L76 L80 L83 M87 V101A50-I70 CarbonylContact C-O 3.57Å; A50-I70 VanDerWaalsContact CA-O 3.22Å; A50-I70 WeakPolarHBondContact CA-O 3.44Å; A50-I70 VanDerWaalsContact CB-O 3.3Å; A50-I70 WeakPolarHBondContact CB-O 3.5Å; E51-I70 PolarHBondContact N-O 3.46Å; E51-I70 PolarHBondContact O-N 2.88Å; L53-I70 HydrophobicContact CB-CD1 4.29Å; L53-I70 HydrophobicContact CB-CG1 3.76Å; L53-I70 HydrophobicContact CD2-CD1 4.35Å; I68-I70 HydrophobicContact CG2-CD1 3.71Å; I68-I70 PolarHBondContact O-N 3.38Å; I70-R72 PolarHBondContact O-N 3.45Å; I70-L76 HydrophobicContact CG2-CD2 4.24Å; I70-L80 HydrophobicContact CB-CD1 4.08Å; I70-L80 HydrophobicContact CG1-CD1 3.91Å; I70-L80 HydrophobicContact CG2-CD1 4.18Å; I70-L83 HydrophobicContact CG2-CD2 4.24Å; I70-M87 HydrophobicContact CD1-CE 4.32Å; I70-V101 HydrophobicContact CD1-CG2 3.97Å
71P91Very high85.8Confident5 Ų541.9 Ų41.93%0.03222%0.222CC..EExtended strand (participates in β ladder)trans-57.9134.1179.3-23.633.9000112.4T73 P102P71-T73 PolarHBondContact O-N 3.17Å; P71-P102 HydrophobicContact CG-CB 4.11Å
72R82.1Confident85.7Confident148 Ų14846 Ų4656%0.55824%0.244SC*.  trans-72.2111.4170.5-73.4-171.1176.4128.61.4108.9P49 E51 I70P49-R72 PolarHBondContact O-N 3.41Å; E51-R72 HydrophobicContact CG-CG 4.08Å; E51-R72 VanDerWaalsContact CG-NH2 3.35Å; E51-R72 WeakPolarHBondContact OE1-CG 3.38Å; E51-R72 IonicContact OE1-CZ 2.81Å; E51-R72 IonicContact OE1-NE 2.9Å; E51-R72 PolarHBondContact OE1-NE 2.84Å; E51-R72 IonicContact OE1-NH2 3.35Å; I70-R72 PolarHBondContact O-N 3.45Å
73T75.3Confident85.7Confident10 Ų1045.7 Ų45.76%0.06124%0.24CC..  trans-114147.4172.164.90000110.2P71 H75 L76 S105 N110P71-T73 PolarHBondContact O-N 3.17Å; T73-H75 PolarHBondContact O-N 2.89Å; T73-L76 PolarHBondContact O-N 3Å; T73-L76 VanDerWaalsContact O-N 3.11Å; T73-L76 WeakPolarHBondContact OG1-CD1 3.44Å; T73-L76 PolarHBondContact OG1-N 3.07Å; T73-S105 VanDerWaalsContact CG2-OG 3.26Å; T73-S105 WeakPolarHBondContact CG2-OG 3.29Å; T73-N110 WeakPolarHBondContact CG2-OD1 3.45Å
74R68.4Low85.7Confident205 Ų20545.4 Ų45.477%0.77424%0.241SC*.THydrogen-bonded Turntrans-58.7-20.3177.6-62.5-176.5-173.11735.8113H108R74-H108 PolarHBondContact NE-NE2 3.43Å
75H66.5Low85.5Confident104 Ų10450 Ų5048%0.48126%0.263SS..THydrogen-bonded Turntrans-90.7-13.2-177.5-61.8-68.8000113.8T73 S77 N177T73-H75 PolarHBondContact O-N 2.89Å; H75-S77 VanDerWaalsContact C-N 3.25Å; H75-S77 PolarHBondContact O-N 3.46Å; H75-N177 HydrophobicContact CB-CB 4.08Å; H75-N177 PolarHBondContact CD2-ND2 2.8Å; H75-N177 VanDerWaalsContact CD2-ND2 3.34Å
76L64.8Low85.4Confident38 Ų3850.5 Ų50.520%0.19927%0.266CS..  trans-72.186.2169.7-113.281000108.4I70 T73 S78 L83 L176I70-L76 HydrophobicContact CG2-CD2 4.24Å; T73-L76 PolarHBondContact O-N 3Å; T73-L76 VanDerWaalsContact O-N 3.11Å; T73-L76 WeakPolarHBondContact OG1-CD1 3.44Å; T73-L76 PolarHBondContact OG1-N 3.07Å; L76-S78 VanDerWaalsContact C-N 3.33Å; L76-L83 HydrophobicContact CD2-CD2 3.73Å; L76-L83 HydrophobicContact CG-CD2 4.37Å; L76-L176 HydrophobicContact CD1-CD2 4.39Å
77S60.3Low85.3Confident122 Ų12250.5 Ų50.585%0.85327%0.266SS*.  trans-78.1-22.7174.459.40000112.4H75H75-S77 VanDerWaalsContact C-N 3.25Å; H75-S77 PolarHBondContact O-N 3.46Å
78S70.3Confident85.1Confident18 Ų1850.9 Ų50.913%0.12627%0.268CS..SBendtrans-83.9144.4179.852.40000111.8L76L76-S78 VanDerWaalsContact C-N 3.33Å
79S86Confident84.9Confident56 Ų5655 Ų5539%0.39229%0.287SS..  trans-59.5152.8172.1760000110.8A81 D82 L83S79-A81 PolarHBondContact O-N 3.43Å; S79-D82 PolarHBondContact O-N 2.98Å; S79-D82 VanDerWaalsContact O-N 3.14Å; S79-D82 PolarHBondContact OG-N 3.47Å; S79-D82 VanDerWaalsContact OG-N 3.13Å; S79-D82 PolarHBondContact OG-OD2 2.89Å; S79-L83 PolarHBondContact O-N 3.42Å
80L89.8Confident84.8Confident37 Ų3754.8 Ų54.819%0.19429%0.286CS..Hα-helixtrans-57.7-33.2175.2-176.164.8000111.9E51 I52 L53 I70 L83 G84E51-L80 HydrophobicContact CB-CD2 3.78Å; I52-L80 WeakPolarHBondContact O-CD2 3.48Å; L53-L80 HydrophobicContact CB-CD1 4.4Å; I70-L80 HydrophobicContact CB-CD1 4.08Å; I70-L80 HydrophobicContact CG1-CD1 3.91Å; I70-L80 HydrophobicContact CG2-CD1 4.18Å; L80-L83 PolarHBondContact O-N 3.2Å; L80-G84 PolarHBondContact O-N 2.92Å
81A90.5Very high84.7Confident76 Ų7655.7 Ų55.763%0.62829%0.289SS*.Hα-helixtrans-64-46.2176.200000111.9S79 L83 G84 Q85S79-A81 PolarHBondContact O-N 3.43Å; A81-L83 VanDerWaalsContact C-N 3.33Å; A81-L83 PolarHBondContact O-N 3.2Å; A81-G84 PolarHBondContact O-N 2.8Å; A81-Q85 WeakPolarHBondContact O-CB 3.37Å; A81-Q85 PolarHBondContact O-N 3.31Å
82D92.2Very high84.7Confident89 Ų8957.7 Ų57.748%0.47630%0.297SS..Hα-helixtrans-64.4-40.3177.3-60-42.4000111.4S79 Q85 L86S79-D82 PolarHBondContact O-N 2.98Å; S79-D82 VanDerWaalsContact O-N 3.14Å; S79-D82 PolarHBondContact OG-N 3.47Å; S79-D82 VanDerWaalsContact OG-N 3.13Å; S79-D82 PolarHBondContact OG-OD2 2.89Å; D82-Q85 PolarHBondContact O-N 2.91Å; D82-L86 WeakPolarHBondContact O-CB 3.45Å; D82-L86 PolarHBondContact O-N 3.41Å
83L93.2Very high85.1Confident1 Ų150.6 Ų50.61%0.00527%0.271CS..Hα-helixtrans-65.7-43.6176.7-174.665.6000111.4I70 L76 S79 L80 A81 Q85 L86 M87 L172 R175 L176I70-L83 HydrophobicContact CG2-CD2 4.24Å; L76-L83 HydrophobicContact CD2-CD2 3.73Å; L76-L83 HydrophobicContact CG-CD2 4.37Å; S79-L83 PolarHBondContact O-N 3.42Å; L80-L83 PolarHBondContact O-N 3.2Å; A81-L83 VanDerWaalsContact C-N 3.33Å; A81-L83 PolarHBondContact O-N 3.2Å; L83-Q85 VanDerWaalsContact C-N 3.33Å; L83-Q85 PolarHBondContact O-N 3.45Å; L83-L86 PolarHBondContact O-N 3.48Å; L83-M87 HydrophobicContact CD1-CE 4.33Å; L83-M87 HydrophobicContact CD2-CE 4.01Å; L83-M87 HydrophobicContact CG-CE 3.9Å; L83-M87 HydrophobicContact CG-SD 4.43Å; L83-M87 WeakPolarHBondContact O-CG 3.3Å; L83-M87 PolarHBondContact O-N 3.17Å; L83-L172 HydrophobicContact CD1-CD1 3.55Å; L83-R175 HydrophobicContact CD1-CB 4.3Å; L83-L176 HydrophobicContact CD1-CD2 4.21Å; L83-L176 HydrophobicContact CD2-CD2 4.03Å
84G94.3Very high86Confident10 Ų1050.1 Ų50.110%0.10327%0.268CS..Hα-helixtrans-62-40176.300000112.4M60 L80 A81 M87 L88M60-G84 WeakPolarHBondContact CE-O 3.48Å; L80-G84 PolarHBondContact O-N 2.92Å; A81-G84 PolarHBondContact O-N 2.8Å; G84-M87 PolarHBondContact O-N 3Å; G84-L88 WeakPolarHBondContact O-CB 3.43Å; G84-L88 PolarHBondContact O-N 3.49Å
85Q93.7Very high87.1Confident96 Ų9640.6 Ų40.645%0.44923%0.232SC..Hα-helixtrans-63.6-43174.6-176.958.33000111.7A81 D82 L83 L88 Q89A81-Q85 WeakPolarHBondContact O-CB 3.37Å; A81-Q85 PolarHBondContact O-N 3.31Å; D82-Q85 PolarHBondContact O-N 2.91Å; L83-Q85 VanDerWaalsContact C-N 3.33Å; L83-Q85 PolarHBondContact O-N 3.45Å; Q85-L88 PolarHBondContact O-N 3.23Å; Q85-Q89 WeakPolarHBondContact O-CG 3.46Å; Q85-Q89 PolarHBondContact O-N 2.92Å
86L94.7Very high88.1Confident11 Ų1137.6 Ų37.66%0.05822%0.217CC..Hα-helixtrans-65.2-41177-175.163.5000111.9D82 L83 L88 Q89 S90 D168 E171 L172D82-L86 WeakPolarHBondContact O-CB 3.45Å; D82-L86 PolarHBondContact O-N 3.41Å; L83-L86 PolarHBondContact O-N 3.48Å; L86-L88 VanDerWaalsContact C-N 3.33Å; L86-L88 PolarHBondContact O-N 3.3Å; L86-Q89 PolarHBondContact O-N 3.02Å; L86-S90 WeakPolarHBondContact O-CB 3.26Å; L86-S90 PolarHBondContact O-N 2.86Å; L86-S90 PolarHBondContact O-OG 2.9Å; L86-D168 HydrophobicContact CD1-CB 4.02Å; L86-E171 HydrophobicContact CD1-CG 4.32Å; L86-E171 HydrophobicContact CD2-CB 4.28Å; L86-E171 HydrophobicContact CD2-CG 3.73Å; L86-L172 HydrophobicContact CD2-CB 3.91Å; L86-L172 HydrophobicContact CD2-CD1 4.29Å; L86-L172 HydrophobicContact CG-CB 4.1Å
87M95.4Very high89.4Confident0 Ų036.6 Ų36.60%021%0.212CC..Hα-helixtrans-60.4-41.6172.8-73.5174.3173.700112.1L53 M60 I70 L83 G84 Q89 K91 F99 L172 L176L53-M87 HydrophobicContact CD2-SD 3.45Å; L53-M87 WeakPolarHBondContact CD2-SD 3.28Å; M60-M87 HydrophobicContact CE-CB 3.58Å; I70-M87 HydrophobicContact CD1-CE 4.32Å; L83-M87 HydrophobicContact CD1-CE 4.33Å; L83-M87 HydrophobicContact CD2-CE 4.01Å; L83-M87 HydrophobicContact CG-CE 3.9Å; L83-M87 HydrophobicContact CG-SD 4.43Å; L83-M87 WeakPolarHBondContact O-CG 3.3Å; L83-M87 PolarHBondContact O-N 3.17Å; G84-M87 PolarHBondContact O-N 3Å; M87-Q89 VanDerWaalsContact C-N 3.34Å; M87-K91 WeakPolarHBondContact O-CB 3.5Å; M87-K91 PolarHBondContact O-N 3.47Å; M87-F99 HydrophobicContact CB-CD2 3.74Å; M87-F99 HydrophobicContact CB-CE2 3.85Å; M87-F99 HydrophobicContact CB-CG 4.29Å; M87-F99 HydrophobicContact CB-CZ 4.47Å; M87-F99 HydrophobicContact CE-CE2 4.49Å; M87-F99 HydrophobicContact CG-CD2 3.74Å; M87-F99 HydrophobicContact CG-CE2 3.86Å; M87-F99 HydrophobicContact SD-CD2 4.03Å; M87-F99 HydrophobicContact SD-CE2 3.57Å; M87-F99 VanDerWaalsContact SD-CE2 3.57Å; M87-L172 HydrophobicContact CE-CD1 4.1Å; M87-L172 HydrophobicContact CG-CD1 3.65Å; M87-L172 HydrophobicContact CG-CD2 3.87Å; M87-L172 HydrophobicContact CG-CG 4.44Å; M87-L176 HydrophobicContact CE-CD1 4.38Å; M87-L176 HydrophobicContact CE-CD2 4.31Å
88L93Very high91Very high37 Ų3730.8 Ų30.819%0.19417%0.172CC..Hα-helixtrans-65-39.3177.4-179.162.8000111.8Y59 M60 G84 Q85 L86 K91Y59-L88 HydrophobicContact CD1-CD1 4.17Å; Y59-L88 HydrophobicContact CE1-CD1 3.62Å; Y59-L88 HydrophobicContact CE1-CD2 3.94Å; Y59-L88 HydrophobicContact CE1-CG 4.46Å; M60-L88 HydrophobicContact CE-CB 4.27Å; M60-L88 HydrophobicContact CG-CD1 4.41Å; G84-L88 WeakPolarHBondContact O-CB 3.43Å; G84-L88 PolarHBondContact O-N 3.49Å; Q85-L88 PolarHBondContact O-N 3.23Å; L86-L88 VanDerWaalsContact C-N 3.33Å; L86-L88 PolarHBondContact O-N 3.3Å; L88-K91 HydrophobicContact CD1-CD 4.33Å; L88-K91 WeakPolarHBondContact O-CG 3.28Å
89Q91.7Very high92.2Very high85 Ų8530 Ų3040%0.39717%0.166SC..Hα-helixtrans-69.6-52178.2-73.8168.3-26.700111.2Q85 L86 M87 K91 L165Q85-Q89 WeakPolarHBondContact O-CG 3.46Å; Q85-Q89 PolarHBondContact O-N 2.92Å; L86-Q89 PolarHBondContact O-N 3.02Å; M87-Q89 VanDerWaalsContact C-N 3.34Å; Q89-K91 VanDerWaalsContact C-N 3.26Å; Q89-K91 PolarHBondContact O-N 3.45Å; Q89-L165 WeakPolarHBondContact O-CD2 3.41Å
90S92.7Very high92.8Very high0 Ų027.3 Ų27.30%015%0.147CC..Hα-helixtrans-74.2-12-173.166.90000114.3L86 F92 A93 L172L86-S90 WeakPolarHBondContact O-CB 3.26Å; L86-S90 PolarHBondContact O-N 2.86Å; L86-S90 PolarHBondContact O-OG 2.9Å; S90-F92 PolarHBondContact O-N 3.39Å; S90-A93 WeakPolarHBondContact O-CB 3.3Å; S90-A93 PolarHBondContact O-N 2.98Å; S90-L172 WeakPolarHBondContact OG-CD2 3.39Å
91K92.9Very high93.1Very high22 Ų2225.5 Ų25.510%0.09614%0.138CC..G310 helixtrans-52.3-34.5-172.576-179.2-169.51720114.8Y59 M60 M87 L88 Q89 A93 R94 T97 F99Y59-K91 PolarHBondContact O-NZ 3.48Å; M60-K91 WeakPolarHBondContact O-CD 3.21Å; M60-K91 PolarHBondContact O-NZ 2.94Å; M60-K91 VanDerWaalsContact O-NZ 3.12Å; M87-K91 WeakPolarHBondContact O-CB 3.5Å; M87-K91 PolarHBondContact O-N 3.47Å; L88-K91 HydrophobicContact CD1-CD 4.33Å; L88-K91 WeakPolarHBondContact O-CG 3.28Å; Q89-K91 VanDerWaalsContact C-N 3.26Å; Q89-K91 PolarHBondContact O-N 3.45Å; K91-A93 PolarHBondContact O-N 2.9Å; K91-R94 PolarHBondContact O-N 3.49Å; K91-T97 HydrophobicContact CD-CG2 4.33Å; K91-T97 HydrophobicContact CG-CG2 4.19Å; K91-T97 VanDerWaalsContact O-CA 3.31Å; K91-T97 WeakPolarHBondContact O-CA 3.43Å; K91-F99 HydrophobicContact CB-CB 4.05Å; K91-F99 HydrophobicContact CB-CD1 4.1Å
92F90.4Very high93.4Very high46 Ų4622 Ų2220%0.20211%0.108CC..G310 helixtrans-76.7-8.9-178.2-65.2-72.7000114S90 R94 T97 S118 F123 L165S90-F92 PolarHBondContact O-N 3.39Å; F92-R94 PolarHBondContact O-N 3.5Å; F92-T97 HydrophobicContact CD1-CG2 3.73Å; F92-T97 HydrophobicContact CE1-CG2 3.78Å; F92-S118 PolarHBondContact O-OG 3.43Å; F92-F123 HydrophobicContact CB-CD2 4Å; F92-F123 HydrophobicContact CB-CE2 3.9Å; F92-F123 HydrophobicContact CG-CE2 4.46Å; F92-L165 HydrophobicContact CB-CD1 3.77Å; F92-L165 HydrophobicContact CB-CD2 4.44Å
93A91.9Very high93.6Very high0 Ų017.8 Ų17.80%09%0.086CC..G310 helixtrans-69.7-19169.800000112.5S90 K91 L117 S118 L165 R166 D169S90-A93 WeakPolarHBondContact O-CB 3.3Å; S90-A93 PolarHBondContact O-N 2.98Å; K91-A93 PolarHBondContact O-N 2.9Å; A93-L117 CarbonylContact O-C 3.59Å; A93-L117 VanDerWaalsContact O-CA 3.28Å; A93-L117 WeakPolarHBondContact O-CA 3.14Å; A93-S118 PolarHBondContact O-N 3.03Å; A93-L165 HydrophobicContact CB-CB 4.2Å; A93-L165 WeakPolarHBondContact CB-O 3.48Å; A93-R166 HydrophobicContact CB-CG 4.1Å; A93-D169 HydrophobicContact CB-CB 3.88Å
94R93Very high93.7Very high0 Ų017.9 Ų17.90%09%0.087CC..BIsolated β-bridgetrans-119139.1-170.1-63.7-86.6177.4-174.8-10.2110.7K91 F92 R96 T97 C114 S115 T116 S118 D169 E201K91-R94 PolarHBondContact O-N 3.49Å; F92-R94 PolarHBondContact O-N 3.5Å; R94-R96 PolarHBondContact O-N 3.28Å; R94-T97 PolarHBondContact O-N 3.42Å; R94-T97 VanDerWaalsContact O-N 3.12Å; R94-C114 PolarHBondContact NH1-SG 3.01Å; R94-S115 WeakPolarHBondContact CD-O 3.4Å; R94-S115 PolarHBondContact NH1-O 3.21Å; R94-T116 WeakPolarHBondContact CA-O 3.47Å; R94-S118 PolarHBondContact O-OG 3.35Å; R94-S118 VanDerWaalsContact O-OG 3.11Å; R94-D169 WeakPolarHBondContact CG-OD1 3.44Å; R94-D169 IonicContact CZ-OD1 2.84Å; R94-D169 IonicContact CZ-OD2 3.22Å; R94-D169 IonicContact NE-OD1 3.06Å; R94-D169 PolarHBondContact NE-OD1 3.28Å; R94-D169 IonicContact NE-OD2 3.27Å; R94-D169 PolarHBondContact NE-OD2 2.97Å; R94-D169 VanDerWaalsContact NE-OD2 3.14Å; R94-D169 IonicContact NH2-OD1 3.32Å; R94-D169 IonicContact NH2-OD2 3.55Å; R94-D169 PolarHBondContact NH2-OD2 3.18Å; R94-E201 IonicContact CZ-OE1 2.75Å; R94-E201 VanDerWaalsContact CZ-OE1 3.22Å; R94-E201 IonicContact NH1-OE1 2.99Å; R94-E201 PolarHBondContact NH1-OE1 2.88Å; R94-E201 IonicContact NH2-OE1 2.61Å; R94-E201 PolarHBondContact NH2-OE1 2.98Å
95C90.8Very high93.7Very high4 Ų418 Ų183%0.0279%0.086CC..G310 helixtrans-54.3142.3-179.3-73.80000111.3T97 R98 S115 T116 S118 E122 S198C95-T97 PolarHBondContact O-N 3.4Å; C95-T97 VanDerWaalsContact O-N 3.15Å; C95-R98 PolarHBondContact O-N 2.9Å; C95-S115 PolarHBondContact N-OG 3.17Å; C95-S115 VanDerWaalsContact N-OG 3.13Å; C95-S115 WeakPolarHBondContact O-CB 3.47Å; C95-S115 PolarHBondContact O-OG 3.11Å; C95-T116 PolarHBondContact N-O 2.94Å; C95-S118 WeakPolarHBondContact CA-OG 3.43Å; C95-S118 PolarHBondContact N-OG 3.11Å; C95-S118 VanDerWaalsContact N-OG 3.1Å; C95-E122 WeakPolarHBondContact CA-OE1 3.36Å; C95-S198 WeakPolarHBondContact SG-CB 3.34Å
96R88.5Confident93.7Very high42 Ų4214 Ų1416%0.1587%0.067CC..G310 helixtrans61.720.3178.6-58.1-175.7178.788-13.6114.8R94 R98 E122 R126 D137 S303 W305R94-R96 PolarHBondContact O-N 3.28Å; R96-R98 HydrophobicContact CB-CG 3.99Å; R96-R98 PolarHBondContact O-N 3.41Å; R96-E122 PolarHBondContact N-OE1 2.87Å; R96-R126 VanDerWaalsContact N-NH2 3.18Å; R96-D137 IonicContact NE-OD1 3.13Å; R96-D137 PolarHBondContact NE-OD1 2.89Å; R96-S303 VanDerWaalsContact CZ-OG 3.22Å; R96-S303 PolarHBondContact NH1-OG 2.92Å; R96-S303 PolarHBondContact NH2-OG 3.2Å; R96-W305 VanDerWaalsContact CZ-CH2 3.42Å; R96-W305 VanDerWaalsContact NE-CZ3 3.33Å
97T91.3Very high93.4Very high17 Ų1718.3 Ų18.310%0.1049%0.085CC..G310 helixtrans52.624.9-173.9610000113K91 F92 R94 C95 F99K91-T97 HydrophobicContact CD-CG2 4.33Å; K91-T97 HydrophobicContact CG-CG2 4.19Å; K91-T97 VanDerWaalsContact O-CA 3.31Å; K91-T97 WeakPolarHBondContact O-CA 3.43Å; F92-T97 HydrophobicContact CD1-CG2 3.73Å; F92-T97 HydrophobicContact CE1-CG2 3.78Å; R94-T97 PolarHBondContact O-N 3.42Å; R94-T97 VanDerWaalsContact O-N 3.12Å; C95-T97 PolarHBondContact O-N 3.4Å; C95-T97 VanDerWaalsContact O-N 3.15Å; T97-F99 WeakPolarHBondContact O-CD1 3.45Å; T97-F99 PolarHBondContact O-N 3.46Å
98R95.1Very high93.1Very high0 Ų021.7 Ų21.70%010%0.101CC..  trans-83.372.8-178.7-72.5176.974.6108.6-0.7109Y64 C95 R96 C114 S115 S303 G304 F346Y64-R98 HydrophobicContact CE1-CB 4.09Å; Y64-R98 HydrophobicContact CE1-CG 3.89Å; Y64-R98 WeakPolarHBondContact OH-CB 3.49Å; C95-R98 PolarHBondContact O-N 2.9Å; R96-R98 HydrophobicContact CB-CG 3.99Å; R96-R98 PolarHBondContact O-N 3.41Å; R98-C114 WeakPolarHBondContact O-CB 3.42Å; R98-S115 PolarHBondContact O-N 3.47Å; R98-S115 PolarHBondContact O-OG 3.2Å; R98-S303 WeakPolarHBondContact CD-O 3.25Å; R98-S303 PolarHBondContact NE-O 2.79Å; R98-G304 PolarHBondContact NH2-O 3.44Å; R98-F346 PolarHBondContact NH1-O 3.16Å; R98-F346 PolarHBondContact NH2-O 2.86Å
99F95.8Very high93.1Very high0 Ų021.1 Ų21.10%010%0.097CC..  trans-56.3159.5177.461.3-93.8000112.1M60 C61 Y64 I68 M87 K91 T97 V101M60-F99 HydrophobicContact CB-CE1 3.69Å; M60-F99 HydrophobicContact CB-CZ 4.17Å; M60-F99 HydrophobicContact CE-CE1 4.29Å; M60-F99 HydrophobicContact CE-CE2 4.49Å; M60-F99 HydrophobicContact CE-CZ 3.98Å; C61-F99 HydrophobicContact CB-CD1 4.08Å; C61-F99 HydrophobicContact CB-CE1 3.68Å; Y64-F99 HydrophobicContact CD2-CD1 4.26Å; Y64-F99 AromaticContact CD2-CE1 3.68Å; Y64-F99 HydrophobicContact CD2-CE1 3.68Å; Y64-F99 HydrophobicContact CD2-CE2 4.21Å; Y64-F99 AromaticContact CD2-CZ 3.66Å; Y64-F99 HydrophobicContact CD2-CZ 3.66Å; Y64-F99 HydrophobicContact CE2-CD1 4.01Å; Y64-F99 HydrophobicContact CE2-CD2 4.19Å; Y64-F99 AromaticContact CE2-CE1 3.88Å; Y64-F99 HydrophobicContact CE2-CE1 3.88Å; Y64-F99 HydrophobicContact CE2-CE2 4.07Å; Y64-F99 HydrophobicContact CE2-CG 4.16Å; Y64-F99 AromaticContact CE2-CZ 3.92Å; Y64-F99 HydrophobicContact CE2-CZ 3.92Å; Y64-F99 WeakPolarHBondContact CE2-O 3.21Å; Y64-F99 PolarHBondContact OH-O 3.31Å; I68-F99 HydrophobicContact CD1-CZ 4.12Å; M87-F99 HydrophobicContact CB-CD2 3.74Å; M87-F99 HydrophobicContact CB-CE2 3.85Å; M87-F99 HydrophobicContact CB-CG 4.29Å; M87-F99 HydrophobicContact CB-CZ 4.47Å; M87-F99 HydrophobicContact CE-CE2 4.49Å; M87-F99 HydrophobicContact CG-CD2 3.74Å; M87-F99 HydrophobicContact CG-CE2 3.86Å; M87-F99 HydrophobicContact SD-CD2 4.03Å; M87-F99 HydrophobicContact SD-CE2 3.57Å; M87-F99 VanDerWaalsContact SD-CE2 3.57Å; K91-F99 HydrophobicContact CB-CB 4.05Å; K91-F99 HydrophobicContact CB-CD1 4.1Å; T97-F99 WeakPolarHBondContact O-CD1 3.45Å; T97-F99 PolarHBondContact O-N 3.46Å; F99-V101 HydrophobicContact CD2-CB 4.26Å; F99-V101 HydrophobicContact CE2-CB 3.97Å; F99-V101 HydrophobicContact CE2-CG2 4.28Å; F99-V101 PolarHBondContact O-N 3.06Å
100V97.7Very high93.3Very high0 Ų017.1 Ų17.10%08%0.079CC..  trans-67.2124.7179.2-176.10000111.1C112 C114 L172 I173 L176 L298V100-C112 HydrophobicContact CG1-CB 3.79Å; V100-C114 HydrophobicContact CB-CB 4.45Å; V100-C114 HydrophobicContact CG2-CB 3.91Å; V100-L172 HydrophobicContact CB-CD2 4.02Å; V100-L172 HydrophobicContact CB-CG 4.38Å; V100-I173 HydrophobicContact CB-CG1 4.41Å; V100-I173 HydrophobicContact CG1-CG1 4.37Å; V100-I173 HydrophobicContact CG2-CD1 4.25Å; V100-I173 HydrophobicContact CG2-CG1 3.88Å; V100-L176 HydrophobicContact CB-CD1 4.29Å; V100-L176 HydrophobicContact CG1-CD1 3.69Å; V100-L298 HydrophobicContact CB-CD1 4.48Å; V100-L298 HydrophobicContact CG1-CD1 3.61Å; V100-L298 HydrophobicContact CG1-CD2 4.23Å; V100-L298 HydrophobicContact CG2-CD1 4.22Å; V100-L298 HydrophobicContact CG2-CD2 3.85Å
101V97Very high93.5Very high0 Ų017.1 Ų17.10%08%0.079CC..EExtended strand (participates in β ladder)trans-140.5138.9-179.564.70000111.4Y64 I68 I70 F99 C112 R113 F346Y64-V101 HydrophobicContact CD2-CG1 4.26Å; Y64-V101 HydrophobicContact CE2-CB 4.32Å; Y64-V101 HydrophobicContact CE2-CG1 3.63Å; I68-V101 HydrophobicContact CG2-CG2 3.55Å; I70-V101 HydrophobicContact CD1-CG2 3.97Å; F99-V101 HydrophobicContact CD2-CB 4.26Å; F99-V101 HydrophobicContact CE2-CB 3.97Å; F99-V101 HydrophobicContact CE2-CG2 4.28Å; F99-V101 PolarHBondContact O-N 3.06Å; V101-C112 CarbonylContact O-C 3.6Å; V101-C112 VanDerWaalsContact O-CA 3.24Å; V101-C112 WeakPolarHBondContact O-CA 3.4Å; V101-R113 HydrophobicContact CG1-CG 3.92Å; V101-R113 PolarHBondContact N-O 3.27Å; V101-R113 VanDerWaalsContact N-O 3.14Å; V101-R113 PolarHBondContact O-N 2.88Å; V101-F346 HydrophobicContact CG1-CE1 3.65Å; V101-F346 HydrophobicContact CG1-CZ 4.33Å
102P96.1Very high93.8Very high1 Ų116.1 Ų16.11%0.0067%0.074CC..EExtended strand (participates in β ladder)trans-61137.9171.6-23.635.6000112.1P71 L176P71-P102 HydrophobicContact CG-CB 4.11Å; P102-L176 HydrophobicContact CG-CD1 4.47Å; P102-L176 HydrophobicContact CG-CD2 3.65Å
103S96.4Very high94.2Very high2 Ų213.9 Ų13.91%0.0146%0.064CC..EExtended strand (participates in β ladder)trans-95.3-37.9169.6-44.20000111I111 R113 R316S103-I111 WeakPolarHBondContact CB-O 3.33Å; S103-I111 PolarHBondContact N-O 3.11Å; S103-I111 PolarHBondContact OG-O 3.34Å; S103-R113 WeakPolarHBondContact OG-CD 3.13Å; S103-R113 WeakPolarHBondContact OG-CG 3.26Å; S103-R316 PolarHBondContact O-NH2 3.46Å
104F95.6Very high94.5Very high2 Ų214 Ų141%0.0097%0.065CC..EExtended strand (participates in β ladder)trans-166.5174.9172.257.2-88.2000109.3I111 I312 L315 R316 L319 M325F104-I111 HydrophobicContact CD2-CB 4.3Å; F104-I111 HydrophobicContact CD2-CD1 3.57Å; F104-I111 HydrophobicContact CD2-CG1 4.1Å; F104-I111 HydrophobicContact CE1-CB 4.28Å; F104-I111 HydrophobicContact CE1-CG2 4.3Å; F104-I111 HydrophobicContact CE2-CB 4.03Å; F104-I111 HydrophobicContact CE2-CD1 3.4Å; F104-I111 HydrophobicContact CE2-CG1 3.57Å; F104-I111 HydrophobicContact CG-CD1 4.5Å; F104-I111 HydrophobicContact CZ-CB 4.04Å; F104-I111 HydrophobicContact CZ-CD1 4.22Å; F104-I111 HydrophobicContact CZ-CG1 3.88Å; F104-I111 HydrophobicContact CZ-CG2 4.17Å; F104-I111 PolarHBondContact O-N 3.04Å; F104-I312 HydrophobicContact CE1-CG2 4.06Å; F104-L315 HydrophobicContact CZ-CB 3.86Å; F104-R316 HydrophobicContact CD1-CB 4.45Å; F104-R316 HydrophobicContact CD1-CG 4.42Å; F104-R316 VanDerWaalsContact CD1-CZ 3.49Å; F104-R316 VanDerWaalsContact CD1-NH2 3.34Å; F104-R316 HydrophobicContact CE1-CB 3.84Å; F104-R316 HydrophobicContact CE1-CG 4.28Å; F104-R316 HydrophobicContact CZ-CB 4.07Å; F104-L319 HydrophobicContact CE2-CD1 3.62Å; F104-L319 HydrophobicContact CZ-CD1 4.31Å; F104-M325 HydrophobicContact CB-CE 4.38Å; F104-M325 HydrophobicContact CB-SD 4.25Å; F104-M325 HydrophobicContact CD2-CE 3.26Å; F104-M325 HydrophobicContact CD2-SD 3.52Å; F104-M325 VanDerWaalsContact CD2-SD 3.52Å; F104-M325 HydrophobicContact CE2-CE 3.49Å; F104-M325 VanDerWaalsContact CE2-CE 3.49Å; F104-M325 HydrophobicContact CE2-SD 4.2Å; F104-M325 HydrophobicContact CG-CE 3.86Å; F104-M325 HydrophobicContact CG-SD 4.2Å; F104-M325 HydrophobicContact CZ-CE 4.23Å
105S94.1Very high94.6Very high14 Ų1414 Ų1410%0.0987%0.065CC..EExtended strand (participates in β ladder)trans-129.7140.8177.4-163.90000110.2T73 K109 N110T73-S105 VanDerWaalsContact CG2-OG 3.26Å; T73-S105 WeakPolarHBondContact CG2-OG 3.29Å; S105-K109 WeakPolarHBondContact CA-O 3.07Å; S105-K109 PolarHBondContact OG-O 2.86Å; S105-N110 WeakPolarHBondContact CB-OD1 3.26Å; S105-N110 PolarHBondContact OG-OD1 3.14Å; S105-N110 VanDerWaalsContact OG-OD1 3.11Å
106F93Very high94.8Very high10 Ų1013.8 Ų13.84%0.0446%0.063CC..EExtended strand (participates in β ladder)trans-132.3128.7174.4171.5-102.3000109.3H108 K109 I111 L290 Y291 L319 L324 L379F106-H108 PolarHBondContact O-N 3.19Å; F106-K109 PolarHBondContact N-O 2.63Å; F106-K109 WeakPolarHBondContact O-CB 3.44Å; F106-K109 PolarHBondContact O-N 3.19Å; F106-I111 HydrophobicContact CB-CD1 4.19Å; F106-L290 HydrophobicContact CB-CD1 4.34Å; F106-L290 HydrophobicContact CB-CD2 4.11Å; F106-L290 HydrophobicContact CB-CG 4.43Å; F106-L290 HydrophobicContact CD1-CD1 4.21Å; F106-L290 HydrophobicContact CD1-CD2 3.85Å; F106-L290 HydrophobicContact CD1-CG 3.68Å; F106-L290 HydrophobicContact CE1-CG 4.42Å; F106-L290 HydrophobicContact CG-CD2 4.26Å; F106-L290 HydrophobicContact CG-CG 4.46Å; F106-Y291 HydrophobicContact CE1-CD2 4.31Å; F106-L319 HydrophobicContact CB-CD1 4.18Å; F106-L319 HydrophobicContact CD1-CD2 4.26Å; F106-L319 HydrophobicContact CD2-CD2 3.91Å; F106-L319 HydrophobicContact CE1-CD2 4.22Å; F106-L319 HydrophobicContact CE2-CD2 3.95Å; F106-L319 HydrophobicContact CG-CD1 4.28Å; F106-L319 HydrophobicContact CG-CD2 4.05Å; F106-L319 HydrophobicContact CZ-CD2 4.05Å; F106-L324 HydrophobicContact CE2-CB 3.86Å; F106-L324 HydrophobicContact CE2-CD1 4.47Å; F106-L324 HydrophobicContact CZ-CB 4.49Å; F106-L324 HydrophobicContact CZ-CD1 4.29Å; F106-L379 HydrophobicContact CE1-CD1 4.28Å; F106-L379 HydrophobicContact CZ-CD1 4.34Å
107K89Confident95Very high102 Ų10211.8 Ų11.844%0.4436%0.056SC..THydrogen-bonded Turntrans46.544.9-175.1-67.7-170.3172.8-167.40113.3K109 Y291K107-K109 PolarHBondContact O-N 3.3Å; K107-Y291 HydrophobicContact CD-CE2 4.43Å; K107-Y291 PolarHBondContact NZ-OH 3.42Å
108H89.2Confident94.9Very high71 Ų7111 Ų1133%0.3295%0.051SC..THydrogen-bonded Turntrans63.712.2-178-47.1-56.5000115.8R74 F106R74-H108 PolarHBondContact NE-NE2 3.43Å; F106-H108 PolarHBondContact O-N 3.19Å
109K93.8Very high94.4Very high26 Ų2611 Ų1111%0.1135%0.052CC..EExtended strand (participates in β ladder)trans-103123.7173.3-61.7174.5-168.8178.10108.5S105 F106 K107 I111 L290 Y291 G293S105-K109 WeakPolarHBondContact CA-O 3.07Å; S105-K109 PolarHBondContact OG-O 2.86Å; F106-K109 PolarHBondContact N-O 2.63Å; F106-K109 WeakPolarHBondContact O-CB 3.44Å; F106-K109 PolarHBondContact O-N 3.19Å; K107-K109 PolarHBondContact O-N 3.3Å; K109-I111 WeakPolarHBondContact O-CD1 3.48Å; K109-L290 HydrophobicContact CB-CD1 3.96Å; K109-L290 HydrophobicContact CD-CD1 4.45Å; K109-L290 WeakPolarHBondContact CD-O 3.37Å; K109-L290 WeakPolarHBondContact CE-O 3.4Å; K109-L290 PolarHBondContact NZ-O 2.86Å; K109-Y291 PolarHBondContact NZ-O 3.44Å; K109-G293 WeakPolarHBondContact CE-O 3.49Å; K109-G293 PolarHBondContact NZ-O 3.37Å
110N95.1Very high93.6Very high1 Ų113.9 Ų13.91%0.0057%0.07CC..EExtended strand (participates in β ladder)trans-78.9136.6179.5-67.7-39.1000110.7T73 S105 L176 G296 L297T73-N110 WeakPolarHBondContact CG2-OD1 3.45Å; S105-N110 WeakPolarHBondContact CB-OD1 3.26Å; S105-N110 PolarHBondContact OG-OD1 3.14Å; S105-N110 VanDerWaalsContact OG-OD1 3.11Å; N110-L176 WeakPolarHBondContact CB-O 3.48Å; N110-L176 PolarHBondContact ND2-O 2.88Å; N110-G296 CarbonylContact O-C 3.54Å; N110-G296 WeakPolarHBondContact O-CA 3.36Å; N110-L297 PolarHBondContact O-N 3.03Å
111I97.8Very high92.6Very high0 Ų018.3 Ų18.30%09%0.093CC..EExtended strand (participates in β ladder)trans-99.899165.8-58.172.4000105.8S103 F104 F106 K109 L290 L299 I312 L315S103-I111 WeakPolarHBondContact CB-O 3.33Å; S103-I111 PolarHBondContact N-O 3.11Å; S103-I111 PolarHBondContact OG-O 3.34Å; F104-I111 HydrophobicContact CD2-CB 4.3Å; F104-I111 HydrophobicContact CD2-CD1 3.57Å; F104-I111 HydrophobicContact CD2-CG1 4.1Å; F104-I111 HydrophobicContact CE1-CB 4.28Å; F104-I111 HydrophobicContact CE1-CG2 4.3Å; F104-I111 HydrophobicContact CE2-CB 4.03Å; F104-I111 HydrophobicContact CE2-CD1 3.4Å; F104-I111 HydrophobicContact CE2-CG1 3.57Å; F104-I111 HydrophobicContact CG-CD1 4.5Å; F104-I111 HydrophobicContact CZ-CB 4.04Å; F104-I111 HydrophobicContact CZ-CD1 4.22Å; F104-I111 HydrophobicContact CZ-CG1 3.88Å; F104-I111 HydrophobicContact CZ-CG2 4.17Å; F104-I111 PolarHBondContact O-N 3.04Å; F106-I111 HydrophobicContact CB-CD1 4.19Å; K109-I111 WeakPolarHBondContact O-CD1 3.48Å; I111-L290 HydrophobicContact CD1-CD1 3.57Å; I111-L290 HydrophobicContact CD1-CD2 3.99Å; I111-L290 HydrophobicContact CD1-CG 4.45Å; I111-L290 HydrophobicContact CG1-CD1 3.98Å; I111-L290 HydrophobicContact CG1-CD2 4.17Å; I111-L299 HydrophobicContact CG2-CD1 4.33Å; I111-L299 HydrophobicContact CG2-CG 4.44Å; I111-I312 HydrophobicContact CG2-CD1 3.44Å; I111-I312 VanDerWaalsContact CG2-CD1 3.44Å; I111-L315 HydrophobicContact CG2-CD1 4.1Å
112C98.4Very high91.8Very high0 Ų018.6 Ų18.60%010%0.095CC..EExtended strand (participates in β ladder)trans-92.8155.4-178.6-64.80000111.8V100 V101 V178 L297 L298 L299V100-C112 HydrophobicContact CG1-CB 3.79Å; V101-C112 CarbonylContact O-C 3.6Å; V101-C112 VanDerWaalsContact O-CA 3.24Å; V101-C112 WeakPolarHBondContact O-CA 3.4Å; C112-V178 HydrophobicContact CB-CG2 4.17Å; C112-L297 PolarHBondContact N-O 3.33Å; C112-L298 HydrophobicContact CB-CD1 3.74Å; C112-L299 PolarHBondContact O-N 3.18Å
113R98.4Very high90.8Very high0 Ų018.8 Ų18.80%010%0.096CC..EExtended strand (participates in β ladder)trans-130.6148.5175.364.9-173-65.4171.46110.6V101 S103 L299 T308 I312 D342 F346V101-R113 HydrophobicContact CG1-CG 3.92Å; V101-R113 PolarHBondContact N-O 3.27Å; V101-R113 VanDerWaalsContact N-O 3.14Å; V101-R113 PolarHBondContact O-N 2.88Å; S103-R113 WeakPolarHBondContact OG-CD 3.13Å; S103-R113 WeakPolarHBondContact OG-CG 3.26Å; R113-L299 WeakPolarHBondContact CA-O 3.44Å; R113-T308 HydrophobicContact CB-CG2 3.73Å; R113-I312 HydrophobicContact CB-CD1 4.4Å; R113-I312 HydrophobicContact CB-CG1 4.43Å; R113-D342 PolarHBondContact NH1-O 2.76Å; R113-D342 PolarHBondContact NH2-O 2.96Å; R113-F346 HydrophobicContact CG-CD1 4.33Å; R113-F346 HydrophobicContact CG-CE1 4.19Å; R113-F346 VanDerWaalsContact NH1-CB 3.33Å
114C97.6Very high89.8Confident1 Ų121.7 Ų21.71%0.00711%0.107CC..EExtended strand (participates in β ladder)trans-161.7-175172.566.50000111.6R94 R98 V100 L298 L299 H300 G304R94-C114 PolarHBondContact NH1-SG 3.01Å; R98-C114 WeakPolarHBondContact O-CB 3.42Å; V100-C114 HydrophobicContact CB-CB 4.45Å; V100-C114 HydrophobicContact CG2-CB 3.91Å; C114-L298 HydrophobicContact CB-CD1 4.13Å; C114-L298 WeakPolarHBondContact SG-CD1 3.26Å; C114-L299 PolarHBondContact N-O 3.44Å; C114-H300 WeakPolarHBondContact O-CB 3.4Å; C114-H300 VanDerWaalsContact SG-CB 3.52Å; C114-G304 VanDerWaalsContact O-CA 3.25Å; C114-G304 WeakPolarHBondContact O-CA 3.17Å
115S95.5Very high88.8Confident0 Ų022.7 Ų22.70%012%0.117CC..EExtended strand (participates in β ladder)trans-93.1173.4160.6620000111.3R94 C95 R98 V302R94-S115 WeakPolarHBondContact CD-O 3.4Å; R94-S115 PolarHBondContact NH1-O 3.21Å; C95-S115 PolarHBondContact N-OG 3.17Å; C95-S115 VanDerWaalsContact N-OG 3.13Å; C95-S115 WeakPolarHBondContact O-CB 3.47Å; C95-S115 PolarHBondContact O-OG 3.11Å; R98-S115 PolarHBondContact O-N 3.47Å; R98-S115 PolarHBondContact O-OG 3.2Å; S115-V302 WeakPolarHBondContact CB-O 3.49Å
116T94.8Very high87.7Confident0 Ų022.9 Ų22.90%012%0.116CC..  trans-70.8175.5170.1-164.90000112R94 C95 M185 S198 S199 C301 V302R94-T116 WeakPolarHBondContact CA-O 3.47Å; C95-T116 PolarHBondContact N-O 2.94Å; T116-M185 WeakPolarHBondContact CB-SD 3.37Å; T116-M185 HydrophobicContact CG2-CE 4.23Å; T116-M185 HydrophobicContact CG2-SD 3.65Å; T116-M185 PolarHBondContact OG1-SD 3.15Å; T116-M185 VanDerWaalsContact OG1-SD 3.33Å; T116-S198 WeakPolarHBondContact CG2-OG 3.47Å; T116-S199 PolarHBondContact OG1-O 3.42Å; T116-S199 VanDerWaalsContact OG1-O 3.05Å; T116-C301 PolarHBondContact N-O 3.22Å; T116-C301 VanDerWaalsContact N-O 3.07Å; T116-V302 PolarHBondContact N-O 3.26Å
117L93.5Very high86.6Confident0 Ų026.7 Ų26.70%013%0.134CC..EExtended strand (participates in β ladder)trans-70141.8-178.7-47.3172.7000111.8A93 S198 S199 E201 Y209A93-L117 CarbonylContact O-C 3.59Å; A93-L117 VanDerWaalsContact O-CA 3.28Å; A93-L117 WeakPolarHBondContact O-CA 3.14Å; L117-S198 CarbonylContact O-C 3.52Å; L117-S198 VanDerWaalsContact O-CA 3.3Å; L117-S198 WeakPolarHBondContact O-CA 3.47Å; L117-S198 WeakPolarHBondContact O-CB 3.37Å; L117-S199 WeakPolarHBondContact CA-O 3.48Å; L117-S199 WeakPolarHBondContact CB-O 3.16Å; L117-S199 PolarHBondContact N-O 3.42Å; L117-S199 PolarHBondContact O-N 3.06Å; L117-E201 HydrophobicContact CD1-CG 4.16Å; L117-E201 HydrophobicContact CG-CG 4.29Å; L117-Y209 HydrophobicContact CD1-CD2 4.44Å; L117-Y209 HydrophobicContact CD1-CE2 3.59Å; L117-Y209 HydrophobicContact CD2-CE1 4.4Å; L117-Y209 HydrophobicContact CD2-CE2 4.4Å; L117-Y209 WeakPolarHBondContact CD2-OH 3.07Å
118S89Confident85.4Confident0 Ų024.8 Ų24.80%013%0.131CC..EExtended strand (participates in β ladder)trans-62.8132.4170.1-73.50000111.2F92 A93 R94 C95 E122 R166F92-S118 PolarHBondContact O-OG 3.43Å; A93-S118 PolarHBondContact O-N 3.03Å; R94-S118 PolarHBondContact O-OG 3.35Å; R94-S118 VanDerWaalsContact O-OG 3.11Å; C95-S118 WeakPolarHBondContact CA-OG 3.43Å; C95-S118 PolarHBondContact N-OG 3.11Å; C95-S118 VanDerWaalsContact N-OG 3.1Å; S118-E122 WeakPolarHBondContact CB-OE2 3.47Å; S118-E122 PolarHBondContact OG-OE2 2.88Å; S118-R166 PolarHBondContact O-NH2 3.35Å
119G84.8Confident84.1Confident2 Ų222.2 Ų22.22%0.02112%0.121CC..PPolyproline II helixtrans-76.8158.4165.200000110.4L121 E122 F123 I197G119-L121 VanDerWaalsContact C-N 3.27Å; G119-L121 PolarHBondContact O-N 3.04Å; G119-E122 PolarHBondContact O-N 2.98Å; G119-E122 VanDerWaalsContact O-N 3.09Å; G119-F123 PolarHBondContact O-N 3.36Å; G119-I197 PolarHBondContact N-O 2.89Å
120P78.6Confident82.5Confident60 Ų6025.2 Ų25.239%0.3914%0.142SC..Hα-helixtrans-53.7-42.1-179.4-26.534.1000113.1E122 F123 Y124 L162P120-E122 PolarHBondContact O-N 3.42Å; P120-F123 PolarHBondContact O-N 3.2Å; P120-Y124 HydrophobicContact CB-CD2 4.18Å; P120-Y124 HydrophobicContact CB-CE2 3.8Å; P120-Y124 WeakPolarHBondContact O-CD2 3.48Å; P120-Y124 VanDerWaalsContact O-CG 3.3Å; P120-Y124 PolarHBondContact O-N 3.18Å; P120-L162 HydrophobicContact CG-CD2 4.28Å
121L76.3Confident80.3Confident92 Ų9228.4 Ų28.448%0.48217%0.169SC..Hα-helixtrans-67.3-38.8-179.9-16777.1000112.5G119 F123 Y124 G125 V195G119-L121 VanDerWaalsContact C-N 3.27Å; G119-L121 PolarHBondContact O-N 3.04Å; L121-F123 VanDerWaalsContact C-N 3.31Å; L121-Y124 PolarHBondContact O-N 2.89Å; L121-G125 WeakPolarHBondContact O-CA 3.3Å; L121-G125 PolarHBondContact O-N 3.49Å; L121-V195 HydrophobicContact CB-CG1 3.9Å; L121-V195 HydrophobicContact CD2-CB 3.93Å; L121-V195 HydrophobicContact CD2-CG1 3.24Å; L121-V195 HydrophobicContact CD2-CG2 4.11Å; L121-V195 HydrophobicContact CG-CG1 4.1Å
122E80.2Confident77.5Confident7 Ų729.7 Ų29.73%0.03318%0.179CC..Hα-helixtrans-66-40.2178-170-97.6-170.300110.8C95 R96 S118 G119 P120 R126 F136 I197C95-E122 WeakPolarHBondContact CA-OE1 3.36Å; R96-E122 PolarHBondContact N-OE1 2.87Å; S118-E122 WeakPolarHBondContact CB-OE2 3.47Å; S118-E122 PolarHBondContact OG-OE2 2.88Å; G119-E122 PolarHBondContact O-N 2.98Å; G119-E122 VanDerWaalsContact O-N 3.09Å; P120-E122 PolarHBondContact O-N 3.42Å; E122-R126 VanDerWaalsContact CD-NE 3.26Å; E122-R126 WeakPolarHBondContact O-CB 3.43Å; E122-R126 WeakPolarHBondContact O-CG 3.45Å; E122-R126 PolarHBondContact O-N 3.46Å; E122-R126 IonicContact OE1-CZ 2.68Å; E122-R126 IonicContact OE1-NE 3.59Å; E122-R126 PolarHBondContact OE1-NE 3.4Å; E122-R126 IonicContact OE1-NH2 3.96Å; E122-R126 PolarHBondContact OE1-NH2 3.01Å; E122-R126 IonicContact OE2-NE 2.8Å; E122-F136 HydrophobicContact CG-CD1 4.47Å; E122-F136 HydrophobicContact CG-CE1 3.74Å; E122-F136 HydrophobicContact CG-CZ 4.14Å; E122-I197 HydrophobicContact CB-CB 4.36Å; E122-I197 WeakPolarHBondContact CB-O 3.37Å
123F76.5Confident74.7Confident5 Ų530.8 Ų30.82%0.02219%0.191CC..Hα-helixtrans-60.7-54.4172.9172.6-110.3000112.2F92 G119 P120 L121 G125 R126 Q127 S161 L162 L165F92-F123 HydrophobicContact CB-CD2 4Å; F92-F123 HydrophobicContact CB-CE2 3.9Å; F92-F123 HydrophobicContact CG-CE2 4.46Å; G119-F123 PolarHBondContact O-N 3.36Å; P120-F123 PolarHBondContact O-N 3.2Å; L121-F123 VanDerWaalsContact C-N 3.31Å; F123-G125 PolarHBondContact O-N 3.38Å; F123-R126 WeakPolarHBondContact O-CB 3.42Å; F123-R126 PolarHBondContact O-N 2.87Å; F123-Q127 HydrophobicContact CD2-CG 4.44Å; F123-Q127 HydrophobicContact CE1-CG 4.32Å; F123-Q127 HydrophobicContact CE2-CG 4.05Å; F123-Q127 HydrophobicContact CZ-CG 3.99Å; F123-Q127 WeakPolarHBondContact O-CG 3.5Å; F123-Q127 PolarHBondContact O-N 3.08Å; F123-S161 WeakPolarHBondContact CE1-OG 3.47Å; F123-S161 WeakPolarHBondContact CZ-OG 3.22Å; F123-L162 HydrophobicContact CB-CD1 4.29Å; F123-L162 HydrophobicContact CD1-CB 4.37Å; F123-L162 HydrophobicContact CD1-CD1 4.46Å; F123-L162 HydrophobicContact CD2-CD1 4.27Å; F123-L162 HydrophobicContact CE1-CB 4.43Å; F123-L162 HydrophobicContact CG-CD1 4.08Å; F123-L165 HydrophobicContact CD2-CD1 4.31Å; F123-L165 HydrophobicContact CE2-CD1 3.54Å; F123-L165 HydrophobicContact CZ-CD1 3.92Å
124Y74.1Confident71.7Confident63 Ų6335.6 Ų35.625%0.24721%0.212CC..Hα-helixtrans-66.4-39.7-179.3-63.8-52.1000112.6P120 L121 R126 Q127 V128 G158 R159P120-Y124 HydrophobicContact CB-CD2 4.18Å; P120-Y124 HydrophobicContact CB-CE2 3.8Å; P120-Y124 WeakPolarHBondContact O-CD2 3.48Å; P120-Y124 VanDerWaalsContact O-CG 3.3Å; P120-Y124 PolarHBondContact O-N 3.18Å; L121-Y124 PolarHBondContact O-N 2.89Å; Y124-R126 VanDerWaalsContact C-N 3.27Å; Y124-R126 PolarHBondContact O-N 2.74Å; Y124-Q127 WeakPolarHBondContact O-CB 3.42Å; Y124-Q127 PolarHBondContact O-N 3.05Å; Y124-V128 WeakPolarHBondContact O-CG2 3.28Å; Y124-V128 PolarHBondContact O-N 3.34Å; Y124-G158 WeakPolarHBondContact OH-CA 3.49Å; Y124-G158 PolarHBondContact OH-O 3.04Å; Y124-R159 PolarHBondContact OH-N 3.44Å
125G74.4Confident69.2Low22 Ų2237.7 Ų37.723%0.22722%0.224CC..Hα-helixtrans-60.5-37.7175.400000111.9L121 F123 A129L121-G125 WeakPolarHBondContact O-CA 3.3Å; L121-G125 PolarHBondContact O-N 3.49Å; F123-G125 PolarHBondContact O-N 3.38Å; G125-A129 VanDerWaalsContact O-CB 3.29Å; G125-A129 WeakPolarHBondContact O-CB 3.44Å; G125-A129 PolarHBondContact O-N 3.27Å
126R72.8Confident66.8Low18 Ų1841.7 Ų41.77%0.06824%0.242CC..Hα-helixtrans-66.3-47.2171.3-80.2-177.2-167.9-75.7-27.3112.4R96 E122 F123 Y124 V128 A129 T130 F136 D137R96-R126 VanDerWaalsContact N-NH2 3.18Å; E122-R126 VanDerWaalsContact CD-NE 3.26Å; E122-R126 WeakPolarHBondContact O-CB 3.43Å; E122-R126 WeakPolarHBondContact O-CG 3.45Å; E122-R126 PolarHBondContact O-N 3.46Å; E122-R126 IonicContact OE1-CZ 2.68Å; E122-R126 IonicContact OE1-NE 3.59Å; E122-R126 PolarHBondContact OE1-NE 3.4Å; E122-R126 IonicContact OE1-NH2 3.96Å; E122-R126 PolarHBondContact OE1-NH2 3.01Å; E122-R126 IonicContact OE2-NE 2.8Å; F123-R126 WeakPolarHBondContact O-CB 3.42Å; F123-R126 PolarHBondContact O-N 2.87Å; Y124-R126 VanDerWaalsContact C-N 3.27Å; Y124-R126 PolarHBondContact O-N 2.74Å; R126-V128 VanDerWaalsContact C-N 3.26Å; R126-V128 PolarHBondContact O-N 3.32Å; R126-A129 PolarHBondContact O-N 2.63Å; R126-A129 VanDerWaalsContact O-N 3.16Å; R126-T130 WeakPolarHBondContact O-CB 3.38Å; R126-T130 PolarHBondContact O-N 3.32Å; R126-T130 PolarHBondContact O-OG1 2.9Å; R126-T130 VanDerWaalsContact O-OG1 3.08Å; R126-F136 HydrophobicContact CB-CB 4.49Å; R126-F136 HydrophobicContact CG-CB 3.55Å; R126-F136 HydrophobicContact CG-CD1 4Å; R126-F136 HydrophobicContact CG-CD2 4.1Å; R126-F136 HydrophobicContact CG-CG 3.62Å; R126-D137 IonicContact CZ-OD2 3.37Å; R126-D137 IonicContact NH1-OD2 2.91Å; R126-D137 PolarHBondContact NH1-OD2 3.23Å; R126-D137 IonicContact NH2-OD1 3.46Å; R126-D137 IonicContact NH2-OD2 3.85Å
127Q68.7Low64.5Low90 Ų9044.8 Ų44.842%0.42126%0.259SS..Hα-helixtrans-55.3-45.6178.6-69.3-82.98700110.7F123 Y124 A131F123-Q127 HydrophobicContact CD2-CG 4.44Å; F123-Q127 HydrophobicContact CE1-CG 4.32Å; F123-Q127 HydrophobicContact CE2-CG 4.05Å; F123-Q127 HydrophobicContact CZ-CG 3.99Å; F123-Q127 WeakPolarHBondContact O-CG 3.5Å; F123-Q127 PolarHBondContact O-N 3.08Å; Y124-Q127 WeakPolarHBondContact O-CB 3.42Å; Y124-Q127 PolarHBondContact O-N 3.05Å; Q127-A131 VanDerWaalsContact O-CB 3.26Å; Q127-A131 WeakPolarHBondContact O-CB 3.32Å; Q127-A131 PolarHBondContact O-N 3.35Å
128V63.8Low61.7Low63 Ų6348 Ų4838%0.38229%0.291SS..Hα-helixtrans-65-47.3176.2174.60000111.4Y124 R126 T130 A131 A132Y124-V128 WeakPolarHBondContact O-CG2 3.28Å; Y124-V128 PolarHBondContact O-N 3.34Å; R126-V128 VanDerWaalsContact C-N 3.26Å; R126-V128 PolarHBondContact O-N 3.32Å; V128-T130 PolarHBondContact O-N 3.39Å; V128-A131 PolarHBondContact O-N 2.89Å; V128-A132 VanDerWaalsContact O-CB 3.27Å; V128-A132 WeakPolarHBondContact O-CB 3.46Å; V128-A132 PolarHBondContact O-N 3Å
129A61.6Low59.1Low16 Ų1653.5 Ų53.513%0.13232%0.317CS..Hα-helixtrans-59.4-48.6178.600000111.2G125 R126 A131 A132 G133 F134 F136G125-A129 VanDerWaalsContact O-CB 3.29Å; G125-A129 WeakPolarHBondContact O-CB 3.44Å; G125-A129 PolarHBondContact O-N 3.27Å; R126-A129 PolarHBondContact O-N 2.63Å; R126-A129 VanDerWaalsContact O-N 3.16Å; A129-A131 PolarHBondContact O-N 2.83Å; A129-A132 CarbonylContact O-C 3.42Å; A129-A132 PolarHBondContact O-N 3.39Å; A129-A132 VanDerWaalsContact O-N 3.16Å; A129-G133 PolarHBondContact O-N 3.28Å; A129-F134 CarbonylContact C-O 3.26Å; A129-F134 HydrophobicContact CB-CB 4.21Å; A129-F134 WeakPolarHBondContact O-CA 3.42Å; A129-F134 PolarHBondContact O-N 3.03Å; A129-F134 VanDerWaalsContact O-O 3.07Å; A129-F136 HydrophobicContact CB-CB 4.33Å
130T61.6Low56.5Low90 Ų9058 Ų5855%0.55234%0.344SS*.Hα-helixtrans-62.3-44178.4-60.70000111.8R126 V128 A132 G133 F134R126-T130 WeakPolarHBondContact O-CB 3.38Å; R126-T130 PolarHBondContact O-N 3.32Å; R126-T130 PolarHBondContact O-OG1 2.9Å; R126-T130 VanDerWaalsContact O-OG1 3.08Å; V128-T130 PolarHBondContact O-N 3.39Å; T130-A132 PolarHBondContact O-N 2.98Å; T130-G133 PolarHBondContact O-N 3.23Å; T130-G133 VanDerWaalsContact O-N 3.11Å; T130-F134 PolarHBondContact N-O 3.02Å
131A47.6Very low54.3Low68 Ų6857.3 Ų57.356%0.56234%0.341SS*.Hα-helixtrans-61.8-34.6175.500000112.4Q127 V128 A129 G133 P149Q127-A131 VanDerWaalsContact O-CB 3.26Å; Q127-A131 WeakPolarHBondContact O-CB 3.32Å; Q127-A131 PolarHBondContact O-N 3.35Å; V128-A131 PolarHBondContact O-N 2.89Å; A129-A131 PolarHBondContact O-N 2.83Å; A131-G133 VanDerWaalsContact C-N 3.32Å; A131-P149 HydrophobicContact CB-CG 4.43Å
132A40.5Very low52.1Low27 Ų2761.1 Ų61.122%0.22336%0.361CS..THydrogen-bonded Turntrans-86.54.6177.400000113.9V128 A129 T130 F134V128-A132 VanDerWaalsContact O-CB 3.27Å; V128-A132 WeakPolarHBondContact O-CB 3.46Å; V128-A132 PolarHBondContact O-N 3Å; A129-A132 CarbonylContact O-C 3.42Å; A129-A132 PolarHBondContact O-N 3.39Å; A129-A132 VanDerWaalsContact O-N 3.16Å; T130-A132 PolarHBondContact O-N 2.98Å; A132-F134 HydrophobicContact CB-CD2 3.61Å; A132-F134 HydrophobicContact CB-CE2 3.84Å; A132-F134 VanDerWaalsContact O-CD2 3.3Å; A132-F134 WeakPolarHBondContact O-CD2 3.38Å; A132-F134 WeakPolarHBondContact O-CE2 3.32Å
133G39.7Very low49.8Very low23 Ų2364.3 Ų64.324%0.23738%0.384CS..THydrogen-bonded Turntrans74.624179.200000114.9A129 T130 A131 S141A129-G133 PolarHBondContact O-N 3.28Å; T130-G133 PolarHBondContact O-N 3.23Å; T130-G133 VanDerWaalsContact O-N 3.11Å; A131-G133 VanDerWaalsContact C-N 3.32Å; G133-S141 WeakPolarHBondContact O-CB 3.37Å; G133-S141 PolarHBondContact O-OG 3.3Å
134F33.5Very low47.4Very low101 Ų10169.9 Ų69.944%0.44342%0.424SS..EExtended strand (participates in β ladder)trans-111.7151.5176-59.1-77.9000112A129 T130 A132 V140A129-F134 CarbonylContact C-O 3.26Å; A129-F134 HydrophobicContact CB-CB 4.21Å; A129-F134 WeakPolarHBondContact O-CA 3.42Å; A129-F134 PolarHBondContact O-N 3.03Å; A129-F134 VanDerWaalsContact O-O 3.07Å; T130-F134 PolarHBondContact N-O 3.02Å; A132-F134 HydrophobicContact CB-CD2 3.61Å; A132-F134 HydrophobicContact CB-CE2 3.84Å; A132-F134 VanDerWaalsContact O-CD2 3.3Å; A132-F134 WeakPolarHBondContact O-CD2 3.38Å; A132-F134 WeakPolarHBondContact O-CE2 3.32Å; F134-V140 HydrophobicContact CD1-CB 4.39Å; F134-V140 HydrophobicContact CD1-CG1 4.21Å; F134-V140 HydrophobicContact CD1-CG2 4.17Å; F134-V140 HydrophobicContact CE1-CB 4.46Å; F134-V140 HydrophobicContact CE1-CG1 3.91Å; F134-V140 HydrophobicContact CE1-CG2 4.14Å
135T45.5Very low45.2Very low44 Ų4470.9 Ų70.927%0.2745%0.453SS..EExtended strand (participates in β ladder)trans-93.9127.8167.558.70000110.3D137 G138 H139T135-D137 PolarHBondContact O-N 3.4Å; T135-D137 VanDerWaalsContact O-N 3.08Å; T135-G138 PolarHBondContact O-N 3.01Å; T135-G138 VanDerWaalsContact O-N 3.09Å; T135-H139 PolarHBondContact N-O 3Å; T135-H139 PolarHBondContact OG1-N 3.33Å; T135-H139 PolarHBondContact OG1-O 3.16Å
136F44.8Very low43Very low85 Ų8572.4 Ų72.437%0.37347%0.469SS..THydrogen-bonded Turntrans-61.4-19.2-176.3-173.4-95.7000113.9E122 R126 A129 G138E122-F136 HydrophobicContact CG-CD1 4.47Å; E122-F136 HydrophobicContact CG-CE1 3.74Å; E122-F136 HydrophobicContact CG-CZ 4.14Å; R126-F136 HydrophobicContact CB-CB 4.49Å; R126-F136 HydrophobicContact CG-CB 3.55Å; R126-F136 HydrophobicContact CG-CD1 4Å; R126-F136 HydrophobicContact CG-CD2 4.1Å; R126-F136 HydrophobicContact CG-CG 3.62Å; A129-F136 HydrophobicContact CB-CB 4.33Å; F136-G138 PolarHBondContact O-N 3.36Å
137D47.3Very low41Very low65 Ų6580.9 Ų80.935%0.34851%0.509SS..THydrogen-bonded Turntrans-8311.4177-70.2-61.7000113.7H63 R96 R126 T135H63-D137 IonicContact CE1-OD2 2.72Å; H63-D137 PolarHBondContact CE1-OD2 2.93Å; R96-D137 IonicContact NE-OD1 3.13Å; R96-D137 PolarHBondContact NE-OD1 2.89Å; R126-D137 IonicContact CZ-OD2 3.37Å; R126-D137 IonicContact NH1-OD2 2.91Å; R126-D137 PolarHBondContact NH1-OD2 3.23Å; R126-D137 IonicContact NH2-OD1 3.46Å; R126-D137 IonicContact NH2-OD2 3.85Å; T135-D137 PolarHBondContact O-N 3.4Å; T135-D137 VanDerWaalsContact O-N 3.08Å
138G33.8Very low39.3Very low67 Ų6783.7 Ų83.769%0.69153%0.527SS*.THydrogen-bonded Turntrans102.912.8162.900000116.4T135 F136T135-G138 PolarHBondContact O-N 3.01Å; T135-G138 VanDerWaalsContact O-N 3.09Å; F136-G138 PolarHBondContact O-N 3.36Å
139H36.1Very low37.8Very low116 Ų11683.6 Ų83.654%0.53753%0.527SS..EExtended strand (participates in β ladder)trans-111.1128.1174.2-96.4-75.8000112.4T135T135-H139 PolarHBondContact N-O 3Å; T135-H139 PolarHBondContact OG1-N 3.33Å; T135-H139 PolarHBondContact OG1-O 3.16Å
140V29.5Very low36.4Very low97 Ų9789.5 Ų89.559%0.58856%0.556SS**EExtended strand (participates in β ladder)trans-72.1123.5172178.20000108.9F134F134-V140 HydrophobicContact CD1-CB 4.39Å; F134-V140 HydrophobicContact CD1-CG1 4.21Å; F134-V140 HydrophobicContact CD1-CG2 4.17Å; F134-V140 HydrophobicContact CE1-CB 4.46Å; F134-V140 HydrophobicContact CE1-CG1 3.91Å; F134-V140 HydrophobicContact CE1-CG2 4.14Å
141S31.7Very low35.2Very low45 Ų4591.7 Ų91.732%0.31557%0.57SS.*  trans-81.9133164-37.20000107.9G133 S143G133-S141 WeakPolarHBondContact O-CB 3.37Å; G133-S141 PolarHBondContact O-OG 3.3Å; S141-S143 PolarHBondContact O-N 2.64Å
142N31.2Very low34.7Very low172 Ų17293 Ų9392%0.9258%0.575SS**  trans-7361.5174.9-88.3-5.1000111.4
143S30.5Very low34.2Very low74 Ų7499.6 Ų99.652%0.51760%0.599SS.*  trans-118.8103.9170.335.40000108.7S141S141-S143 PolarHBondContact O-N 2.64Å
144S27.4Very low34.3Very low121 Ų121103 Ų10385%0.84661%0.609SS**  trans-64.9129.317847.20000112.4
145G27.8Very low35.2Very low84 Ų84103.4 Ų103.487%0.86662%0.62SS**  trans80.790.8152.100000116.5
146G28.4Very low35.4Very low54 Ų54108.4 Ų108.456%0.55764%0.64SS**  trans-137.7129.7160.200000109.6
147E30Very low35.8Very low196 Ų196108 Ų10892%0.91664%0.642SS**PPolyproline II helixtrans-57.2134.5176.1-68.2177.9152.900110.5
148L33.1Very low36.3Very low150 Ų150105.4 Ų105.479%0.78563%0.63SS**PPolyproline II helixtrans-58124.4174.1-84.2140.3000109.2
149P33.1Very low37.4Very low61 Ų61109.5 Ų109.540%0.39663%0.625SS.*PPolyproline II helixtrans-70.2137.9176.528-31.3000109.8A131 T151A131-P149 HydrophobicContact CB-CG 4.43Å; P149-T151 PolarHBondContact O-N 2.9Å; P149-T151 VanDerWaalsContact O-N 3.11Å
150D30.5Very low38.5Very low139 Ų139109.6 Ų109.674%0.74363%0.626SS**  trans-51.7115.6176.7-105.6-31.2000110.7S152D150-S152 PolarHBondContact O-N 3.37Å
151T37.9Very low41Very low137 Ų137107 Ų10784%0.8461%0.612SS**THydrogen-bonded Turntrans-7416.8-175.746.30000114P149P149-T151 PolarHBondContact O-N 2.9Å; P149-T151 VanDerWaalsContact O-N 3.11Å
152S35.4Very low43.4Very low95 Ų95105.3 Ų105.366%0.66460%0.599SS**THydrogen-bonded Turntrans-110.9-4.3-176.261.90000114.8D150 E154D150-S152 PolarHBondContact O-N 3.37Å; S152-E154 PolarHBondContact O-N 2.81Å
153F30.9Very low46Very low165 Ų165100.6 Ų100.672%0.72457%0.572SS**SBendtrans-85.3107175.2-105-104.5000111.6
154E42.3Very low48.8Very low96 Ų96103.4 Ų103.445%0.44958%0.575SS.*  trans77.473.2146.6-49.1-180157.700119S152 E156 N157 G158S152-E154 PolarHBondContact O-N 2.81Å; E154-E156 PolarHBondContact O-N 3.28Å; E154-N157 HydrophobicContact CB-CB 3.78Å; E154-N157 HydrophobicContact CG-CB 4.33Å; E154-N157 PolarHBondContact OE1-ND2 3.42Å; E154-N157 WeakPolarHBondContact OE2-CB 3.18Å; E154-N157 PolarHBondContact OE2-ND2 2.97Å; E154-G158 PolarHBondContact O-N 3.38Å
155T51.4Low51.9Low109 Ų10998.9 Ų98.967%0.66954%0.541SS*.Hα-helixtrans-63.2-26.6163.6-10.40000112.7R159T155-R159 WeakPolarHBondContact O-CB 3.37Å; T155-R159 VanDerWaalsContact O-CG 3.31Å; T155-R159 WeakPolarHBondContact O-CG 3.36Å; T155-R159 PolarHBondContact O-N 3.24Å
156E50.2Low55Low148 Ų14896 Ų9669%0.69250%0.504SS*.Hα-helixtrans-81.3-50.7176.5-83.9-167.2154.400113.4E154 G158 R159 Q160E154-E156 PolarHBondContact O-N 3.28Å; E156-G158 VanDerWaalsContact C-N 3.27Å; E156-G158 PolarHBondContact O-N 3.31Å; E156-R159 WeakPolarHBondContact O-CB 3.41Å; E156-R159 PolarHBondContact O-N 3.28Å; E156-R159 VanDerWaalsContact O-N 3.09Å; E156-Q160 WeakPolarHBondContact O-CG 3.22Å; E156-Q160 PolarHBondContact O-N 2.84Å
157N54.2Low58.1Low77 Ų7797.3 Ų97.341%0.41250%0.498SS..Hα-helixtrans-64.6-35.7177.2-72.3-8.9000111.4E154 R159 Q160 S161E154-N157 HydrophobicContact CB-CB 3.78Å; E154-N157 HydrophobicContact CG-CB 4.33Å; E154-N157 PolarHBondContact OE1-ND2 3.42Å; E154-N157 WeakPolarHBondContact OE2-CB 3.18Å; E154-N157 PolarHBondContact OE2-ND2 2.97Å; N157-R159 VanDerWaalsContact C-N 3.33Å; N157-R159 PolarHBondContact O-N 3.48Å; N157-Q160 PolarHBondContact O-N 3.48Å; N157-S161 WeakPolarHBondContact O-CB 3.48Å; N157-S161 PolarHBondContact O-N 2.81Å
158G56Low61.2Low11 Ų1189.6 Ų89.611%0.11346%0.463CS..Hα-helixtrans-59.5-42.2171.700000112.8Y124 E154 E156 S161 L162Y124-G158 WeakPolarHBondContact OH-CA 3.49Å; Y124-G158 PolarHBondContact OH-O 3.04Å; E154-G158 PolarHBondContact O-N 3.38Å; E156-G158 VanDerWaalsContact C-N 3.27Å; E156-G158 PolarHBondContact O-N 3.31Å; G158-S161 PolarHBondContact O-N 3.27Å; G158-S161 PolarHBondContact O-OG 3.24Å; G158-L162 PolarHBondContact O-N 3.06Å; G158-L162 VanDerWaalsContact O-N 3.1Å
159R57.8Low64.2Low152 Ų15282.5 Ų82.557%0.57443%0.426SS*.Hα-helixtrans-66-49.1175.5-88.1179.4168.9167.7-2111.5Y124 T155 E156 N157 S161 L162 E163Y124-R159 PolarHBondContact OH-N 3.44Å; T155-R159 WeakPolarHBondContact O-CB 3.37Å; T155-R159 VanDerWaalsContact O-CG 3.31Å; T155-R159 WeakPolarHBondContact O-CG 3.36Å; T155-R159 PolarHBondContact O-N 3.24Å; E156-R159 WeakPolarHBondContact O-CB 3.41Å; E156-R159 PolarHBondContact O-N 3.28Å; E156-R159 VanDerWaalsContact O-N 3.09Å; N157-R159 VanDerWaalsContact C-N 3.33Å; N157-R159 PolarHBondContact O-N 3.48Å; R159-S161 PolarHBondContact O-N 2.86Å; R159-L162 PolarHBondContact O-N 3.35Å; R159-E163 VanDerWaalsContact O-CG 3.31Å; R159-E163 WeakPolarHBondContact O-CG 3.49Å; R159-E163 PolarHBondContact O-N 3.19Å
160Q60Low67.2Low118 Ų11879.7 Ų79.755%0.55141%0.408SS*.Hα-helixtrans-56.9-35.4176.3-69.7179.513.900111.6E156 N157 K164E156-Q160 WeakPolarHBondContact O-CG 3.22Å; E156-Q160 PolarHBondContact O-N 2.84Å; N157-Q160 PolarHBondContact O-N 3.48Å; Q160-K164 WeakPolarHBondContact O-CB 3.35Å; Q160-K164 PolarHBondContact O-N 3.14Å; Q160-K164 VanDerWaalsContact O-N 3.08Å
161S80.3Confident70.3Confident42 Ų4275.8 Ų75.829%0.29439%0.385SS..Hα-helixtrans-64.5-45.4174.483.90000112F123 N157 G158 R159 E163 K164 L165F123-S161 WeakPolarHBondContact CE1-OG 3.47Å; F123-S161 WeakPolarHBondContact CZ-OG 3.22Å; N157-S161 WeakPolarHBondContact O-CB 3.48Å; N157-S161 PolarHBondContact O-N 2.81Å; G158-S161 PolarHBondContact O-N 3.27Å; G158-S161 PolarHBondContact O-OG 3.24Å; R159-S161 PolarHBondContact O-N 2.86Å; S161-E163 PolarHBondContact O-N 3.37Å; S161-K164 PolarHBondContact O-N 3.49Å; S161-L165 WeakPolarHBondContact O-CD1 3.48Å; S161-L165 WeakPolarHBondContact O-CG 3.39Å; S161-L165 PolarHBondContact O-N 3.4Å
162L83.2Confident73Confident11 Ų1169.3 Ų69.36%0.05835%0.345CS..Hα-helixtrans-68.4-35.7179.7-175.761.2000112.3P120 F123 G158 R159 L165 R166P120-L162 HydrophobicContact CG-CD2 4.28Å; F123-L162 HydrophobicContact CB-CD1 4.29Å; F123-L162 HydrophobicContact CD1-CB 4.37Å; F123-L162 HydrophobicContact CD1-CD1 4.46Å; F123-L162 HydrophobicContact CD2-CD1 4.27Å; F123-L162 HydrophobicContact CE1-CB 4.43Å; F123-L162 HydrophobicContact CG-CD1 4.08Å; G158-L162 PolarHBondContact O-N 3.06Å; G158-L162 VanDerWaalsContact O-N 3.1Å; R159-L162 PolarHBondContact O-N 3.35Å; L162-L165 PolarHBondContact O-N 3.31Å; L162-R166 WeakPolarHBondContact O-CG 3.3Å; L162-R166 PolarHBondContact O-N 3.36Å; L162-R166 VanDerWaalsContact O-N 3.09Å
163E85.2Confident75.9Confident72 Ų7264.8 Ų64.834%0.33631%0.313SS..Hα-helixtrans-63.2-48.7175.5-64.6-178.6-173.400110.8R159 S161 L165 R166 D167 Q206R159-E163 VanDerWaalsContact O-CG 3.31Å; R159-E163 WeakPolarHBondContact O-CG 3.49Å; R159-E163 PolarHBondContact O-N 3.19Å; S161-E163 PolarHBondContact O-N 3.37Å; E163-L165 VanDerWaalsContact C-N 3.33Å; E163-L165 PolarHBondContact O-N 3.38Å; E163-R166 WeakPolarHBondContact O-CB 3.48Å; E163-R166 PolarHBondContact O-N 3.23Å; E163-D167 PolarHBondContact O-N 2.87Å; E163-Q206 PolarHBondContact OE1-NE2 2.81Å; E163-Q206 VanDerWaalsContact OE1-NE2 3.15Å; E163-Q206 PolarHBondContact OE2-NE2 3Å
164K90.5Very high79Confident134 Ų13462.2 Ų62.258%0.58330%0.299SS*.Hα-helixtrans-58-43.1174.1178.6172.4-179.1164.80112.6Q160 S161 R166 D167 D168Q160-K164 WeakPolarHBondContact O-CB 3.35Å; Q160-K164 PolarHBondContact O-N 3.14Å; Q160-K164 VanDerWaalsContact O-N 3.08Å; S161-K164 PolarHBondContact O-N 3.49Å; K164-R166 PolarHBondContact O-N 2.85Å; K164-D167 WeakPolarHBondContact O-CB 3.11Å; K164-D167 PolarHBondContact O-N 2.96Å; K164-D167 VanDerWaalsContact O-N 3.1Å; K164-D168 PolarHBondContact O-N 3.33Å
165L91.6Very high81.4Confident25 Ų2561.5 Ų61.513%0.13129%0.292CS..Hα-helixtrans-60.3-34.6177.2-69.9167.1000112.1Q89 F92 A93 F123 S161 L162 E163 D169Q89-L165 WeakPolarHBondContact O-CD2 3.41Å; F92-L165 HydrophobicContact CB-CD1 3.77Å; F92-L165 HydrophobicContact CB-CD2 4.44Å; A93-L165 HydrophobicContact CB-CB 4.2Å; A93-L165 WeakPolarHBondContact CB-O 3.48Å; F123-L165 HydrophobicContact CD2-CD1 4.31Å; F123-L165 HydrophobicContact CE2-CD1 3.54Å; F123-L165 HydrophobicContact CZ-CD1 3.92Å; S161-L165 WeakPolarHBondContact O-CD1 3.48Å; S161-L165 WeakPolarHBondContact O-CG 3.39Å; S161-L165 PolarHBondContact O-N 3.4Å; L162-L165 PolarHBondContact O-N 3.31Å; E163-L165 VanDerWaalsContact C-N 3.33Å; E163-L165 PolarHBondContact O-N 3.38Å; L165-D169 PolarHBondContact O-N 3.05Å
166R92.5Very high83.5Confident24 Ų2456.3 Ų56.39%0.09126%0.26CS..Hα-helixtrans-74.5-32.2175.1-70.9176.6177.2-168.3-2.9112.4A93 S118 L162 E163 K164 D168 D169 C170 S199 D204A93-R166 HydrophobicContact CB-CG 4.1Å; S118-R166 PolarHBondContact O-NH2 3.35Å; L162-R166 WeakPolarHBondContact O-CG 3.3Å; L162-R166 PolarHBondContact O-N 3.36Å; L162-R166 VanDerWaalsContact O-N 3.09Å; E163-R166 WeakPolarHBondContact O-CB 3.48Å; E163-R166 PolarHBondContact O-N 3.23Å; K164-R166 PolarHBondContact O-N 2.85Å; R166-D168 VanDerWaalsContact C-N 3.35Å; R166-D169 PolarHBondContact O-N 2.95Å; R166-C170 PolarHBondContact O-N 3.32Å; R166-C170 PolarHBondContact O-SG 3.47Å; R166-S199 PolarHBondContact NH2-OG 3.43Å; R166-S199 VanDerWaalsContact NH2-OG 3.15Å; R166-D204 IonicContact NH1-OD1 3.47Å; R166-D204 PolarHBondContact NH1-OD1 3.41Å
167D93.9Very high85.6Confident82 Ų8251 Ų5144%0.43924%0.237SC..Hα-helixtrans-63.7-43.6170.1-64.5-33.9000110.6E163 K164 D169 C170 E171 R208E163-D167 PolarHBondContact O-N 2.87Å; K164-D167 WeakPolarHBondContact O-CB 3.11Å; K164-D167 PolarHBondContact O-N 2.96Å; K164-D167 VanDerWaalsContact O-N 3.1Å; D167-D169 VanDerWaalsContact C-N 3.34Å; D167-D169 PolarHBondContact O-N 2.84Å; D167-C170 PolarHBondContact O-N 3.25Å; D167-E171 PolarHBondContact O-N 3.29Å; D167-R208 VanDerWaalsContact OD1-CD 3.26Å; D167-R208 WeakPolarHBondContact OD1-CD 3.41Å; D167-R208 IonicContact OD1-NE 3.58Å
168D94.6Very high87.6Confident34 Ų3447.7 Ų47.718%0.18222%0.219CC..Hα-helixtrans-63.9-36.7175-66.4-23.3000111.7L86 K164 R166 E171 L172L86-D168 HydrophobicContact CD1-CB 4.02Å; K164-D168 PolarHBondContact O-N 3.33Å; R166-D168 VanDerWaalsContact C-N 3.35Å; D168-E171 PolarHBondContact O-N 2.85Å; D168-L172 WeakPolarHBondContact O-CB 3.24Å; D168-L172 PolarHBondContact O-N 3.38Å
169D96.3Very high89.5Confident0 Ų048.8 Ų48.80%022%0.224CC..Hα-helixtrans-63-43.7171.8-17481.7000111.5A93 R94 L165 R166 D167 E171 L172 I173 Y209A93-D169 HydrophobicContact CB-CB 3.88Å; R94-D169 WeakPolarHBondContact CG-OD1 3.44Å; R94-D169 IonicContact CZ-OD1 2.84Å; R94-D169 IonicContact CZ-OD2 3.22Å; R94-D169 IonicContact NE-OD1 3.06Å; R94-D169 PolarHBondContact NE-OD1 3.28Å; R94-D169 IonicContact NE-OD2 3.27Å; R94-D169 PolarHBondContact NE-OD2 2.97Å; R94-D169 VanDerWaalsContact NE-OD2 3.14Å; R94-D169 IonicContact NH2-OD1 3.32Å; R94-D169 IonicContact NH2-OD2 3.55Å; R94-D169 PolarHBondContact NH2-OD2 3.18Å; L165-D169 PolarHBondContact O-N 3.05Å; R166-D169 PolarHBondContact O-N 2.95Å; D167-D169 VanDerWaalsContact C-N 3.34Å; D167-D169 PolarHBondContact O-N 2.84Å; D169-E171 PolarHBondContact O-N 2.9Å; D169-L172 WeakPolarHBondContact O-CB 3.48Å; D169-L172 PolarHBondContact O-N 2.78Å; D169-I173 VanDerWaalsContact O-CG1 3.24Å; D169-I173 WeakPolarHBondContact O-CG1 3.29Å; D169-I173 PolarHBondContact O-N 2.92Å; D169-I173 WeakPolarHBondContact OD2-CD1 3.46Å; D169-Y209 PolarHBondContact OD2-OH 3.46Å
170C96.1Very high91.4Very high3 Ų342.7 Ų42.72%0.0220%0.201CC..Hα-helixtrans-64.4-40.3176-660000112R166 D167 L172 I173 R174 Y209 F212R166-C170 PolarHBondContact O-N 3.32Å; R166-C170 PolarHBondContact O-SG 3.47Å; D167-C170 PolarHBondContact O-N 3.25Å; C170-L172 VanDerWaalsContact C-N 3.33Å; C170-I173 PolarHBondContact O-N 2.81Å; C170-R174 PolarHBondContact O-N 3.2Å; C170-Y209 VanDerWaalsContact SG-CE1 3.53Å; C170-F212 HydrophobicContact CB-CE2 4.26Å
171E95.5Very high93.2Very high57 Ų5737 Ų3727%0.26618%0.175SC..Hα-helixtrans-60.3-43.5172.717865-165.900111.2L86 D167 D168 D169 I173 R174 R175L86-E171 HydrophobicContact CD1-CG 4.32Å; L86-E171 HydrophobicContact CD2-CB 4.28Å; L86-E171 HydrophobicContact CD2-CG 3.73Å; D167-E171 PolarHBondContact O-N 3.29Å; D168-E171 PolarHBondContact O-N 2.85Å; D169-E171 PolarHBondContact O-N 2.9Å; E171-I173 PolarHBondContact O-N 2.8Å; E171-R174 PolarHBondContact O-N 2.8Å; E171-R174 IonicContact OE2-CZ 3.22Å; E171-R174 IonicContact OE2-NH1 2.63Å; E171-R174 PolarHBondContact OE2-NH1 2.88Å; E171-R175 WeakPolarHBondContact O-CG 3.49Å; E171-R175 PolarHBondContact O-N 2.88Å; E171-R175 IonicContact OE1-CZ 3.77Å; E171-R175 IonicContact OE1-NE 2.87Å; E171-R175 PolarHBondContact OE1-NE 3.35Å; E171-R175 IonicContact OE1-NH2 2.79Å; E171-R175 PolarHBondContact OE1-NH2 2.74Å
172L95.7Very high94Very high0 Ų035 Ų350%016%0.161CC..Hα-helixtrans-60.2-47.8177.1175.960.3000111.2L83 L86 M87 S90 V100 D168 D169 C170 R174 R175 L176L83-L172 HydrophobicContact CD1-CD1 3.55Å; L86-L172 HydrophobicContact CD2-CB 3.91Å; L86-L172 HydrophobicContact CD2-CD1 4.29Å; L86-L172 HydrophobicContact CG-CB 4.1Å; M87-L172 HydrophobicContact CE-CD1 4.1Å; M87-L172 HydrophobicContact CG-CD1 3.65Å; M87-L172 HydrophobicContact CG-CD2 3.87Å; M87-L172 HydrophobicContact CG-CG 4.44Å; S90-L172 WeakPolarHBondContact OG-CD2 3.39Å; V100-L172 HydrophobicContact CB-CD2 4.02Å; V100-L172 HydrophobicContact CB-CG 4.38Å; D168-L172 WeakPolarHBondContact O-CB 3.24Å; D168-L172 PolarHBondContact O-N 3.38Å; D169-L172 WeakPolarHBondContact O-CB 3.48Å; D169-L172 PolarHBondContact O-N 2.78Å; C170-L172 VanDerWaalsContact C-N 3.33Å; L172-R174 VanDerWaalsContact C-N 3.32Å; L172-R174 PolarHBondContact O-N 2.96Å; L172-R175 PolarHBondContact O-N 3.44Å; L172-L176 HydrophobicContact CD1-CD1 3.9Å; L172-L176 HydrophobicContact CD1-CG 4.1Å; L172-L176 HydrophobicContact CG-CD1 4.04Å; L172-L176 WeakPolarHBondContact O-CB 3.41Å; L172-L176 VanDerWaalsContact O-CG 3.31Å; L172-L176 WeakPolarHBondContact O-CG 3.35Å; L172-L176 PolarHBondContact O-N 2.95Å
173I96.1Very high94.7Very high0 Ų034.5 Ų34.50%016%0.158CC..Hα-helixtrans-60.1-42.6178.7-65.5167.8000110.7V100 D169 C170 E171 L176 N177 V178 I181 Y209 F212 L298V100-I173 HydrophobicContact CB-CG1 4.41Å; V100-I173 HydrophobicContact CG1-CG1 4.37Å; V100-I173 HydrophobicContact CG2-CD1 4.25Å; V100-I173 HydrophobicContact CG2-CG1 3.88Å; D169-I173 VanDerWaalsContact O-CG1 3.24Å; D169-I173 WeakPolarHBondContact O-CG1 3.29Å; D169-I173 PolarHBondContact O-N 2.92Å; D169-I173 WeakPolarHBondContact OD2-CD1 3.46Å; C170-I173 PolarHBondContact O-N 2.81Å; E171-I173 PolarHBondContact O-N 2.8Å; I173-L176 PolarHBondContact O-N 2.75Å; I173-N177 PolarHBondContact O-N 3.07Å; I173-V178 HydrophobicContact CG2-CB 3.58Å; I173-V178 HydrophobicContact CG2-CG1 3.7Å; I173-V178 HydrophobicContact CG2-CG2 4.41Å; I173-V178 PolarHBondContact O-N 3.16Å; I173-I181 HydrophobicContact CD1-CD1 4.36Å; I173-Y209 HydrophobicContact CD1-CD1 4.4Å; I173-Y209 HydrophobicContact CD1-CE1 4.02Å; I173-F212 HydrophobicContact CB-CE1 4Å; I173-F212 HydrophobicContact CB-CE2 4.4Å; I173-F212 HydrophobicContact CB-CZ 3.73Å; I173-F212 HydrophobicContact CG2-CD1 3.78Å; I173-F212 HydrophobicContact CG2-CE1 3.27Å; I173-F212 HydrophobicContact CG2-CE2 4.13Å; I173-F212 HydrophobicContact CG2-CG 4.39Å; I173-F212 HydrophobicContact CG2-CZ 3.47Å; I173-F212 VanDerWaalsContact CG2-CZ 3.47Å; I173-L298 HydrophobicContact CD1-CD2 3.93Å; I173-L298 HydrophobicContact CG1-CD2 4.18Å
174R94.9Very high95.2Very high111 Ų11131.1 Ų31.142%0.41914%0.142SC..Hα-helixtrans-62.6-45.3174.9-95.3-174.2-84.391.22.2112.3C170 E171 L172 L176 N177 D211 F212C170-R174 PolarHBondContact O-N 3.2Å; E171-R174 PolarHBondContact O-N 2.8Å; E171-R174 IonicContact OE2-CZ 3.22Å; E171-R174 IonicContact OE2-NH1 2.63Å; E171-R174 PolarHBondContact OE2-NH1 2.88Å; L172-R174 VanDerWaalsContact C-N 3.32Å; L172-R174 PolarHBondContact O-N 2.96Å; R174-L176 VanDerWaalsContact C-N 3.26Å; R174-L176 PolarHBondContact O-N 3.21Å; R174-N177 WeakPolarHBondContact O-CA 3.26Å; R174-N177 PolarHBondContact O-N 3.34Å; R174-D211 IonicContact NE-OD2 2.73Å; R174-F212 HydrophobicContact CG-CE1 3.88Å; R174-F212 HydrophobicContact CG-CZ 3.93Å
175R93.8Very high95.4Very high82 Ų8224.7 Ų24.731%0.30911%0.114SC..Hα-helixtrans-64.9-30.3177.7-71.8-169.4-170.7-165.63.7113.4L83 E171 L172 N177L83-R175 HydrophobicContact CD1-CB 4.3Å; E171-R175 WeakPolarHBondContact O-CG 3.49Å; E171-R175 PolarHBondContact O-N 2.88Å; E171-R175 IonicContact OE1-CZ 3.77Å; E171-R175 IonicContact OE1-NE 2.87Å; E171-R175 PolarHBondContact OE1-NE 3.35Å; E171-R175 IonicContact OE1-NH2 2.79Å; E171-R175 PolarHBondContact OE1-NH2 2.74Å; L172-R175 PolarHBondContact O-N 3.44Å; R175-N177 PolarHBondContact O-N 2.78Å
176L94.5Very high95.5Very high0 Ų024.1 Ų24.10%011%0.111CC..THydrogen-bonded Turntrans-78.45.4173-66.4177.1000113L76 L83 M87 V100 P102 N110 L172 I173 R174 V178L76-L176 HydrophobicContact CD1-CD2 4.39Å; L83-L176 HydrophobicContact CD1-CD2 4.21Å; L83-L176 HydrophobicContact CD2-CD2 4.03Å; M87-L176 HydrophobicContact CE-CD1 4.38Å; M87-L176 HydrophobicContact CE-CD2 4.31Å; V100-L176 HydrophobicContact CB-CD1 4.29Å; V100-L176 HydrophobicContact CG1-CD1 3.69Å; P102-L176 HydrophobicContact CG-CD1 4.47Å; P102-L176 HydrophobicContact CG-CD2 3.65Å; N110-L176 WeakPolarHBondContact CB-O 3.48Å; N110-L176 PolarHBondContact ND2-O 2.88Å; L172-L176 HydrophobicContact CD1-CD1 3.9Å; L172-L176 HydrophobicContact CD1-CG 4.1Å; L172-L176 HydrophobicContact CG-CD1 4.04Å; L172-L176 WeakPolarHBondContact O-CB 3.41Å; L172-L176 VanDerWaalsContact O-CG 3.31Å; L172-L176 WeakPolarHBondContact O-CG 3.35Å; L172-L176 PolarHBondContact O-N 2.95Å; I173-L176 PolarHBondContact O-N 2.75Å; R174-L176 VanDerWaalsContact C-N 3.26Å; R174-L176 PolarHBondContact O-N 3.21Å; L176-V178 VanDerWaalsContact C-N 3.25Å; L176-V178 HydrophobicContact CB-CG2 4.32Å; L176-V178 PolarHBondContact O-N 2.82Å
177N94.3Very high95.3Very high37 Ų3723.7 Ų23.720%0.19811%0.11CC..THydrogen-bonded Turntrans55.439.3178.8-168.440.4000112.5H75 I173 R174 R175 G296H75-N177 HydrophobicContact CB-CB 4.08Å; H75-N177 PolarHBondContact CD2-ND2 2.8Å; H75-N177 VanDerWaalsContact CD2-ND2 3.34Å; I173-N177 PolarHBondContact O-N 3.07Å; R174-N177 WeakPolarHBondContact O-CA 3.26Å; R174-N177 PolarHBondContact O-N 3.34Å; R175-N177 PolarHBondContact O-N 2.78Å; N177-G296 WeakPolarHBondContact O-CA 3.5Å; N177-G296 PolarHBondContact O-N 2.87Å
178V95.9Very high95Very high7 Ų723.8 Ų23.84%0.04211%0.105CC..EExtended strand (participates in β ladder)trans-87.7134.9174.7168.90000109.5C112 I173 L176 F212 L298C112-V178 HydrophobicContact CB-CG2 4.17Å; I173-V178 HydrophobicContact CG2-CB 3.58Å; I173-V178 HydrophobicContact CG2-CG1 3.7Å; I173-V178 HydrophobicContact CG2-CG2 4.41Å; I173-V178 PolarHBondContact O-N 3.16Å; L176-V178 VanDerWaalsContact C-N 3.25Å; L176-V178 HydrophobicContact CB-CG2 4.32Å; L176-V178 PolarHBondContact O-N 2.82Å; V178-F212 WeakPolarHBondContact O-CD1 3.46Å; V178-L298 HydrophobicContact CG1-CB 3.76Å; V178-L298 HydrophobicContact CG2-CB 4.49Å
179T97Very high94.4Very high34 Ų3427.3 Ų27.321%0.20912%0.116CC..EExtended strand (participates in β ladder)trans-112.5-35.4173-58.60000111.7V213 A294 G295 G296T179-V213 HydrophobicContact CG2-CG2 4.41Å; T179-V213 PolarHBondContact O-N 3.47Å; T179-A294 HydrophobicContact CG2-CB 4.4Å; T179-G295 VanDerWaalsContact OG1-CA 3.26Å; T179-G295 WeakPolarHBondContact OG1-CA 3.16Å; T179-G295 PolarHBondContact OG1-N 2.84Å; T179-G296 PolarHBondContact N-O 3.06Å
180Y98Very high93.6Very high23 Ų2331.2 Ų31.29%0.0913%0.133CC..EExtended strand (participates in β ladder)trans-112.2122.4-172.7-51.7-83.2000110.7V213 I215 P257 L289 G293 A294 G296 L297 L298Y180-V213 WeakPolarHBondContact CA-O 3.35Å; Y180-V213 HydrophobicContact CD1-CB 3.71Å; Y180-V213 HydrophobicContact CD1-CG1 3.98Å; Y180-V213 HydrophobicContact CD1-CG2 4.21Å; Y180-V213 HydrophobicContact CE1-CB 4.14Å; Y180-V213 HydrophobicContact CE1-CG1 4.35Å; Y180-V213 HydrophobicContact CE1-CG2 4.15Å; Y180-I215 HydrophobicContact CD1-CD1 4.04Å; Y180-P257 HydrophobicContact CD1-CG 4.35Å; Y180-P257 HydrophobicContact CE1-CG 4.01Å; Y180-L289 HydrophobicContact CD1-CD1 4.16Å; Y180-L289 HydrophobicContact CD1-CD2 3.95Å; Y180-L289 HydrophobicContact CD2-CB 4.31Å; Y180-L289 HydrophobicContact CE1-CD2 3.72Å; Y180-L289 HydrophobicContact CE2-CB 4.42Å; Y180-L289 HydrophobicContact CE2-CD2 4.34Å; Y180-L289 HydrophobicContact CG-CD1 4.11Å; Y180-L289 HydrophobicContact CG-CD2 4.38Å; Y180-G293 WeakPolarHBondContact OH-CA 3.42Å; Y180-A294 PolarHBondContact OH-N 2.95Å; Y180-A294 VanDerWaalsContact OH-N 3.09Å; Y180-G296 PolarHBondContact N-O 3.27Å; Y180-G296 VanDerWaalsContact N-O 3.11Å; Y180-L297 HydrophobicContact CD2-CD2 3.87Å; Y180-L297 HydrophobicContact CG-CD2 4.14Å; Y180-L297 CarbonylContact O-C 3.09Å; Y180-L297 WeakPolarHBondContact O-CA 3.47Å; Y180-L298 PolarHBondContact O-N 3.47Å
181I97.6Very high92.4Very high0 Ų035.9 Ų35.90%016%0.156CC..EExtended strand (participates in β ladder)trans-101.9107.5173.7-58.2178.4000107.8I173 E201 Y209 F212 V213 V214 I215 L298 H300I173-I181 HydrophobicContact CD1-CD1 4.36Å; I181-E201 HydrophobicContact CD1-CG 4.49Å; I181-E201 HydrophobicContact CG2-CG 4.47Å; I181-Y209 HydrophobicContact CD1-CD1 3.98Å; I181-F212 HydrophobicContact CD1-CB 3.75Å; I181-F212 HydrophobicContact CD1-CD2 3.82Å; I181-F212 HydrophobicContact CD1-CG 3.84Å; I181-F212 HydrophobicContact CG1-CB 4Å; I181-F212 HydrophobicContact CG1-CG 4.35Å; I181-V213 PolarHBondContact N-O 2.76Å; I181-V214 HydrophobicContact CB-CG2 4.32Å; I181-V214 HydrophobicContact CD1-CG2 4.36Å; I181-V214 CarbonylContact O-C 3.24Å; I181-V214 WeakPolarHBondContact O-CA 2.97Å; I181-I215 PolarHBondContact O-N 3.41Å; I181-L298 HydrophobicContact CG1-CB 4.31Å; I181-L298 HydrophobicContact CG1-CD2 4.3Å; I181-L298 HydrophobicContact CG2-CD2 4.34Å; I181-H300 WeakPolarHBondContact CG2-NE2 3.35Å
182C97.6Very high90.9Very high0 Ų039.8 Ų39.80%017%0.172CC..EExtended strand (participates in β ladder)trans-98.5108.5-178.1-59.70000109.7L217 L286 L298 L299 H300C182-L217 HydrophobicContact CB-CD1 4.15Å; C182-L286 HydrophobicContact CB-CD2 4.05Å; C182-L286 WeakPolarHBondContact SG-CD2 3.38Å; C182-L298 PolarHBondContact N-O 2.93Å; C182-L299 HydrophobicContact CB-CD2 3.6Å; C182-H300 PolarHBondContact O-N 3.06Å; C182-H300 VanDerWaalsContact O-N 3.16Å
183D96.3Very high89.6Confident0 Ų044.8 Ų44.80%021%0.206CC..EExtended strand (participates in β ladder)trans-106.5111.2-173.4-179.4-0.9000111.7M185 S200 K202 I215 L217 H300D183-M185 VanDerWaalsContact C-N 3.32Å; D183-M185 PolarHBondContact O-N 3.4Å; D183-M185 WeakPolarHBondContact OD1-CB 3.44Å; D183-M185 WeakPolarHBondContact OD1-CG 3.49Å; D183-M185 PolarHBondContact OD1-N 3.29Å; D183-S200 WeakPolarHBondContact OD2-CB 3.12Å; D183-S200 PolarHBondContact OD2-OG 3.43Å; D183-K202 VanDerWaalsContact CG-CE 3.47Å; D183-K202 PolarHBondContact O-NZ 3.43Å; D183-K202 IonicContact OD1-NZ 2.82Å; D183-K202 WeakPolarHBondContact OD2-CE 3.41Å; D183-K202 IonicContact OD2-NZ 3.42Å; D183-K202 PolarHBondContact OD2-NZ 3.4Å; D183-I215 PolarHBondContact N-O 3.06Å; D183-L217 CarbonylContact O-C 3.45Å; D183-L217 PolarHBondContact O-N 2.91Å; D183-H300 WeakPolarHBondContact CB-NE2 3.45Å; D183-H300 IonicContact OD1-CE1 3.86Å; D183-H300 IonicContact OD1-ND1 3.97Å; D183-H300 IonicContact OD2-CE1 3.7Å
184F97.1Very high88Confident0 Ų056.6 Ų56.60%025%0.251CS..  trans-83.33.5-178.8-54.5-60.8000115.5L217 Y219 Y282 L286 L299 H300 C301 R307 F311F184-L217 VanDerWaalsContact CA-O 3.3Å; F184-L217 WeakPolarHBondContact CA-O 3.4Å; F184-L217 HydrophobicContact CD1-CB 3.87Å; F184-L217 WeakPolarHBondContact CD1-O 3.47Å; F184-L217 HydrophobicContact CE1-CB 4.06Å; F184-L217 HydrophobicContact CE1-CD1 4.05Å; F184-Y219 PolarHBondContact O-N 3.47Å; F184-Y282 HydrophobicContact CE1-CD2 4.43Å; F184-L286 HydrophobicContact CZ-CD1 4.2Å; F184-L299 HydrophobicContact CE2-CB 4.05Å; F184-L299 HydrophobicContact CZ-CD2 4.31Å; F184-H300 WeakPolarHBondContact CD2-O 3.2Å; F184-H300 PolarHBondContact N-O 3.04Å; F184-C301 HydrophobicContact CB-CB 4.2Å; F184-R307 HydrophobicContact CB-CB 4.17Å; F184-R307 HydrophobicContact CD2-CB 4.36Å; F184-R307 HydrophobicContact CG-CB 4.49Å; F184-R307 PolarHBondContact O-NH1 3.24Å; F184-F311 AromaticContact CD1-CD2 3.98Å; F184-F311 HydrophobicContact CD1-CD2 3.98Å; F184-F311 AromaticContact CD1-CE2 3.74Å; F184-F311 HydrophobicContact CD1-CE2 3.74Å; F184-F311 HydrophobicContact CD1-CZ 4.43Å; F184-F311 AromaticContact CD2-CD2 3.93Å; F184-F311 HydrophobicContact CD2-CD2 3.93Å; F184-F311 HydrophobicContact CD2-CE2 4.38Å; F184-F311 HydrophobicContact CE1-CD1 4.43Å; F184-F311 AromaticContact CE1-CD2 3.53Å; F184-F311 HydrophobicContact CE1-CD2 3.53Å; F184-F311 HydrophobicContact CE1-CE1 4.44Å; F184-F311 AromaticContact CE1-CE2 3.55Å; F184-F311 HydrophobicContact CE1-CE2 3.55Å; F184-F311 HydrophobicContact CE1-CG 4.01Å; F184-F311 HydrophobicContact CE1-CZ 4.03Å; F184-F311 HydrophobicContact CE2-CB 4.03Å; F184-F311 AromaticContact CE2-CD2 3.44Å; F184-F311 HydrophobicContact CE2-CD2 3.44Å; F184-F311 VanDerWaalsContact CE2-CD2 3.44Å; F184-F311 HydrophobicContact CE2-CE2 4.2Å; F184-F311 AromaticContact CE2-CG 3.94Å; F184-F311 HydrophobicContact CE2-CG 3.94Å; F184-F311 HydrophobicContact CG-CD2 4.19Å; F184-F311 HydrophobicContact CG-CE2 4.18Å; F184-F311 HydrophobicContact CZ-CB 3.84Å; F184-F311 HydrophobicContact CZ-CD1 4.2Å; F184-F311 AromaticContact CZ-CD2 3.24Å; F184-F311 HydrophobicContact CZ-CD2 3.24Å; F184-F311 AromaticContact CZ-CE2 3.81Å; F184-F311 HydrophobicContact CZ-CE2 3.81Å; F184-F311 AromaticContact CZ-CG 3.49Å; F184-F311 HydrophobicContact CZ-CG 3.49Å; F184-F311 VanDerWaalsContact CZ-CG 3.49Å; F184-F311 HydrophobicContact CZ-CZ 4.48Å
185M94.5Very high86.3Confident0 Ų053.7 Ų53.70%025%0.246CC..  trans-68.2144.9179.7-67.3177.948.200112.8T116 D183 E187 V302T116-M185 WeakPolarHBondContact CB-SD 3.37Å; T116-M185 HydrophobicContact CG2-CE 4.23Å; T116-M185 HydrophobicContact CG2-SD 3.65Å; T116-M185 PolarHBondContact OG1-SD 3.15Å; T116-M185 VanDerWaalsContact OG1-SD 3.33Å; D183-M185 VanDerWaalsContact C-N 3.32Å; D183-M185 PolarHBondContact O-N 3.4Å; D183-M185 WeakPolarHBondContact OD1-CB 3.44Å; D183-M185 WeakPolarHBondContact OD1-CG 3.49Å; D183-M185 PolarHBondContact OD1-N 3.29Å; M185-E187 HydrophobicContact CE-CG 3.83Å; M185-E187 WeakPolarHBondContact CE-O 3.27Å; M185-V302 HydrophobicContact CE-CG2 3.9Å; M185-V302 HydrophobicContact CG-CG2 3.75Å; M185-V302 HydrophobicContact SD-CB 4.47Å; M185-V302 HydrophobicContact SD-CG2 3.9Å
186L92.8Very high85.2Confident13 Ų1352.5 Ų52.57%0.06825%0.248CC..SBendtrans-86.8-22.5174.4-64.5169.7000111.2P218 F240 W242 V247 E248 V249L186-P218 HydrophobicContact CD2-CB 3.83Å; L186-F240 HydrophobicContact CD1-CE1 4.19Å; L186-F240 HydrophobicContact CD1-CE2 4.44Å; L186-F240 HydrophobicContact CD1-CZ 3.64Å; L186-F240 HydrophobicContact CD2-CE1 4.12Å; L186-F240 HydrophobicContact CD2-CZ 4.39Å; L186-W242 HydrophobicContact CD2-CZ3 3.81Å; L186-V247 HydrophobicContact CD1-CG2 4.45Å; L186-V247 HydrophobicContact CD2-CG1 4.46Å; L186-E248 PolarHBondContact O-N 3.17Å; L186-V249 WeakPolarHBondContact O-CB 3.31Å; L186-V249 WeakPolarHBondContact O-CG2 3.41Å; L186-V249 PolarHBondContact O-N 3.32Å
187E89.6Confident84.4Confident15 Ų1554 Ų547%0.0726%0.256CS..SBendtrans-111.8151.4-175.659-86.6-126.700111.5M185 R189 K190M185-E187 HydrophobicContact CE-CG 3.83Å; M185-E187 WeakPolarHBondContact CE-O 3.27Å; E187-R189 VanDerWaalsContact C-N 3.31Å; E187-R189 WeakPolarHBondContact CG-O 3.4Å; E187-K190 HydrophobicContact CG-CD 4.35Å; E187-K190 WeakPolarHBondContact OE1-CD 3.12Å; E187-K190 WeakPolarHBondContact OE1-CE 3.28Å; E187-K190 IonicContact OE1-NZ 3.01Å; E187-K190 PolarHBondContact OE1-NZ 3Å
188Y86Confident83.7Confident84 Ų8452.3 Ų52.333%0.32925%0.247SC..SBendtrans-75.8-26.6170.4-66.5-71.2000111.8S200 K202 V203 E248 V249Y188-S200 PolarHBondContact O-N 2.82Å; Y188-K202 HydrophobicContact CD1-CB 4.08Å; Y188-K202 HydrophobicContact CD1-CD 4.25Å; Y188-K202 HydrophobicContact CE1-CB 4.29Å; Y188-K202 HydrophobicContact CE1-CD 4.29Å; Y188-V203 HydrophobicContact CD1-CG1 3.47Å; Y188-V203 VanDerWaalsContact CD1-CG1 3.47Å; Y188-V203 HydrophobicContact CE1-CG1 4.25Å; Y188-V203 HydrophobicContact CG-CG1 3.78Å; Y188-E248 HydrophobicContact CD2-CB 3.69Å; Y188-E248 WeakPolarHBondContact CD2-OE2 3.36Å; Y188-E248 HydrophobicContact CE2-CB 3.79Å; Y188-E248 PolarHBondContact N-OE2 2.95Å; Y188-V249 HydrophobicContact CD1-CG2 3.94Å; Y188-V249 HydrophobicContact CD2-CG2 4.4Å; Y188-V249 HydrophobicContact CE1-CG2 3.91Å; Y188-V249 HydrophobicContact CE2-CG2 4.36Å; Y188-V249 HydrophobicContact CG-CG2 4.2Å
189R83.4Confident82.9Confident108 Ų10852.6 Ų52.641%0.40825%0.249SC..SBendtrans-144.4134.5-179.8-62.2-176.6-176.9-176.9-0.6109.7E187 I191 S198 V203E187-R189 VanDerWaalsContact C-N 3.31Å; E187-R189 WeakPolarHBondContact CG-O 3.4Å; R189-I191 PolarHBondContact O-N 3.36Å; R189-S198 WeakPolarHBondContact CA-O 3.39Å; R189-S198 VanDerWaalsContact CB-O 3.23Å; R189-S198 WeakPolarHBondContact CB-O 3.34Å; R189-V203 HydrophobicContact CG-CG2 4.41Å
190K79.5Confident82.3Confident82 Ų8251 Ų5136%0.35724%0.24SC..  trans-79.4123171.9-169.669.9174.71770109.8E187 P196 I197 S198 V302E187-K190 HydrophobicContact CG-CD 4.35Å; E187-K190 WeakPolarHBondContact OE1-CD 3.12Å; E187-K190 WeakPolarHBondContact OE1-CE 3.28Å; E187-K190 IonicContact OE1-NZ 3.01Å; E187-K190 PolarHBondContact OE1-NZ 3Å; K190-P196 CarbonylContact O-C 3.54Å; K190-P196 WeakPolarHBondContact O-CA 3.25Å; K190-I197 HydrophobicContact CB-CD1 4.4Å; K190-I197 HydrophobicContact CB-CG1 3.96Å; K190-I197 HydrophobicContact CG-CD1 4Å; K190-I197 HydrophobicContact CG-CG1 4.03Å; K190-I197 VanDerWaalsContact O-CG1 3.27Å; K190-I197 WeakPolarHBondContact O-CG1 3.34Å; K190-I197 PolarHBondContact O-N 3.41Å; K190-S198 WeakPolarHBondContact CB-OG 3.45Å; K190-S198 PolarHBondContact N-O 3.48Å; K190-S198 PolarHBondContact N-OG 2.96Å; K190-S198 VanDerWaalsContact N-OG 3.14Å; K190-V302 HydrophobicContact CB-CG1 4.02Å; K190-V302 HydrophobicContact CD-CG1 4.28Å; K190-V302 HydrophobicContact CD-CG2 4.33Å; K190-V302 HydrophobicContact CG-CG1 4.02Å
191I70.1Confident81.7Confident100 Ų10050.3 Ų50.351%0.51324%0.237SC..EExtended strand (participates in β ladder)trans-98127.7170.7-57.9178.6000108.8R189 V195R189-I191 PolarHBondContact O-N 3.36Å; I191-V195 CarbonylContact C-O 3.59Å; I191-V195 WeakPolarHBondContact CA-O 3.3Å
192K64.3Low80.8Confident139 Ų13952.3 Ų52.360%0.60425%0.246SC*.EExtended strand (participates in β ladder)trans-128.9129.4169.7-170.4176-178.8-176.40108.3W194 V195 I197K192-W194 PolarHBondContact O-N 3.38Å; K192-V195 PolarHBondContact N-O 3.29Å; K192-V195 PolarHBondContact O-N 2.89Å; K192-I197 HydrophobicContact CB-CD1 3.71Å; K192-I197 HydrophobicContact CB-CG1 4.14Å; K192-I197 HydrophobicContact CB-CG2 4.13Å; K192-I197 HydrophobicContact CD-CD1 4.22Å
193C67.9Low80Confident106 Ų10654.4 Ų54.472%0.71626%0.259SS*.THydrogen-bonded Turntrans49.545.8-175.6-55.50000112.6V195C193-V195 PolarHBondContact O-N 3.46Å
194W63.4Low79.3Confident247 Ų24755.5 Ų55.594%0.93626%0.264SS*.THydrogen-bonded Turntrans67.27.4-178.5-49.798.8000116.4K192K192-W194 PolarHBondContact O-N 3.38Å
195V58.4Low78.3Confident51 Ų5163.9 Ų63.931%0.30930%0.303SS..EExtended strand (participates in β ladder)trans-113.6131.7178.6-172.40000111.3L121 I191 K192 C193 I197L121-V195 HydrophobicContact CB-CG1 3.9Å; L121-V195 HydrophobicContact CD2-CB 3.93Å; L121-V195 HydrophobicContact CD2-CG1 3.24Å; L121-V195 HydrophobicContact CD2-CG2 4.11Å; L121-V195 HydrophobicContact CG-CG1 4.1Å; I191-V195 CarbonylContact C-O 3.59Å; I191-V195 WeakPolarHBondContact CA-O 3.3Å; K192-V195 PolarHBondContact N-O 3.29Å; K192-V195 PolarHBondContact O-N 2.89Å; C193-V195 PolarHBondContact O-N 3.46Å; V195-I197 PolarHBondContact O-N 3.2Å; V195-I197 VanDerWaalsContact O-N 3.11Å
196P71.9Confident77.8Confident56 Ų5668.5 Ų68.536%0.36433%0.325SS..EExtended strand (participates in β ladder)trans-65.1108.516826.6-35.6000110.6K190K190-P196 CarbonylContact O-C 3.54Å; K190-P196 WeakPolarHBondContact O-CA 3.25Å
197I76.7Confident77.5Confident33 Ų3368.9 Ų68.917%0.16933%0.332CS..  trans-93.4-17177.757.3163.5000112.5G119 E122 K190 K192 V195G119-I197 PolarHBondContact N-O 2.89Å; E122-I197 HydrophobicContact CB-CB 4.36Å; E122-I197 WeakPolarHBondContact CB-O 3.37Å; K190-I197 HydrophobicContact CB-CD1 4.4Å; K190-I197 HydrophobicContact CB-CG1 3.96Å; K190-I197 HydrophobicContact CG-CD1 4Å; K190-I197 HydrophobicContact CG-CG1 4.03Å; K190-I197 VanDerWaalsContact O-CG1 3.27Å; K190-I197 WeakPolarHBondContact O-CG1 3.34Å; K190-I197 PolarHBondContact O-N 3.41Å; K192-I197 HydrophobicContact CB-CD1 3.71Å; K192-I197 HydrophobicContact CB-CG1 4.14Å; K192-I197 HydrophobicContact CB-CG2 4.13Å; K192-I197 HydrophobicContact CD-CD1 4.22Å; V195-I197 PolarHBondContact O-N 3.2Å; V195-I197 VanDerWaalsContact O-N 3.11Å
198S79.6Confident77.5Confident1 Ų169.5 Ų69.51%0.00733%0.334CS..EExtended strand (participates in β ladder)trans-144.8161.5-179.188.90000112.2C95 T116 L117 R189 K190C95-S198 WeakPolarHBondContact SG-CB 3.34Å; T116-S198 WeakPolarHBondContact CG2-OG 3.47Å; L117-S198 CarbonylContact O-C 3.52Å; L117-S198 VanDerWaalsContact O-CA 3.3Å; L117-S198 WeakPolarHBondContact O-CA 3.47Å; L117-S198 WeakPolarHBondContact O-CB 3.37Å; R189-S198 WeakPolarHBondContact CA-O 3.39Å; R189-S198 VanDerWaalsContact CB-O 3.23Å; R189-S198 WeakPolarHBondContact CB-O 3.34Å; K190-S198 WeakPolarHBondContact CB-OG 3.45Å; K190-S198 PolarHBondContact N-O 3.48Å; K190-S198 PolarHBondContact N-OG 2.96Å; K190-S198 VanDerWaalsContact N-OG 3.14Å
199S79.2Confident77.9Confident13 Ų1365.7 Ų65.79%0.09132%0.319CS..EExtended strand (participates in β ladder)trans-140.3138.5172.957.80000111T116 L117 R166T116-S199 PolarHBondContact OG1-O 3.42Å; T116-S199 VanDerWaalsContact OG1-O 3.05Å; L117-S199 WeakPolarHBondContact CA-O 3.48Å; L117-S199 WeakPolarHBondContact CB-O 3.16Å; L117-S199 PolarHBondContact N-O 3.42Å; L117-S199 PolarHBondContact O-N 3.06Å; R166-S199 PolarHBondContact NH2-OG 3.43Å; R166-S199 VanDerWaalsContact NH2-OG 3.15Å
200S83.9Confident78.3Confident0 Ų066.9 Ų66.90%033%0.333CS..  trans-75.7149.5170.2173.10000111.3D183 Y188 K202 V203D183-S200 WeakPolarHBondContact OD2-CB 3.12Å; D183-S200 PolarHBondContact OD2-OG 3.43Å; Y188-S200 PolarHBondContact O-N 2.82Å; S200-K202 PolarHBondContact O-N 3.2Å; S200-K202 VanDerWaalsContact O-N 3.14Å; S200-K202 WeakPolarHBondContact OG-CB 3.3Å; S200-K202 VanDerWaalsContact OG-CD 3.26Å; S200-K202 WeakPolarHBondContact OG-CD 3.12Å; S200-K202 WeakPolarHBondContact OG-CG 3.16Å; S200-K202 PolarHBondContact OG-N 3.3Å; S200-K202 VanDerWaalsContact OG-N 3.12Å; S200-V203 VanDerWaalsContact O-CG2 3.27Å; S200-V203 WeakPolarHBondContact O-CG2 3.33Å; S200-V203 PolarHBondContact O-N 3.42Å
201E85.4Confident78.9Confident8 Ų868.7 Ų68.74%0.03735%0.347CS..G310 helixtrans-50-30.8167-64.788.4150.700111.6R94 L117 I181 V203 D204 Y209 V214 H300R94-E201 IonicContact CZ-OE1 2.75Å; R94-E201 VanDerWaalsContact CZ-OE1 3.22Å; R94-E201 IonicContact NH1-OE1 2.99Å; R94-E201 PolarHBondContact NH1-OE1 2.88Å; R94-E201 IonicContact NH2-OE1 2.61Å; R94-E201 PolarHBondContact NH2-OE1 2.98Å; L117-E201 HydrophobicContact CD1-CG 4.16Å; L117-E201 HydrophobicContact CG-CG 4.29Å; I181-E201 HydrophobicContact CD1-CG 4.49Å; I181-E201 HydrophobicContact CG2-CG 4.47Å; E201-V203 PolarHBondContact O-N 3.46Å; E201-D204 PolarHBondContact O-N 3.21Å; E201-D204 VanDerWaalsContact O-N 3.16Å; E201-Y209 HydrophobicContact CB-CD1 4.36Å; E201-Y209 HydrophobicContact CB-CD2 4.24Å; E201-Y209 HydrophobicContact CB-CG 4.01Å; E201-Y209 HydrophobicContact CG-CD1 3.71Å; E201-Y209 HydrophobicContact CG-CD2 4.13Å; E201-Y209 HydrophobicContact CG-CE1 3.91Å; E201-Y209 HydrophobicContact CG-CE2 4.33Å; E201-Y209 HydrophobicContact CG-CG 3.84Å; E201-V214 HydrophobicContact CB-CG1 4.34Å; E201-V214 HydrophobicContact CB-CG2 4.27Å; E201-H300 IonicContact OE1-CD2 3.45Å; E201-H300 IonicContact OE1-CE1 3.71Å; E201-H300 IonicContact OE1-NE2 3.18Å; E201-H300 PolarHBondContact OE1-NE2 2.92Å; E201-H300 IonicContact OE2-CE1 2.85Å; E201-H300 PolarHBondContact OE2-CE1 3.46Å; E201-H300 IonicContact OE2-NE2 2.81Å; E201-H300 PolarHBondContact OE2-NE2 3.34Å
202K80.1Confident80.2Confident43 Ų4364.6 Ų64.619%0.18733%0.325CS..G310 helixtrans-53.8-26.2175.6-64.5165.2-169.7156.70113.8D183 Y188 S200 V214 P216 V249D183-K202 VanDerWaalsContact CG-CE 3.47Å; D183-K202 PolarHBondContact O-NZ 3.43Å; D183-K202 IonicContact OD1-NZ 2.82Å; D183-K202 WeakPolarHBondContact OD2-CE 3.41Å; D183-K202 IonicContact OD2-NZ 3.42Å; D183-K202 PolarHBondContact OD2-NZ 3.4Å; Y188-K202 HydrophobicContact CD1-CB 4.08Å; Y188-K202 HydrophobicContact CD1-CD 4.25Å; Y188-K202 HydrophobicContact CE1-CB 4.29Å; Y188-K202 HydrophobicContact CE1-CD 4.29Å; S200-K202 PolarHBondContact O-N 3.2Å; S200-K202 VanDerWaalsContact O-N 3.14Å; S200-K202 WeakPolarHBondContact OG-CB 3.3Å; S200-K202 VanDerWaalsContact OG-CD 3.26Å; S200-K202 WeakPolarHBondContact OG-CD 3.12Å; S200-K202 WeakPolarHBondContact OG-CG 3.16Å; S200-K202 PolarHBondContact OG-N 3.3Å; S200-K202 VanDerWaalsContact OG-N 3.12Å; K202-V214 HydrophobicContact CG-CG1 3.93Å; K202-P216 HydrophobicContact CD-CB 4.23Å; K202-P216 HydrophobicContact CD-CG 4.17Å; K202-P216 HydrophobicContact CG-CG 4.33Å; K202-V249 HydrophobicContact CD-CG1 4.35Å; K202-V249 HydrophobicContact CD-CG2 4.31Å
203V79.1Confident81.7Confident44 Ų4460.7 Ų60.727%0.26731%0.313SS..G310 helixtrans-123.324.4-175.7-66.20000112.2Y188 R189 S200 E201 Q205Y188-V203 HydrophobicContact CD1-CG1 3.47Å; Y188-V203 VanDerWaalsContact CD1-CG1 3.47Å; Y188-V203 HydrophobicContact CE1-CG1 4.25Å; Y188-V203 HydrophobicContact CG-CG1 3.78Å; R189-V203 HydrophobicContact CG-CG2 4.41Å; S200-V203 VanDerWaalsContact O-CG2 3.27Å; S200-V203 WeakPolarHBondContact O-CG2 3.33Å; S200-V203 PolarHBondContact O-N 3.42Å; E201-V203 PolarHBondContact O-N 3.46Å; V203-Q205 PolarHBondContact O-N 2.76Å
204D82Confident82.9Confident23 Ų2357 Ų5712%0.12329%0.287CS..  trans-68.1112.3172.5-172.958.4000110.8R166 E201 Q206 G207 R208 Y209R166-D204 IonicContact NH1-OD1 3.47Å; R166-D204 PolarHBondContact NH1-OD1 3.41Å; E201-D204 PolarHBondContact O-N 3.21Å; E201-D204 VanDerWaalsContact O-N 3.16Å; D204-Q206 PolarHBondContact O-N 3.19Å; D204-G207 PolarHBondContact O-N 3.02Å; D204-G207 PolarHBondContact OD2-N 3.37Å; D204-R208 VanDerWaalsContact CG-NH1 3.28Å; D204-R208 IonicContact OD1-CZ 3.57Å; D204-R208 IonicContact OD1-NH1 2.82Å; D204-R208 PolarHBondContact OD1-NH1 2.72Å; D204-R208 PolarHBondContact OD2-N 2.91Å; D204-R208 IonicContact OD2-NH1 2.85Å; D204-R208 PolarHBondContact OD2-NH1 3.22Å; D204-Y209 HydrophobicContact CB-CD2 3.83Å; D204-Y209 HydrophobicContact CB-CE2 4.27Å
205Q77.1Confident84.5Confident175 Ų17545.3 Ų45.382%0.81824%0.243SC*.THydrogen-bonded Turntrans-68.9-20.8-172.6-66.5-179.7-25.200113.6V203V203-Q205 PolarHBondContact O-N 2.76Å
206Q82.8Confident86.2Confident98 Ų9843.5 Ų43.546%0.45823%0.232SC..THydrogen-bonded Turntrans-91.8-5.7179.6-68.8-170200112.6E163 D204 R208E163-Q206 PolarHBondContact OE1-NE2 2.81Å; E163-Q206 VanDerWaalsContact OE1-NE2 3.15Å; E163-Q206 PolarHBondContact OE2-NE2 3Å; D204-Q206 PolarHBondContact O-N 3.19Å; Q206-R208 HydrophobicContact CB-CG 3.97Å; Q206-R208 PolarHBondContact O-N 3.22Å
207G86.2Confident87.4Confident20 Ų2040.8 Ų40.821%0.20622%0.215CC..  trans64.625.1-179.200000113.5D204 Y209 N210D204-G207 PolarHBondContact O-N 3.02Å; D204-G207 PolarHBondContact OD2-N 3.37Å; G207-Y209 PolarHBondContact O-N 3.1Å; G207-N210 WeakPolarHBondContact CA-ND2 3.15Å; G207-N210 VanDerWaalsContact O-CB 3.22Å; G207-N210 WeakPolarHBondContact O-CB 3.34Å; G207-N210 PolarHBondContact O-N 3.45Å; G207-N210 VanDerWaalsContact O-N 3.09Å; G207-N210 PolarHBondContact O-ND2 3.25Å
208R91.1Very high88.4Confident28 Ų2839.2 Ų39.211%0.10621%0.207CC..G310 helixtrans-61.2-31.1-177.5-60.8-176.2-156.188.71.3112.4D167 D204 Q206 N210D167-R208 VanDerWaalsContact OD1-CD 3.26Å; D167-R208 WeakPolarHBondContact OD1-CD 3.41Å; D167-R208 IonicContact OD1-NE 3.58Å; D204-R208 VanDerWaalsContact CG-NH1 3.28Å; D204-R208 IonicContact OD1-CZ 3.57Å; D204-R208 IonicContact OD1-NH1 2.82Å; D204-R208 PolarHBondContact OD1-NH1 2.72Å; D204-R208 PolarHBondContact OD2-N 2.91Å; D204-R208 IonicContact OD2-NH1 2.85Å; D204-R208 PolarHBondContact OD2-NH1 3.22Å; Q206-R208 HydrophobicContact CB-CG 3.97Å; Q206-R208 PolarHBondContact O-N 3.22Å; R208-N210 VanDerWaalsContact C-N 3.32Å
209Y94.2Very high89.2Confident4 Ų439.2 Ų39.22%0.01621%0.206CC..G310 helixtrans-89.86.9-178.4-59.2-88.9000113.3L117 D169 C170 I173 I181 E201 D204 G207 D211 F212L117-Y209 HydrophobicContact CD1-CD2 4.44Å; L117-Y209 HydrophobicContact CD1-CE2 3.59Å; L117-Y209 HydrophobicContact CD2-CE1 4.4Å; L117-Y209 HydrophobicContact CD2-CE2 4.4Å; L117-Y209 WeakPolarHBondContact CD2-OH 3.07Å; D169-Y209 PolarHBondContact OD2-OH 3.46Å; C170-Y209 VanDerWaalsContact SG-CE1 3.53Å; I173-Y209 HydrophobicContact CD1-CD1 4.4Å; I173-Y209 HydrophobicContact CD1-CE1 4.02Å; I181-Y209 HydrophobicContact CD1-CD1 3.98Å; E201-Y209 HydrophobicContact CB-CD1 4.36Å; E201-Y209 HydrophobicContact CB-CD2 4.24Å; E201-Y209 HydrophobicContact CB-CG 4.01Å; E201-Y209 HydrophobicContact CG-CD1 3.71Å; E201-Y209 HydrophobicContact CG-CD2 4.13Å; E201-Y209 HydrophobicContact CG-CE1 3.91Å; E201-Y209 HydrophobicContact CG-CE2 4.33Å; E201-Y209 HydrophobicContact CG-CG 3.84Å; D204-Y209 HydrophobicContact CB-CD2 3.83Å; D204-Y209 HydrophobicContact CB-CE2 4.27Å; G207-Y209 PolarHBondContact O-N 3.1Å; Y209-D211 PolarHBondContact O-N 2.81Å; Y209-F212 HydrophobicContact CD1-CD2 4.18Å; Y209-F212 HydrophobicContact CD1-CE2 4.28Å; Y209-F212 PolarHBondContact O-N 3.41Å
210N91.7Very high90Very high133 Ų13338.6 Ų38.671%0.71120%0.202SC*.G310 helixtrans-68.2-18.9-178.9-71-10.7000113.5G207 R208 F212G207-N210 WeakPolarHBondContact CA-ND2 3.15Å; G207-N210 VanDerWaalsContact O-CB 3.22Å; G207-N210 WeakPolarHBondContact O-CB 3.34Å; G207-N210 PolarHBondContact O-N 3.45Å; G207-N210 VanDerWaalsContact O-N 3.09Å; G207-N210 PolarHBondContact O-ND2 3.25Å; R208-N210 VanDerWaalsContact C-N 3.32Å; N210-F212 PolarHBondContact O-N 3.02Å
211D92.7Very high90.5Very high120 Ų12038.7 Ų38.764%0.64220%0.203SC*.G310 helixtrans-70.3-12.3172.7-68.2-13.1000112.3R174 Y209R174-D211 IonicContact NE-OD2 2.73Å; Y209-D211 PolarHBondContact O-N 2.81Å
212F95.9Very high90.9Very high15 Ų1538.7 Ų38.77%0.06620%0.204CC..SBendtrans-110.1155.3178-47.7-74.5000111C170 I173 R174 V178 I181 Y209 N210 V214C170-F212 HydrophobicContact CB-CE2 4.26Å; I173-F212 HydrophobicContact CB-CE1 4Å; I173-F212 HydrophobicContact CB-CE2 4.4Å; I173-F212 HydrophobicContact CB-CZ 3.73Å; I173-F212 HydrophobicContact CG2-CD1 3.78Å; I173-F212 HydrophobicContact CG2-CE1 3.27Å; I173-F212 HydrophobicContact CG2-CE2 4.13Å; I173-F212 HydrophobicContact CG2-CG 4.39Å; I173-F212 HydrophobicContact CG2-CZ 3.47Å; I173-F212 VanDerWaalsContact CG2-CZ 3.47Å; R174-F212 HydrophobicContact CG-CE1 3.88Å; R174-F212 HydrophobicContact CG-CZ 3.93Å; V178-F212 WeakPolarHBondContact O-CD1 3.46Å; I181-F212 HydrophobicContact CD1-CB 3.75Å; I181-F212 HydrophobicContact CD1-CD2 3.82Å; I181-F212 HydrophobicContact CD1-CG 3.84Å; I181-F212 HydrophobicContact CG1-CB 4Å; I181-F212 HydrophobicContact CG1-CG 4.35Å; Y209-F212 HydrophobicContact CD1-CD2 4.18Å; Y209-F212 HydrophobicContact CD1-CE2 4.28Å; Y209-F212 PolarHBondContact O-N 3.41Å; N210-F212 PolarHBondContact O-N 3.02Å; F212-V214 PolarHBondContact O-N 3.13Å
213V95.6Very high91.6Very high56 Ų5640 Ų4034%0.33921%0.211SC..EExtended strand (participates in β ladder)trans-86.397.3170.6-176.30000108.2T179 Y180 I181 I215 P257T179-V213 HydrophobicContact CG2-CG2 4.41Å; T179-V213 PolarHBondContact O-N 3.47Å; Y180-V213 WeakPolarHBondContact CA-O 3.35Å; Y180-V213 HydrophobicContact CD1-CB 3.71Å; Y180-V213 HydrophobicContact CD1-CG1 3.98Å; Y180-V213 HydrophobicContact CD1-CG2 4.21Å; Y180-V213 HydrophobicContact CE1-CB 4.14Å; Y180-V213 HydrophobicContact CE1-CG1 4.35Å; Y180-V213 HydrophobicContact CE1-CG2 4.15Å; I181-V213 PolarHBondContact N-O 2.76Å; V213-I215 HydrophobicContact CG1-CD1 4.26Å; V213-I215 HydrophobicContact CG1-CG1 3.89Å; V213-P257 HydrophobicContact CG1-CG 4.16Å
214V94.8Very high92.4Very high30 Ų3038.1 Ų38.118%0.18220%0.199CC..EExtended strand (participates in β ladder)trans-81117.3175.3-175.80000109.6I181 E201 K202 F212 P216I181-V214 HydrophobicContact CB-CG2 4.32Å; I181-V214 HydrophobicContact CD1-CG2 4.36Å; I181-V214 CarbonylContact O-C 3.24Å; I181-V214 WeakPolarHBondContact O-CA 2.97Å; E201-V214 HydrophobicContact CB-CG1 4.34Å; E201-V214 HydrophobicContact CB-CG2 4.27Å; K202-V214 HydrophobicContact CG-CG1 3.93Å; F212-V214 PolarHBondContact O-N 3.13Å; V214-P216 WeakPolarHBondContact O-CD 3.21Å
215I95.6Very high93.2Very high0 Ų037 Ų370%019%0.193CC..EExtended strand (participates in β ladder)trans-112.2106.3-175.5-52.5-179000109.4Y180 I181 D183 V213 L217 I256 P257 L285 L289Y180-I215 HydrophobicContact CD1-CD1 4.04Å; I181-I215 PolarHBondContact O-N 3.41Å; D183-I215 PolarHBondContact N-O 3.06Å; V213-I215 HydrophobicContact CG1-CD1 4.26Å; V213-I215 HydrophobicContact CG1-CG1 3.89Å; I215-L217 HydrophobicContact CG2-CD1 4.31Å; I215-L217 HydrophobicContact CG2-CD2 3.89Å; I215-L217 HydrophobicContact CG2-CG 3.84Å; I215-L217 PolarHBondContact O-N 3.07Å; I215-I256 HydrophobicContact CG2-CD1 3.4Å; I215-P257 HydrophobicContact CD1-CG 4.11Å; I215-L285 HydrophobicContact CG2-CD2 4.11Å; I215-L289 HydrophobicContact CD1-CD1 3.51Å
216P95Very high94.2Very high13 Ų1332.3 Ų32.38%0.08417%0.168CC..EExtended strand (participates in β ladder)trans-68.8114.5172-17.832000111.3K202 V214 P218 V249K202-P216 HydrophobicContact CD-CB 4.23Å; K202-P216 HydrophobicContact CD-CG 4.17Å; K202-P216 HydrophobicContact CG-CG 4.33Å; V214-P216 WeakPolarHBondContact O-CD 3.21Å; P216-P218 VanDerWaalsContact C-CD 3.48Å; P216-P218 WeakPolarHBondContact O-CD 3.2Å; P216-V249 HydrophobicContact CB-CG1 3.71Å
217L96.7Very high94.8Very high0 Ų029.2 Ų29.20%015%0.154CC..  trans-124.263.3177.5-65.7-180000110C182 D183 F184 I215 Y219 I256 Y282 L285 L286C182-L217 HydrophobicContact CB-CD1 4.15Å; D183-L217 CarbonylContact O-C 3.45Å; D183-L217 PolarHBondContact O-N 2.91Å; F184-L217 VanDerWaalsContact CA-O 3.3Å; F184-L217 WeakPolarHBondContact CA-O 3.4Å; F184-L217 HydrophobicContact CD1-CB 3.87Å; F184-L217 WeakPolarHBondContact CD1-O 3.47Å; F184-L217 HydrophobicContact CE1-CB 4.06Å; F184-L217 HydrophobicContact CE1-CD1 4.05Å; I215-L217 HydrophobicContact CG2-CD1 4.31Å; I215-L217 HydrophobicContact CG2-CD2 3.89Å; I215-L217 HydrophobicContact CG2-CG 3.84Å; I215-L217 PolarHBondContact O-N 3.07Å; L217-Y219 PolarHBondContact O-N 3.01Å; L217-I256 HydrophobicContact CD2-CD1 4.3Å; L217-Y282 HydrophobicContact CB-CD2 4Å; L217-Y282 HydrophobicContact CB-CE1 4.44Å; L217-Y282 HydrophobicContact CB-CE2 3.65Å; L217-Y282 HydrophobicContact CD2-CD1 3.99Å; L217-Y282 HydrophobicContact CD2-CE1 3.78Å; L217-Y282 HydrophobicContact CD2-CE2 4.48Å; L217-Y282 HydrophobicContact CD2-CG 4.41Å; L217-Y282 VanDerWaalsContact O-CE2 3.28Å; L217-Y282 WeakPolarHBondContact O-CE2 3.49Å; L217-L285 HydrophobicContact CD1-CD2 4.15Å; L217-L285 HydrophobicContact CD2-CD2 3.86Å; L217-L286 HydrophobicContact CD1-CD2 4.26Å
218P96.4Very high95.4Very high0 Ų028.3 Ų28.30%014%0.144CC..  trans-52.6128.1-176.125.9-36.1000110.5L186 P216 W242 V249 V251 Y270 Y282L186-P218 HydrophobicContact CD2-CB 3.83Å; P216-P218 VanDerWaalsContact C-CD 3.48Å; P216-P218 WeakPolarHBondContact O-CD 3.2Å; P218-W242 HydrophobicContact CB-CH2 4.46Å; P218-W242 HydrophobicContact CB-CZ3 3.98Å; P218-W242 HydrophobicContact CG-CZ3 4.22Å; P218-W242 WeakPolarHBondContact O-CH2 3.4Å; P218-V249 HydrophobicContact CB-CB 4.47Å; P218-V249 HydrophobicContact CB-CG1 4.28Å; P218-V249 HydrophobicContact CG-CG1 4.31Å; P218-V251 HydrophobicContact CG-CG2 3.96Å; P218-Y270 HydrophobicContact CG-CE2 4.04Å; P218-Y282 WeakPolarHBondContact O-CE2 3.48Å; P218-Y282 PolarHBondContact O-OH 2.84Å
219Y97.9Very high95.7Very high0 Ų030.4 Ų30.40%015%0.152CC..  trans-139.1144.2-175.8-168.2-90.6000110.4F184 L217 F225 I275 I278 T279 Y282 R307 L310 F311F184-Y219 PolarHBondContact O-N 3.47Å; L217-Y219 PolarHBondContact O-N 3.01Å; Y219-F225 HydrophobicContact CE1-CE2 4.37Å; Y219-F225 AromaticContact CE1-CZ 3.87Å; Y219-F225 HydrophobicContact CE1-CZ 3.87Å; Y219-I275 HydrophobicContact CE1-CD1 4.34Å; Y219-I275 HydrophobicContact CE2-CD1 4.08Å; Y219-I275 WeakPolarHBondContact OH-CD1 3.46Å; Y219-I278 HydrophobicContact CD2-CG1 4.44Å; Y219-I278 HydrophobicContact CD2-CG2 4.4Å; Y219-I278 HydrophobicContact CE2-CG2 4Å; Y219-T279 WeakPolarHBondContact CE2-OG1 3.39Å; Y219-T279 PolarHBondContact OH-OG1 3.46Å; Y219-Y282 AromaticContact CD2-CD2 3.98Å; Y219-Y282 HydrophobicContact CD2-CD2 3.98Å; Y219-Y282 AromaticContact CD2-CE2 3.99Å; Y219-Y282 HydrophobicContact CD2-CE2 3.99Å; Y219-R307 HydrophobicContact CD1-CG 3.81Å; Y219-R307 HydrophobicContact CE1-CG 4.49Å; Y219-R307 WeakPolarHBondContact O-CD 3.2Å; Y219-R307 PolarHBondContact O-NH1 3.48Å; Y219-L310 HydrophobicContact CE1-CD2 3.56Å; Y219-F311 HydrophobicContact CD1-CE2 4.16Å; Y219-F311 AromaticContact CD2-CE2 3.99Å; Y219-F311 HydrophobicContact CD2-CE2 3.99Å; Y219-F311 AromaticContact CD2-CZ 3.68Å; Y219-F311 HydrophobicContact CD2-CZ 3.68Å; Y219-F311 HydrophobicContact CE1-CE2 4.36Å; Y219-F311 HydrophobicContact CE2-CE2 4.22Å; Y219-F311 AromaticContact CE2-CZ 3.71Å; Y219-F311 HydrophobicContact CE2-CZ 3.71Å; Y219-F311 AromaticContact CG-CE2 3.95Å; Y219-F311 HydrophobicContact CG-CE2 3.95Å; Y219-F311 HydrophobicContact CG-CZ 4.14Å
220P96.2Very high95.8Very high1 Ų134.4 Ų34.41%0.00617%0.174CC..  trans-53.9140.1-176.4-28.337000114F224 F240 I275 R307P220-F224 HydrophobicContact CB-CB 3.5Å; P220-F224 HydrophobicContact CB-CD1 3.65Å; P220-F224 HydrophobicContact CB-CD2 4.29Å; P220-F224 HydrophobicContact CB-CE1 4.43Å; P220-F224 HydrophobicContact CB-CG 3.54Å; P220-F224 HydrophobicContact CG-CD1 4.09Å; P220-F224 HydrophobicContact CG-CE1 4.41Å; P220-F224 HydrophobicContact CG-CG 4.22Å; P220-F240 HydrophobicContact CB-CD2 3.59Å; P220-F240 HydrophobicContact CB-CE2 3.96Å; P220-F240 HydrophobicContact CB-CG 4.21Å; P220-F240 HydrophobicContact CG-CB 3.72Å; P220-F240 HydrophobicContact CG-CD1 4.46Å; P220-F240 HydrophobicContact CG-CD2 3.59Å; P220-F240 HydrophobicContact CG-CE2 4.31Å; P220-F240 HydrophobicContact CG-CG 3.67Å; P220-I275 HydrophobicContact CG-CD1 3.99Å; P220-R307 VanDerWaalsContact O-CD 3.3Å; P220-R307 WeakPolarHBondContact O-CD 3.45Å
221G93.1Very high96.1Very high1 Ų130 Ų301%0.0115%0.153CC..  trans-71.2177.8175.400000113E223 F224 F225G221-E223 WeakPolarHBondContact CA-OE1 3.41Å; G221-E223 VanDerWaalsContact CA-OE2 3.29Å; G221-E223 WeakPolarHBondContact CA-OE2 3.31Å; G221-E223 PolarHBondContact N-OE1 3Å; G221-E223 PolarHBondContact O-N 2.58Å; G221-F224 WeakPolarHBondContact O-CB 3.48Å; G221-F224 PolarHBondContact O-N 2.98Å; G221-F224 VanDerWaalsContact O-N 3.13Å; G221-F225 WeakPolarHBondContact O-CD2 3.44Å
222S94.5Very high96.3Very high9 Ų927 Ų276%0.06315%0.151CC..THydrogen-bonded Turntrans-60.7-31.5-178.260.20000112.2F224 F225 R353 E358S222-F224 PolarHBondContact O-N 3.19Å; S222-F225 WeakPolarHBondContact O-CB 3.37Å; S222-F225 PolarHBondContact O-N 3.17Å; S222-R353 PolarHBondContact OG-NE 3.48Å; S222-R353 PolarHBondContact OG-NH1 3.06Å; S222-E358 VanDerWaalsContact CB-OE2 3.23Å; S222-E358 WeakPolarHBondContact CB-OE2 3.31Å; S222-E358 WeakPolarHBondContact O-CB 3.39Å; S222-E358 WeakPolarHBondContact O-CG 3.22Å; S222-E358 PolarHBondContact OG-OE2 3.05Å
223E94.2Very high96.4Very high71 Ų7129.7 Ų29.733%0.33216%0.161SC..THydrogen-bonded Turntrans-59.6-27.4177.969.9-72.9169.900113.6G221 F225 R226G221-E223 WeakPolarHBondContact CA-OE1 3.41Å; G221-E223 VanDerWaalsContact CA-OE2 3.29Å; G221-E223 WeakPolarHBondContact CA-OE2 3.31Å; G221-E223 PolarHBondContact N-OE1 3Å; G221-E223 PolarHBondContact O-N 2.58Å; E223-F225 VanDerWaalsContact C-N 3.28Å; E223-F225 PolarHBondContact O-N 3.3Å; E223-R226 PolarHBondContact O-N 3.28Å
224F97Very high96.5Very high3 Ų328.8 Ų28.81%0.01316%0.159CC..Hα-helixtrans-69.2-29.1176.4178.9-101000112.1P220 G221 S222 R226 I227 W228 V238 Y239 F240 I275P220-F224 HydrophobicContact CB-CB 3.5Å; P220-F224 HydrophobicContact CB-CD1 3.65Å; P220-F224 HydrophobicContact CB-CD2 4.29Å; P220-F224 HydrophobicContact CB-CE1 4.43Å; P220-F224 HydrophobicContact CB-CG 3.54Å; P220-F224 HydrophobicContact CG-CD1 4.09Å; P220-F224 HydrophobicContact CG-CE1 4.41Å; P220-F224 HydrophobicContact CG-CG 4.22Å; G221-F224 WeakPolarHBondContact O-CB 3.48Å; G221-F224 PolarHBondContact O-N 2.98Å; G221-F224 VanDerWaalsContact O-N 3.13Å; S222-F224 PolarHBondContact O-N 3.19Å; F224-R226 PolarHBondContact O-N 3.43Å; F224-I227 HydrophobicContact CD2-CB 4.43Å; F224-I227 HydrophobicContact CD2-CD1 4.19Å; F224-I227 WeakPolarHBondContact O-CA 3.36Å; F224-I227 VanDerWaalsContact O-CB 3.31Å; F224-I227 WeakPolarHBondContact O-CB 3.24Å; F224-I227 PolarHBondContact O-N 3.32Å; F224-W228 PolarHBondContact O-N 3.46Å; F224-V238 HydrophobicContact CE1-CG1 4.43Å; F224-V238 HydrophobicContact CE2-CG1 4.46Å; F224-V238 HydrophobicContact CZ-CG1 3.79Å; F224-Y239 WeakPolarHBondContact CE2-O 3.41Å; F224-F240 HydrophobicContact CB-CD2 4.39Å; F224-F240 HydrophobicContact CD2-CB 4.41Å; F224-F240 AromaticContact CD2-CD2 3.6Å; F224-F240 HydrophobicContact CD2-CD2 3.6Å; F224-F240 HydrophobicContact CD2-CE2 4.43Å; F224-F240 HydrophobicContact CD2-CG 4.49Å; F224-F240 HydrophobicContact CE2-CB 4.03Å; F224-F240 HydrophobicContact CE2-CD2 4.07Å; F224-F240 HydrophobicContact CG-CD2 4.1Å; F224-F240 HydrophobicContact CZ-CB 4.42Å; F224-I275 HydrophobicContact CD1-CD1 4.11Å; F224-I275 HydrophobicContact CD1-CG1 4.49Å; F224-I275 HydrophobicContact CE1-CB 3.85Å; F224-I275 HydrophobicContact CE1-CD1 3.63Å; F224-I275 HydrophobicContact CE1-CG1 3.73Å; F224-I275 HydrophobicContact CZ-CB 4.27Å
225F98.1Very high96.5Very high0 Ų027.8 Ų27.80%015%0.153CC..Hα-helixtrans-72.4-13.1-179.1-65.1-79.6000113.2Y219 G221 S222 E223 W228 R229 I360 F363Y219-F225 HydrophobicContact CE1-CE2 4.37Å; Y219-F225 AromaticContact CE1-CZ 3.87Å; Y219-F225 HydrophobicContact CE1-CZ 3.87Å; G221-F225 WeakPolarHBondContact O-CD2 3.44Å; S222-F225 WeakPolarHBondContact O-CB 3.37Å; S222-F225 PolarHBondContact O-N 3.17Å; E223-F225 VanDerWaalsContact C-N 3.28Å; E223-F225 PolarHBondContact O-N 3.3Å; F225-W228 HydrophobicContact CD1-CE3 4.47Å; F225-R229 WeakPolarHBondContact O-CB 3.46Å; F225-R229 PolarHBondContact O-N 2.94Å; F225-I360 HydrophobicContact CB-CB 4.21Å; F225-I360 HydrophobicContact CD1-CB 4.34Å; F225-I360 HydrophobicContact CD1-CG1 4.28Å; F225-I360 HydrophobicContact CD2-CB 3.62Å; F225-I360 HydrophobicContact CD2-CD1 3.79Å; F225-I360 HydrophobicContact CD2-CG1 3.62Å; F225-I360 HydrophobicContact CE1-CG1 4.21Å; F225-I360 HydrophobicContact CE2-CB 4.09Å; F225-I360 HydrophobicContact CE2-CD1 3.41Å; F225-I360 VanDerWaalsContact CE2-CD1 3.41Å; F225-I360 HydrophobicContact CE2-CG1 3.51Å; F225-I360 HydrophobicContact CG-CB 3.75Å; F225-I360 HydrophobicContact CG-CG1 4Å; F225-I360 HydrophobicContact CZ-CD1 4.02Å; F225-I360 HydrophobicContact CZ-CG1 3.82Å; F225-F363 HydrophobicContact CD1-CB 3.55Å; F225-F363 HydrophobicContact CD1-CD1 4.03Å; F225-F363 HydrophobicContact CD1-CD2 4.06Å; F225-F363 AromaticContact CD1-CG 3.6Å; F225-F363 HydrophobicContact CD1-CG 3.6Å; F225-F363 HydrophobicContact CE1-CB 3.76Å; F225-F363 AromaticContact CE1-CD1 3.29Å; F225-F363 HydrophobicContact CE1-CD1 3.29Å; F225-F363 AromaticContact CE1-CD2 3.76Å; F225-F363 HydrophobicContact CE1-CD2 3.76Å; F225-F363 AromaticContact CE1-CE1 3.75Å; F225-F363 HydrophobicContact CE1-CE1 3.75Å; F225-F363 HydrophobicContact CE1-CE2 4.17Å; F225-F363 AromaticContact CE1-CG 3.29Å; F225-F363 HydrophobicContact CE1-CG 3.29Å; F225-F363 HydrophobicContact CE1-CZ 4.17Å; F225-F363 HydrophobicContact CZ-CD1 4.03Å; F225-F363 HydrophobicContact CZ-CE1 4.28Å; F225-F363 HydrophobicContact CZ-CG 4.41Å
226R97.7Very high96.5Very high77 Ų7731.6 Ų31.629%0.29117%0.171SC..Hα-helixtrans-69.8-44162.3-174.9174.964.8-158.10.3111.9E223 F224 W228 R229 D230 L356 G357E223-R226 PolarHBondContact O-N 3.28Å; F224-R226 PolarHBondContact O-N 3.43Å; R226-W228 VanDerWaalsContact C-N 3.32Å; R226-W228 PolarHBondContact O-N 3.13Å; R226-R229 WeakPolarHBondContact O-CB 3.15Å; R226-R229 PolarHBondContact O-N 2.75Å; R226-D230 WeakPolarHBondContact O-CB 3.35Å; R226-D230 PolarHBondContact O-N 3.35Å; R226-L356 WeakPolarHBondContact CD-O 3.28Å; R226-G357 VanDerWaalsContact CA-O 3.23Å; R226-G357 WeakPolarHBondContact CA-O 3.42Å; R226-G357 WeakPolarHBondContact CB-O 3.34Å
227I96.7Very high96.6Very high33 Ų3337.6 Ų37.617%0.16920%0.197CC..Hα-helixtrans-62.4-43.1176.4-58.1173.7000110F224 D230 S231F224-I227 HydrophobicContact CD2-CB 4.43Å; F224-I227 HydrophobicContact CD2-CD1 4.19Å; F224-I227 WeakPolarHBondContact O-CA 3.36Å; F224-I227 VanDerWaalsContact O-CB 3.31Å; F224-I227 WeakPolarHBondContact O-CB 3.24Å; F224-I227 PolarHBondContact O-N 3.32Å; I227-D230 PolarHBondContact O-N 3.29Å; I227-S231 PolarHBondContact O-N 3.14Å
228W98Very high96.6Very high0 Ų038.2 Ų38.20%020%0.201CC..Hα-helixtrans-60-47.3173.9169.775000112.4F224 F225 R226 D230 S231 Y233 A234 M235 E359 R362 F363 Q366F224-W228 PolarHBondContact O-N 3.46Å; F225-W228 HydrophobicContact CD1-CE3 4.47Å; R226-W228 VanDerWaalsContact C-N 3.32Å; R226-W228 PolarHBondContact O-N 3.13Å; W228-D230 VanDerWaalsContact C-N 3.33Å; W228-D230 PolarHBondContact O-N 2.66Å; W228-S231 WeakPolarHBondContact O-CB 3.26Å; W228-S231 PolarHBondContact O-N 3.23Å; W228-S231 VanDerWaalsContact O-N 3.17Å; W228-S231 PolarHBondContact O-OG 3.38Å; W228-Y233 HydrophobicContact CD2-CD1 4.43Å; W228-Y233 HydrophobicContact CE3-CD1 4.04Å; W228-Y233 AromaticContact CH2-CD1 3.54Å; W228-Y233 HydrophobicContact CH2-CD1 3.54Å; W228-Y233 HydrophobicContact CH2-CE1 4.29Å; W228-Y233 HydrophobicContact CH2-CG 4.4Å; W228-Y233 AromaticContact CZ2-CD1 3.92Å; W228-Y233 HydrophobicContact CZ2-CD1 3.92Å; W228-Y233 HydrophobicContact CZ2-CG 4.44Å; W228-Y233 AromaticContact CZ3-CD1 3.58Å; W228-Y233 HydrophobicContact CZ3-CD1 3.58Å; W228-Y233 HydrophobicContact CZ3-CE1 4.04Å; W228-Y233 PolarHBondContact O-N 3.23Å; W228-A234 PolarHBondContact NE1-O 2.61Å; W228-M235 HydrophobicContact CZ2-SD 3.95Å; W228-E359 HydrophobicContact CZ3-CB 4.2Å; W228-R362 HydrophobicContact CH2-CG 4.5Å; W228-R362 VanDerWaalsContact CH2-NH1 3.33Å; W228-R362 HydrophobicContact CZ3-CB 4.49Å; W228-F363 HydrophobicContact CD2-CB 4.31Å; W228-F363 AromaticContact CD2-CD2 3.93Å; W228-F363 HydrophobicContact CD2-CD2 3.93Å; W228-F363 AromaticContact CE2-CD2 3.65Å; W228-F363 HydrophobicContact CE3-CB 3.98Å; W228-F363 HydrophobicContact CE3-CD2 4.46Å; W228-F363 HydrophobicContact CG-CD2 4.28Å; W228-F363 HydrophobicContact CH2-CB 3.76Å; W228-F363 HydrophobicContact CH2-CD2 4.39Å; W228-F363 HydrophobicContact CZ2-CB 4.14Å; W228-F363 AromaticContact CZ2-CD2 3.9Å; W228-F363 HydrophobicContact CZ2-CD2 3.9Å; W228-F363 HydrophobicContact CZ3-CB 3.7Å; W228-F363 AromaticContact NE1-CD2 3.86Å; W228-Q366 HydrophobicContact CH2-CB 4.43Å; W228-Q366 HydrophobicContact CZ2-CB 4.26Å; W228-Q366 HydrophobicContact CZ2-CG 4.49Å
229R97.6Very high96.7Very high73 Ų7342.3 Ų42.328%0.27522%0.217SC..Hα-helixtrans-56.6-48.4173.9-179.7-159.970174.8-1.7111.4F225 R226 S231 G232 Y233 E359F225-R229 WeakPolarHBondContact O-CB 3.46Å; F225-R229 PolarHBondContact O-N 2.94Å; R226-R229 WeakPolarHBondContact O-CB 3.15Å; R226-R229 PolarHBondContact O-N 2.75Å; R229-S231 PolarHBondContact O-N 3.03Å; R229-G232 PolarHBondContact O-N 2.99Å; R229-Y233 HydrophobicContact CB-CD1 4.4Å; R229-Y233 HydrophobicContact CB-CE1 3.96Å; R229-Y233 HydrophobicContact CG-CD1 4.35Å; R229-Y233 HydrophobicContact CG-CE1 3.52Å; R229-Y233 PolarHBondContact O-N 2.91Å; R229-E359 WeakPolarHBondContact CD-OE1 3.37Å
230D97.3Very high96.6Very high87 Ų8743 Ų4347%0.46522%0.22SC..Hα-helixtrans-66.5-18.2-178.3-62.2-11.3000112.6R226 I227 W228 G232R226-D230 WeakPolarHBondContact O-CB 3.35Å; R226-D230 PolarHBondContact O-N 3.35Å; I227-D230 PolarHBondContact O-N 3.29Å; W228-D230 VanDerWaalsContact C-N 3.33Å; W228-D230 PolarHBondContact O-N 2.66Å; D230-G232 PolarHBondContact O-N 3Å
231S96.8Very high96.6Very high40 Ų4046.8 Ų46.828%0.2824%0.24SC..THydrogen-bonded Turntrans-73.80.5169.8810000114.1I227 W228 R229 A234I227-S231 PolarHBondContact O-N 3.14Å; W228-S231 WeakPolarHBondContact O-CB 3.26Å; W228-S231 PolarHBondContact O-N 3.23Å; W228-S231 VanDerWaalsContact O-N 3.17Å; W228-S231 PolarHBondContact O-OG 3.38Å; R229-S231 PolarHBondContact O-N 3.03Å; S231-A234 PolarHBondContact OG-N 3.41Å
232G97.2Very high96.7Very high58 Ų5847.5 Ų47.560%0.59824%0.243SC*.THydrogen-bonded Turntrans77.830.8-171.100000112.4R229 D230 A234R229-G232 PolarHBondContact O-N 2.99Å; D230-G232 PolarHBondContact O-N 3Å; G232-A234 VanDerWaalsContact C-N 3.28Å; G232-A234 PolarHBondContact O-N 3.3Å
233Y97.6Very high96.7Very high72 Ų7254 Ų5428%0.28228%0.277SS..SBendtrans61.530.6-178.5-48.4-74000114.4W228 R229 M235 E359 R362 Q366W228-Y233 HydrophobicContact CD2-CD1 4.43Å; W228-Y233 HydrophobicContact CE3-CD1 4.04Å; W228-Y233 AromaticContact CH2-CD1 3.54Å; W228-Y233 HydrophobicContact CH2-CD1 3.54Å; W228-Y233 HydrophobicContact CH2-CE1 4.29Å; W228-Y233 HydrophobicContact CH2-CG 4.4Å; W228-Y233 AromaticContact CZ2-CD1 3.92Å; W228-Y233 HydrophobicContact CZ2-CD1 3.92Å; W228-Y233 HydrophobicContact CZ2-CG 4.44Å; W228-Y233 AromaticContact CZ3-CD1 3.58Å; W228-Y233 HydrophobicContact CZ3-CD1 3.58Å; W228-Y233 HydrophobicContact CZ3-CE1 4.04Å; W228-Y233 PolarHBondContact O-N 3.23Å; R229-Y233 HydrophobicContact CB-CD1 4.4Å; R229-Y233 HydrophobicContact CB-CE1 3.96Å; R229-Y233 HydrophobicContact CG-CD1 4.35Å; R229-Y233 HydrophobicContact CG-CE1 3.52Å; R229-Y233 PolarHBondContact O-N 2.91Å; Y233-M235 PolarHBondContact O-N 2.92Å; Y233-E359 VanDerWaalsContact CE1-OE2 3.28Å; Y233-E359 WeakPolarHBondContact CE1-OE2 3.3Å; Y233-E359 PolarHBondContact OH-OE2 3.26Å; Y233-R362 VanDerWaalsContact CE1-CZ 3.48Å; Y233-R362 VanDerWaalsContact CE1-NH1 3.28Å; Y233-R362 VanDerWaalsContact CG-NH1 3.35Å; Y233-Q366 PolarHBondContact O-NE2 2.97Å
234A97.1Very high96.4Very high36 Ų3654.1 Ų54.130%0.29827%0.274SS..  trans-64.9127.6177.200000110.2W228 S231 G232 V238W228-A234 PolarHBondContact NE1-O 2.61Å; S231-A234 PolarHBondContact OG-N 3.41Å; G232-A234 VanDerWaalsContact C-N 3.28Å; G232-A234 PolarHBondContact O-N 3.3Å; A234-V238 HydrophobicContact CB-CG2 3.8Å; A234-V238 VanDerWaalsContact O-CG2 3.22Å; A234-V238 WeakPolarHBondContact O-CG2 3.37Å
235M95.1Very high95.8Very high9 Ų959.2 Ų59.24%0.04431%0.31CS..SBendtrans-84.3-33.3-179.9-67.1-65.1-61.400111.4W228 Y233 Y276 F363 Q366 F367 E370W228-M235 HydrophobicContact CZ2-SD 3.95Å; Y233-M235 PolarHBondContact O-N 2.92Å; M235-Y276 HydrophobicContact CE-CD2 4.23Å; M235-Y276 WeakPolarHBondContact O-CB 3.43Å; M235-F363 HydrophobicContact CE-CD2 4.35Å; M235-F363 HydrophobicContact CE-CE2 3.81Å; M235-F363 HydrophobicContact CE-CZ 4.38Å; M235-F363 HydrophobicContact SD-CD2 4.16Å; M235-F363 HydrophobicContact SD-CE2 4.05Å; M235-Q366 HydrophobicContact CG-CG 4.28Å; M235-Q366 HydrophobicContact SD-CB 4.24Å; M235-Q366 HydrophobicContact SD-CG 3.93Å; M235-F367 HydrophobicContact CE-CB 3.78Å; M235-F367 HydrophobicContact CE-CD2 3.57Å; M235-F367 HydrophobicContact CE-CG 4.13Å; M235-E370 HydrophobicContact CB-CG 4.19Å; M235-E370 HydrophobicContact CE-CB 4.49Å; M235-E370 HydrophobicContact CE-CG 4.06Å; M235-E370 HydrophobicContact CG-CG 3.74Å
236H96.4Very high95.1Very high81 Ų8161.6 Ų61.638%0.37534%0.335SS..SBendtrans-102.7156.8178-60.6-70.9000111.7V238 D274 Y276H236-V238 PolarHBondContact O-N 3.2Å; H236-D274 VanDerWaalsContact CA-OD2 3.25Å; H236-D274 WeakPolarHBondContact CA-OD2 3.4Å; H236-D274 IonicContact ND1-OD2 3.29Å; H236-Y276 AromaticContact CE1-CD1 3.4Å; H236-Y276 VanDerWaalsContact CE1-CD1 3.4Å; H236-Y276 WeakPolarHBondContact CE1-CD1 3.3Å; H236-Y276 AromaticContact CE1-CD2 3.95Å; H236-Y276 AromaticContact CE1-CE1 3.72Å; H236-Y276 AromaticContact CE1-CG 3.52Å; H236-Y276 AromaticContact ND1-CD1 3.86Å; H236-Y276 AromaticContact ND1-CG 3.87Å
237H96.9Very high94.8Very high138 Ų13859.5 Ų59.564%0.63933%0.331SS*.SBendtrans61.720.3176.1-48.5-58.8000115.2Y239 D274H237-Y239 HydrophobicContact CB-CE2 4.14Å; H237-Y239 WeakPolarHBondContact O-CD2 3.41Å; H237-Y239 WeakPolarHBondContact O-CE2 3.33Å; H237-D274 PolarHBondContact N-OD2 3.37Å
238V97.7Very high94.6Very high13 Ų1362.6 Ų62.68%0.07934%0.344CS..  trans-103.8108.2170.3-172.40000108.6F224 A234 H236 D274 I275F224-V238 HydrophobicContact CE1-CG1 4.43Å; F224-V238 HydrophobicContact CE2-CG1 4.46Å; F224-V238 HydrophobicContact CZ-CG1 3.79Å; A234-V238 HydrophobicContact CB-CG2 3.8Å; A234-V238 VanDerWaalsContact O-CG2 3.22Å; A234-V238 WeakPolarHBondContact O-CG2 3.37Å; H236-V238 PolarHBondContact O-N 3.2Å; V238-D274 CarbonylContact O-C 3.54Å; V238-D274 WeakPolarHBondContact O-CA 3.39Å; V238-I275 HydrophobicContact CB-CG2 4.13Å; V238-I275 PolarHBondContact O-N 3.43Å
239Y97.5Very high94.3Very high86 Ų8662.7 Ų62.734%0.33735%0.345SS..BIsolated β-bridgetrans-105.1142.7-172.1-57.6-88.5000111.8F224 H237 S272 D274F224-Y239 WeakPolarHBondContact CE2-O 3.41Å; H237-Y239 HydrophobicContact CB-CE2 4.14Å; H237-Y239 WeakPolarHBondContact O-CD2 3.41Å; H237-Y239 WeakPolarHBondContact O-CE2 3.33Å; Y239-S272 WeakPolarHBondContact CE1-O 3.22Å; Y239-D274 HydrophobicContact CD1-CB 4Å; Y239-D274 HydrophobicContact CE1-CB 3.77Å
240F96.9Very high94.1Very high15 Ų1562 Ų627%0.06635%0.351CS..  trans-81.7135169.2-176.8-102.4000110.4L186 P220 F224 W242 V247L186-F240 HydrophobicContact CD1-CE1 4.19Å; L186-F240 HydrophobicContact CD1-CE2 4.44Å; L186-F240 HydrophobicContact CD1-CZ 3.64Å; L186-F240 HydrophobicContact CD2-CE1 4.12Å; L186-F240 HydrophobicContact CD2-CZ 4.39Å; P220-F240 HydrophobicContact CB-CD2 3.59Å; P220-F240 HydrophobicContact CB-CE2 3.96Å; P220-F240 HydrophobicContact CB-CG 4.21Å; P220-F240 HydrophobicContact CG-CB 3.72Å; P220-F240 HydrophobicContact CG-CD1 4.46Å; P220-F240 HydrophobicContact CG-CD2 3.59Å; P220-F240 HydrophobicContact CG-CE2 4.31Å; P220-F240 HydrophobicContact CG-CG 3.67Å; F224-F240 HydrophobicContact CB-CD2 4.39Å; F224-F240 HydrophobicContact CD2-CB 4.41Å; F224-F240 AromaticContact CD2-CD2 3.6Å; F224-F240 HydrophobicContact CD2-CD2 3.6Å; F224-F240 HydrophobicContact CD2-CE2 4.43Å; F224-F240 HydrophobicContact CD2-CG 4.49Å; F224-F240 HydrophobicContact CE2-CB 4.03Å; F224-F240 HydrophobicContact CE2-CD2 4.07Å; F224-F240 HydrophobicContact CG-CD2 4.1Å; F224-F240 HydrophobicContact CZ-CB 4.42Å; F240-W242 HydrophobicContact CB-CZ2 4.44Å; F240-W242 AromaticContact CD1-CD2 3.68Å; F240-W242 HydrophobicContact CD1-CD2 3.68Å; F240-W242 AromaticContact CD1-CE2 3.84Å; F240-W242 AromaticContact CD1-CE3 3.76Å; F240-W242 HydrophobicContact CD1-CE3 3.76Å; F240-W242 HydrophobicContact CD1-CG 4.16Å; F240-W242 HydrophobicContact CD1-CH2 4.19Å; F240-W242 HydrophobicContact CD1-CZ2 4.12Å; F240-W242 AromaticContact CD1-CZ3 3.99Å; F240-W242 HydrophobicContact CD1-CZ3 3.99Å; F240-W242 HydrophobicContact CE1-CD2 4.3Å; F240-W242 AromaticContact CE1-CE3 3.97Å; F240-W242 HydrophobicContact CE1-CE3 3.97Å; F240-W242 HydrophobicContact CE1-CZ3 4.19Å; F240-W242 PolarHBondContact O-N 3.49Å; F240-W242 VanDerWaalsContact O-N 3.13Å; F240-W242 PolarHBondContact O-NE1 2.86Å; F240-V247 HydrophobicContact CE1-CG2 3.99Å; F240-V247 HydrophobicContact CZ-CG2 4.24Å
241D95.6Very high93.9Very high80 Ų8058.3 Ų58.343%0.42833%0.332SS..  trans-78.597174.4-179.410.4000110.8N243 R244D241-N243 PolarHBondContact O-N 2.76Å; D241-N243 WeakPolarHBondContact OD1-CB 3.37Å; D241-N243 PolarHBondContact OD1-N 3.31Å; D241-R244 HydrophobicContact CB-CG 4.1Å; D241-R244 PolarHBondContact O-N 3.09Å
242W95.7Very high93.7Very high16 Ų1659.5 Ų59.56%0.06134%0.335CS..THydrogen-bonded Turntrans-70.6-9.4178.3-61.598.6000114.5L186 P218 F240 R244 V247 Y270 K271 I278L186-W242 HydrophobicContact CD2-CZ3 3.81Å; P218-W242 HydrophobicContact CB-CH2 4.46Å; P218-W242 HydrophobicContact CB-CZ3 3.98Å; P218-W242 HydrophobicContact CG-CZ3 4.22Å; P218-W242 WeakPolarHBondContact O-CH2 3.4Å; F240-W242 HydrophobicContact CB-CZ2 4.44Å; F240-W242 AromaticContact CD1-CD2 3.68Å; F240-W242 HydrophobicContact CD1-CD2 3.68Å; F240-W242 AromaticContact CD1-CE2 3.84Å; F240-W242 AromaticContact CD1-CE3 3.76Å; F240-W242 HydrophobicContact CD1-CE3 3.76Å; F240-W242 HydrophobicContact CD1-CG 4.16Å; F240-W242 HydrophobicContact CD1-CH2 4.19Å; F240-W242 HydrophobicContact CD1-CZ2 4.12Å; F240-W242 AromaticContact CD1-CZ3 3.99Å; F240-W242 HydrophobicContact CD1-CZ3 3.99Å; F240-W242 HydrophobicContact CE1-CD2 4.3Å; F240-W242 AromaticContact CE1-CE3 3.97Å; F240-W242 HydrophobicContact CE1-CE3 3.97Å; F240-W242 HydrophobicContact CE1-CZ3 4.19Å; F240-W242 PolarHBondContact O-N 3.49Å; F240-W242 VanDerWaalsContact O-N 3.13Å; F240-W242 PolarHBondContact O-NE1 2.86Å; W242-R244 VanDerWaalsContact C-N 3.35Å; W242-V247 HydrophobicContact CE3-CG1 4.16Å; W242-Y270 HydrophobicContact CD2-CE2 4.13Å; W242-Y270 AromaticContact CE3-CE2 3.91Å; W242-Y270 HydrophobicContact CE3-CE2 3.91Å; W242-Y270 HydrophobicContact CH2-CD2 4.07Å; W242-Y270 AromaticContact CH2-CE2 3.88Å; W242-Y270 HydrophobicContact CH2-CE2 3.88Å; W242-Y270 HydrophobicContact CZ2-CD2 4.01Å; W242-Y270 HydrophobicContact CZ2-CE2 4.09Å; W242-Y270 HydrophobicContact CZ3-CD2 4.45Å; W242-Y270 AromaticContact CZ3-CE2 3.8Å; W242-Y270 HydrophobicContact CZ3-CE2 3.8Å; W242-K271 HydrophobicContact CB-CB 4.48Å; W242-K271 HydrophobicContact CB-CD 4.09Å; W242-K271 HydrophobicContact CB-CG 4.16Å; W242-K271 VanDerWaalsContact CD1-CA 3.49Å; W242-K271 HydrophobicContact CD2-CG 4.19Å; W242-K271 HydrophobicContact CG-CB 4.01Å; W242-K271 HydrophobicContact CG-CD 4.33Å; W242-K271 HydrophobicContact CG-CG 3.84Å; W242-K271 PolarHBondContact NE1-O 2.84Å; W242-I278 HydrophobicContact CH2-CD1 3.78Å; W242-I278 HydrophobicContact CZ2-CD1 3.58Å
243N93.6Very high93.5Very high146 Ų14659.7 Ų59.778%0.78133%0.326SS*.THydrogen-bonded Turntrans-92.82.4178.1-60.1-47.6000112.4D241D241-N243 PolarHBondContact O-N 2.76Å; D241-N243 WeakPolarHBondContact OD1-CB 3.37Å; D241-N243 PolarHBondContact OD1-N 3.31Å
244R87.8Confident93.2Very high73 Ų7361 Ų6128%0.27535%0.345SS..SBendtrans-61147.8175.7-86.9-174162.8-174.1-4112.7D241 W242 V247 Q496 N497D241-R244 HydrophobicContact CB-CG 4.1Å; D241-R244 PolarHBondContact O-N 3.09Å; W242-R244 VanDerWaalsContact C-N 3.35Å; R244-V247 HydrophobicContact CB-CG2 4.26Å; R244-V247 PolarHBondContact O-N 3.22Å; R244-Q496 PolarHBondContact NH2-O 2.95Å; R244-N497 PolarHBondContact NH2-OD1 3.11Å
245S84.3Confident92.7Very high110 Ų11063.3 Ų63.377%0.76935%0.352SS*.THydrogen-bonded Turntrans-58138170.856.50000110.8
246G82.7Confident92.7Very high50 Ų5063.4 Ų63.452%0.51535%0.353SS..THydrogen-bonded Turntrans86.8-2.4-178.500000115.6
247V91.5Very high92.6Very high34 Ų3461.2 Ų61.221%0.20635%0.346CS..  trans-86.1107.2167.5-176.40000108.9L186 F240 W242 R244L186-V247 HydrophobicContact CD1-CG2 4.45Å; L186-V247 HydrophobicContact CD2-CG1 4.46Å; F240-V247 HydrophobicContact CE1-CG2 3.99Å; F240-V247 HydrophobicContact CZ-CG2 4.24Å; W242-V247 HydrophobicContact CE3-CG1 4.16Å; R244-V247 HydrophobicContact CB-CG2 4.26Å; R244-V247 PolarHBondContact O-N 3.22Å
248E92.4Very high92.4Very high97 Ų9763.5 Ų63.545%0.45335%0.354SS..  trans-116.4-31.4-175.5-58.7174.7163.500112.3L186 Y188L186-E248 PolarHBondContact O-N 3.17Å; Y188-E248 HydrophobicContact CD2-CB 3.69Å; Y188-E248 WeakPolarHBondContact CD2-OE2 3.36Å; Y188-E248 HydrophobicContact CE2-CB 3.79Å; Y188-E248 PolarHBondContact N-OE2 2.95Å
249V92.4Very high92.3Very high2 Ų263.2 Ų63.21%0.01235%0.352CS..  trans-83.5136.6-175.9177.70000109.6L186 Y188 K202 P216 P218L186-V249 WeakPolarHBondContact O-CB 3.31Å; L186-V249 WeakPolarHBondContact O-CG2 3.41Å; L186-V249 PolarHBondContact O-N 3.32Å; Y188-V249 HydrophobicContact CD1-CG2 3.94Å; Y188-V249 HydrophobicContact CD2-CG2 4.4Å; Y188-V249 HydrophobicContact CE1-CG2 3.91Å; Y188-V249 HydrophobicContact CE2-CG2 4.36Å; Y188-V249 HydrophobicContact CG-CG2 4.2Å; K202-V249 HydrophobicContact CD-CG1 4.35Å; K202-V249 HydrophobicContact CD-CG2 4.31Å; P216-V249 HydrophobicContact CB-CG1 3.71Å; P218-V249 HydrophobicContact CB-CB 4.47Å; P218-V249 HydrophobicContact CB-CG1 4.28Å; P218-V249 HydrophobicContact CG-CG1 4.31Å
250S93.2Very high92.2Very high59 Ų5963.5 Ų63.541%0.41336%0.359SS..  trans-122.2150.4170.854.30000111.2N252 Y270S250-N252 PolarHBondContact O-N 3.21Å; S250-Y270 VanDerWaalsContact CA-OH 3.3Å; S250-Y270 WeakPolarHBondContact CA-OH 3.04Å; S250-Y270 WeakPolarHBondContact CB-OH 3.29Å
251V94.5Very high92.1Very high9 Ų963.1 Ų63.16%0.05536%0.358CS..  trans-64.3125.5167175.90000107.3P218 P253 I256 W267 Y270P218-V251 HydrophobicContact CG-CG2 3.96Å; V251-P253 WeakPolarHBondContact O-CD 3.35Å; V251-I256 HydrophobicContact CG1-CD1 4.27Å; V251-I256 HydrophobicContact CG1-CG1 4.22Å; V251-W267 HydrophobicContact CG1-CB 4.17Å; V251-W267 HydrophobicContact CG1-CE3 4.03Å; V251-Y270 HydrophobicContact CB-CD1 3.72Å; V251-Y270 HydrophobicContact CB-CD2 4.43Å; V251-Y270 HydrophobicContact CB-CE1 3.87Å; V251-Y270 HydrophobicContact CB-CG 4Å; V251-Y270 HydrophobicContact CG2-CD1 3.96Å; V251-Y270 HydrophobicContact CG2-CD2 3.77Å; V251-Y270 HydrophobicContact CG2-CE1 4.21Å; V251-Y270 HydrophobicContact CG2-CE2 4.05Å; V251-Y270 HydrophobicContact CG2-CG 3.71Å
252N91.8Very high92.1Very high65 Ų6559.5 Ų59.535%0.34834%0.338SS..  trans-103.7105.2171.5-178-10.9000108.9S250 S254 L255S250-N252 PolarHBondContact O-N 3.21Å; N252-S254 VanDerWaalsContact CG-OG 3.27Å; N252-S254 PolarHBondContact ND2-OG 3.44Å; N252-S254 PolarHBondContact O-N 3.49Å; N252-S254 PolarHBondContact OD1-N 3.23Å; N252-S254 VanDerWaalsContact OD1-N 3.08Å; N252-S254 PolarHBondContact OD1-OG 3.14Å; N252-L255 HydrophobicContact CB-CB 4.44Å; N252-L255 HydrophobicContact CB-CD1 4.04Å; N252-L255 HydrophobicContact CB-CG 4.15Å; N252-L255 PolarHBondContact O-N 2.86Å
253P93.4Very high92Very high63 Ų6362.4 Ų62.441%0.40936%0.361SS..G310 helixtrans-55.1-28.3-178-2735.1000114.3V251 L255 I256 W267V251-P253 WeakPolarHBondContact O-CD 3.35Å; P253-L255 VanDerWaalsContact C-N 3.28Å; P253-L255 PolarHBondContact O-N 3.33Å; P253-I256 PolarHBondContact O-N 2.97Å; P253-W267 HydrophobicContact CB-CB 3.94Å; P253-W267 HydrophobicContact CG-CB 3.82Å
254S90.8Very high92.1Very high98 Ų9859.6 Ų59.669%0.68535%0.353SS*.G310 helixtrans-71.8-20.3179.566.50000114N252N252-S254 VanDerWaalsContact CG-OG 3.27Å; N252-S254 PolarHBondContact ND2-OG 3.44Å; N252-S254 PolarHBondContact O-N 3.49Å; N252-S254 PolarHBondContact OD1-N 3.23Å; N252-S254 VanDerWaalsContact OD1-N 3.08Å; N252-S254 PolarHBondContact OD1-OG 3.14Å
255L87.3Confident92.5Very high85 Ų8556.8 Ų56.845%0.44534%0.344SS..G310 helixtrans-94.5-9.4178-62.3179.7000112.8N252 P253 P257N252-L255 HydrophobicContact CB-CB 4.44Å; N252-L255 HydrophobicContact CB-CD1 4.04Å; N252-L255 HydrophobicContact CB-CG 4.15Å; N252-L255 PolarHBondContact O-N 2.86Å; P253-L255 VanDerWaalsContact C-N 3.28Å; P253-L255 PolarHBondContact O-N 3.33Å; L255-P257 VanDerWaalsContact O-CD 3.32Å; L255-P257 WeakPolarHBondContact O-CD 3.49Å
256I94.4Very high93.1Very high12 Ų1257.5 Ų57.56%0.06234%0.335CS..SBendtrans-82.7118.1-179.2-53.7-55.1000109.5I215 L217 V251 P253 K258 W267 L285I215-I256 HydrophobicContact CG2-CD1 3.4Å; L217-I256 HydrophobicContact CD2-CD1 4.3Å; V251-I256 HydrophobicContact CG1-CD1 4.27Å; V251-I256 HydrophobicContact CG1-CG1 4.22Å; P253-I256 PolarHBondContact O-N 2.97Å; I256-K258 PolarHBondContact O-N 3.22Å; I256-W267 HydrophobicContact CG1-CD2 4.15Å; I256-W267 HydrophobicContact CG1-CG 4.31Å; I256-W267 HydrophobicContact CG2-CD2 4.25Å; I256-W267 HydrophobicContact CG2-CH2 4.38Å; I256-W267 HydrophobicContact CG2-CZ2 3.67Å; I256-L285 HydrophobicContact CD1-CD2 4.38Å; I256-L285 HydrophobicContact CG2-CD1 3.64Å; I256-L285 HydrophobicContact CG2-CD2 3.74Å; I256-L285 HydrophobicContact CG2-CG 4.33Å
257P94.3Very high93.8Very high34 Ų3456.1 Ų56.122%0.22131%0.314CS..PPolyproline II helixtrans-64.3136.7173.4-17.831.9000110.4Y180 V213 I215 L255 L285 L289Y180-P257 HydrophobicContact CD1-CG 4.35Å; Y180-P257 HydrophobicContact CE1-CG 4.01Å; V213-P257 HydrophobicContact CG1-CG 4.16Å; I215-P257 HydrophobicContact CD1-CG 4.11Å; L255-P257 VanDerWaalsContact O-CD 3.32Å; L255-P257 WeakPolarHBondContact O-CD 3.49Å; P257-L285 WeakPolarHBondContact O-CD1 3.31Å; P257-L289 HydrophobicContact CB-CD2 3.74Å; P257-L289 HydrophobicContact CG-CD2 3.81Å
258K93.2Very high94Very high186 Ų18659 Ų5981%0.80934%0.336SS*.PPolyproline II helixtrans-80131.6174.9-67.3-173.3179.2-174.90109.7I256I256-K258 PolarHBondContact O-N 3.22Å
259T95.5Very high94.2Very high7 Ų758 Ų584%0.04333%0.333CS..  trans-127.3162.6172.169.20000107.4L261 S262 S263 L289 E292T259-L261 PolarHBondContact O-N 3.11Å; T259-S262 PolarHBondContact N-OG 3.41Å; T259-S262 CarbonylContact O-C 3.58Å; T259-S262 PolarHBondContact O-N 2.84Å; T259-S262 VanDerWaalsContact O-N 3.14Å; T259-S262 WeakPolarHBondContact OG1-CB 2.94Å; T259-S262 PolarHBondContact OG1-N 3.12Å; T259-S262 PolarHBondContact OG1-OG 3.14Å; T259-S263 WeakPolarHBondContact O-CA 3.48Å; T259-S263 VanDerWaalsContact O-CB 3.25Å; T259-S263 WeakPolarHBondContact O-CB 3.37Å; T259-S263 PolarHBondContact O-N 3.41Å; T259-L289 HydrophobicContact CG2-CD2 4.13Å; T259-L289 HydrophobicContact CG2-CG 4.47Å; T259-E292 VanDerWaalsContact CA-OE1 3.26Å; T259-E292 WeakPolarHBondContact CA-OE1 3.45Å; T259-E292 VanDerWaalsContact CB-OE1 3.22Å; T259-E292 WeakPolarHBondContact CB-OE1 3.31Å
260L95.3Very high94.4Very high92 Ų9258.3 Ų58.348%0.48233%0.334SS..THydrogen-bonded Turntrans-55-45175.8-175.259000110.6S262 S263 E292 V382 Y383L260-S262 PolarHBondContact O-N 3.16Å; L260-S263 PolarHBondContact O-OG 2.56Å; L260-E292 PolarHBondContact N-OE1 3.4Å; L260-V382 HydrophobicContact CB-CG1 4.35Å; L260-V382 HydrophobicContact CD2-CG1 3.74Å; L260-V382 WeakPolarHBondContact CD2-O 3.45Å; L260-V382 HydrophobicContact CG-CG1 3.74Å; L260-Y383 HydrophobicContact CB-CE1 3.72Å; L260-Y383 HydrophobicContact CD2-CD1 3.94Å; L260-Y383 HydrophobicContact CD2-CE1 3.94Å; L260-Y383 HydrophobicContact CG-CE1 4.45Å
261L95.4Very high94.6Very high8 Ų860.6 Ų60.64%0.04234%0.337CS..THydrogen-bonded Turntrans-62.8-38.4176-81.6169.6000113.9T259 K284 L287 E376 L379 V382 Y383T259-L261 PolarHBondContact O-N 3.11Å; L261-K284 HydrophobicContact CB-CB 4.24Å; L261-K284 VanDerWaalsContact CB-O 3.27Å; L261-K284 WeakPolarHBondContact CB-O 3.19Å; L261-K284 WeakPolarHBondContact O-CD 3.33Å; L261-L287 HydrophobicContact CD1-CB 3.52Å; L261-E376 WeakPolarHBondContact CD2-O 3.17Å; L261-L379 HydrophobicContact CD1-CD2 3.64Å; L261-V382 HydrophobicContact CD2-CB 3.97Å; L261-V382 HydrophobicContact CD2-CG1 3.86Å; L261-V382 HydrophobicContact CD2-CG2 3.71Å; L261-V382 HydrophobicContact CG-CB 4.39Å; L261-V382 HydrophobicContact CG-CG1 3.91Å; L261-Y383 HydrophobicContact CD1-CE2 3.79Å; L261-Y383 HydrophobicContact CG-CE2 3.93Å
262S95.3Very high94.7Very high3 Ų363.6 Ų63.62%0.02136%0.358CS..THydrogen-bonded Turntrans-96.4-2.9-175.7750000114.2T259 L260 S264 V265T259-S262 PolarHBondContact N-OG 3.41Å; T259-S262 CarbonylContact O-C 3.58Å; T259-S262 PolarHBondContact O-N 2.84Å; T259-S262 VanDerWaalsContact O-N 3.14Å; T259-S262 WeakPolarHBondContact OG1-CB 2.94Å; T259-S262 PolarHBondContact OG1-N 3.12Å; T259-S262 PolarHBondContact OG1-OG 3.14Å; L260-S262 PolarHBondContact O-N 3.16Å; S262-S264 VanDerWaalsContact C-N 3.26Å; S262-S264 PolarHBondContact O-N 3.41Å; S262-V265 WeakPolarHBondContact O-CB 3.3Å; S262-V265 PolarHBondContact O-N 3.07Å
263S93.8Very high95Very high77 Ų7761.6 Ų61.654%0.53835%0.346SS..THydrogen-bonded Turntrans-61.2-32-171.260.80000114T259 L260T259-S263 WeakPolarHBondContact O-CA 3.48Å; T259-S263 VanDerWaalsContact O-CB 3.25Å; T259-S263 WeakPolarHBondContact O-CB 3.37Å; T259-S263 PolarHBondContact O-N 3.41Å; L260-S263 PolarHBondContact O-OG 2.56Å
264S93.7Very high95.2Very high87 Ų8759.1 Ų59.161%0.60833%0.329SS*.THydrogen-bonded Turntrans-90.2-2.5179.158.40000114S262 E266S262-S264 VanDerWaalsContact C-N 3.26Å; S262-S264 PolarHBondContact O-N 3.41Å; S264-E266 PolarHBondContact O-N 3.04Å
265V97Very high95.6Very high14 Ų1454.6 Ų54.69%0.08530%0.297CS..  trans-78.8117.9-176.9179.30000110.4S262 W267 W273 N281 K284S262-V265 WeakPolarHBondContact O-CB 3.3Å; S262-V265 PolarHBondContact O-N 3.07Å; V265-W267 HydrophobicContact CB-CD2 4.43Å; V265-W267 HydrophobicContact CB-CZ2 4.03Å; V265-W267 HydrophobicContact CG1-CD2 3.71Å; V265-W267 HydrophobicContact CG1-CE3 3.96Å; V265-W267 HydrophobicContact CG1-CG 4.25Å; V265-W267 HydrophobicContact CG1-CH2 4.06Å; V265-W267 HydrophobicContact CG1-CZ2 3.81Å; V265-W267 HydrophobicContact CG1-CZ3 4.14Å; V265-W267 HydrophobicContact CG2-CZ2 4.5Å; V265-W267 VanDerWaalsContact O-CD1 3.24Å; V265-W267 PolarHBondContact O-N 3.41Å; V265-W267 VanDerWaalsContact O-N 3.07Å; V265-W273 HydrophobicContact CG1-CH2 3.45Å; V265-W273 VanDerWaalsContact CG1-CH2 3.45Å; V265-W273 HydrophobicContact CG1-CZ2 3.85Å; V265-W273 HydrophobicContact CG1-CZ3 4.45Å; V265-N281 HydrophobicContact CG1-CB 3.91Å; V265-N281 HydrophobicContact CG2-CB 4.33Å; V265-K284 HydrophobicContact CG2-CD 4.01Å
266E96.6Very high96.1Very high125 Ų12552.2 Ų52.258%0.58428%0.282SS*.  trans-81.879.4173.9-65.8-167.9173.600111.7S264 S268 L269 W273S264-E266 PolarHBondContact O-N 3.04Å; E266-S268 PolarHBondContact O-N 2.78Å; E266-L269 HydrophobicContact CB-CD1 4.06Å; E266-L269 HydrophobicContact CB-CG 4.16Å; E266-L269 WeakPolarHBondContact O-CB 3.22Å; E266-L269 PolarHBondContact O-N 3.43Å; E266-L269 WeakPolarHBondContact OE2-CD1 3.27Å; E266-W273 VanDerWaalsContact O-CZ2 3.28Å; E266-W273 WeakPolarHBondContact O-CZ2 3.47Å
267W97.1Very high96.2Very high22 Ų2253.9 Ų53.98%0.08329%0.293CS..G310 helixtrans-53.9-26.6-174.6-63.7103.7000115.8V251 P253 I256 V265 L269 Y270 W273 Y282 L285V251-W267 HydrophobicContact CG1-CB 4.17Å; V251-W267 HydrophobicContact CG1-CE3 4.03Å; P253-W267 HydrophobicContact CB-CB 3.94Å; P253-W267 HydrophobicContact CG-CB 3.82Å; I256-W267 HydrophobicContact CG1-CD2 4.15Å; I256-W267 HydrophobicContact CG1-CG 4.31Å; I256-W267 HydrophobicContact CG2-CD2 4.25Å; I256-W267 HydrophobicContact CG2-CH2 4.38Å; I256-W267 HydrophobicContact CG2-CZ2 3.67Å; V265-W267 HydrophobicContact CB-CD2 4.43Å; V265-W267 HydrophobicContact CB-CZ2 4.03Å; V265-W267 HydrophobicContact CG1-CD2 3.71Å; V265-W267 HydrophobicContact CG1-CE3 3.96Å; V265-W267 HydrophobicContact CG1-CG 4.25Å; V265-W267 HydrophobicContact CG1-CH2 4.06Å; V265-W267 HydrophobicContact CG1-CZ2 3.81Å; V265-W267 HydrophobicContact CG1-CZ3 4.14Å; V265-W267 HydrophobicContact CG2-CZ2 4.5Å; V265-W267 VanDerWaalsContact O-CD1 3.24Å; V265-W267 PolarHBondContact O-N 3.41Å; V265-W267 VanDerWaalsContact O-N 3.07Å; W267-L269 PolarHBondContact O-N 3.39Å; W267-Y270 WeakPolarHBondContact O-CB 3.18Å; W267-Y270 WeakPolarHBondContact O-CD1 3.29Å; W267-Y270 PolarHBondContact O-N 2.99Å; W267-W273 AromaticContact CE3-CH2 3.92Å; W267-W273 HydrophobicContact CE3-CH2 3.92Å; W267-W273 HydrophobicContact CE3-CZ3 4.29Å; W267-W273 HydrophobicContact CZ3-CH2 4.29Å; W267-W273 HydrophobicContact CZ3-CZ3 4.35Å; W267-Y282 HydrophobicContact CH2-CD1 4.43Å; W267-Y282 AromaticContact CZ3-CD1 3.87Å; W267-Y282 HydrophobicContact CZ3-CD1 3.87Å; W267-Y282 AromaticContact CZ3-CE1 3.92Å; W267-Y282 HydrophobicContact CZ3-CE1 3.92Å; W267-L285 HydrophobicContact CH2-CB 3.77Å; W267-L285 HydrophobicContact CH2-CD2 3.84Å; W267-L285 HydrophobicContact CH2-CG 4.35Å; W267-L285 HydrophobicContact CZ2-CB 4.03Å; W267-L285 HydrophobicContact CZ2-CD1 4.47Å; W267-L285 HydrophobicContact CZ2-CD2 4.18Å; W267-L285 HydrophobicContact CZ2-CG 4.46Å
268S95.8Very high96.4Very high93 Ų9352.4 Ų52.465%0.6528%0.283SS*.G310 helixtrans-64.4-22.8175.247.20000113.4E266 Y270E266-S268 PolarHBondContact O-N 2.78Å; S268-Y270 VanDerWaalsContact C-N 3.32Å
269L96.8Very high96.7Very high77 Ų7743.6 Ų43.640%0.40325%0.245SC..G310 helixtrans-87.95.6179.8-60.1-174.2000113.3E266 W267 K271 S272 W273E266-L269 HydrophobicContact CB-CD1 4.06Å; E266-L269 HydrophobicContact CB-CG 4.16Å; E266-L269 WeakPolarHBondContact O-CB 3.22Å; E266-L269 PolarHBondContact O-N 3.43Å; E266-L269 WeakPolarHBondContact OE2-CD1 3.27Å; W267-L269 PolarHBondContact O-N 3.39Å; L269-K271 PolarHBondContact O-N 2.83Å; L269-S272 PolarHBondContact O-N 3.43Å; L269-S272 PolarHBondContact O-OG 3.19Å; L269-W273 PolarHBondContact O-NE1 3.45Å
270Y97.4Very high96.8Very high9 Ų943.4 Ų43.44%0.03524%0.244CC..G310 helixtrans-56.3-29.6-172.386.4-82.5000114.5P218 W242 S250 V251 W267 S268 S272 W273P218-Y270 HydrophobicContact CG-CE2 4.04Å; W242-Y270 HydrophobicContact CD2-CE2 4.13Å; W242-Y270 AromaticContact CE3-CE2 3.91Å; W242-Y270 HydrophobicContact CE3-CE2 3.91Å; W242-Y270 HydrophobicContact CH2-CD2 4.07Å; W242-Y270 AromaticContact CH2-CE2 3.88Å; W242-Y270 HydrophobicContact CH2-CE2 3.88Å; W242-Y270 HydrophobicContact CZ2-CD2 4.01Å; W242-Y270 HydrophobicContact CZ2-CE2 4.09Å; W242-Y270 HydrophobicContact CZ3-CD2 4.45Å; W242-Y270 AromaticContact CZ3-CE2 3.8Å; W242-Y270 HydrophobicContact CZ3-CE2 3.8Å; S250-Y270 VanDerWaalsContact CA-OH 3.3Å; S250-Y270 WeakPolarHBondContact CA-OH 3.04Å; S250-Y270 WeakPolarHBondContact CB-OH 3.29Å; V251-Y270 HydrophobicContact CB-CD1 3.72Å; V251-Y270 HydrophobicContact CB-CD2 4.43Å; V251-Y270 HydrophobicContact CB-CE1 3.87Å; V251-Y270 HydrophobicContact CB-CG 4Å; V251-Y270 HydrophobicContact CG2-CD1 3.96Å; V251-Y270 HydrophobicContact CG2-CD2 3.77Å; V251-Y270 HydrophobicContact CG2-CE1 4.21Å; V251-Y270 HydrophobicContact CG2-CE2 4.05Å; V251-Y270 HydrophobicContact CG2-CG 3.71Å; W267-Y270 WeakPolarHBondContact O-CB 3.18Å; W267-Y270 WeakPolarHBondContact O-CD1 3.29Å; W267-Y270 PolarHBondContact O-N 2.99Å; S268-Y270 VanDerWaalsContact C-N 3.32Å; Y270-S272 VanDerWaalsContact C-N 3.27Å; Y270-S272 PolarHBondContact O-N 2.9Å; Y270-W273 VanDerWaalsContact CA-CD2 3.46Å; Y270-W273 VanDerWaalsContact CA-CE3 3.5Å; Y270-W273 PolarHBondContact O-N 2.71Å
271K96.8Very high96.9Very high106 Ų10639.8 Ų39.846%0.46123%0.225SC..G310 helixtrans-71.7-18.5178.1-65.3-171.2177.7-174.90114.1W242 L269W242-K271 HydrophobicContact CB-CB 4.48Å; W242-K271 HydrophobicContact CB-CD 4.09Å; W242-K271 HydrophobicContact CB-CG 4.16Å; W242-K271 VanDerWaalsContact CD1-CA 3.49Å; W242-K271 HydrophobicContact CD2-CG 4.19Å; W242-K271 HydrophobicContact CG-CB 4.01Å; W242-K271 HydrophobicContact CG-CD 4.33Å; W242-K271 HydrophobicContact CG-CG 3.84Å; W242-K271 PolarHBondContact NE1-O 2.84Å; L269-K271 PolarHBondContact O-N 2.83Å
272S97.4Very high97Very high72 Ų7239.4 Ų39.450%0.50322%0.223SC..G310 helixtrans-98.62177.166.90000113Y239 L269 Y270Y239-S272 WeakPolarHBondContact CE1-O 3.22Å; L269-S272 PolarHBondContact O-N 3.43Å; L269-S272 PolarHBondContact O-OG 3.19Å; Y270-S272 VanDerWaalsContact C-N 3.27Å; Y270-S272 PolarHBondContact O-N 2.9Å
273W98.2Very high97.2Very high24 Ų2439.3 Ų39.39%0.09122%0.222CC..  trans-79.2138.3177.8-63.7-15.4000110.8V265 E266 W267 L269 Y270 T277 I278 N281 Y282V265-W273 HydrophobicContact CG1-CH2 3.45Å; V265-W273 VanDerWaalsContact CG1-CH2 3.45Å; V265-W273 HydrophobicContact CG1-CZ2 3.85Å; V265-W273 HydrophobicContact CG1-CZ3 4.45Å; E266-W273 VanDerWaalsContact O-CZ2 3.28Å; E266-W273 WeakPolarHBondContact O-CZ2 3.47Å; W267-W273 AromaticContact CE3-CH2 3.92Å; W267-W273 HydrophobicContact CE3-CH2 3.92Å; W267-W273 HydrophobicContact CE3-CZ3 4.29Å; W267-W273 HydrophobicContact CZ3-CH2 4.29Å; W267-W273 HydrophobicContact CZ3-CZ3 4.35Å; L269-W273 PolarHBondContact O-NE1 3.45Å; Y270-W273 VanDerWaalsContact CA-CD2 3.46Å; Y270-W273 VanDerWaalsContact CA-CE3 3.5Å; Y270-W273 PolarHBondContact O-N 2.71Å; W273-T277 HydrophobicContact CB-CG2 3.93Å; W273-T277 HydrophobicContact CD2-CG2 4.07Å; W273-T277 HydrophobicContact CG-CG2 3.63Å; W273-I278 HydrophobicContact CB-CB 4.15Å; W273-I278 HydrophobicContact CE3-CB 4Å; W273-I278 HydrophobicContact CE3-CG1 4.05Å; W273-N281 VanDerWaalsContact CE2-ND2 3.28Å; W273-N281 HydrophobicContact CE3-CB 4.2Å; W273-N281 HydrophobicContact CH2-CB 3.96Å; W273-N281 VanDerWaalsContact CH2-ND2 3.3Å; W273-N281 WeakPolarHBondContact CH2-ND2 3.43Å; W273-N281 WeakPolarHBondContact CZ2-ND2 3.36Å; W273-N281 HydrophobicContact CZ3-CB 3.69Å; W273-N281 WeakPolarHBondContact CZ3-ND2 3.38Å; W273-Y282 HydrophobicContact CZ3-CE1 4.49Å
274D97.8Very high97.4Very high10 Ų1036.2 Ų36.25%0.05320%0.199CC..BIsolated β-bridgetrans-71170.6164.76510.1000110.6H236 H237 V238 Y239 Y276 T277 I278H236-D274 VanDerWaalsContact CA-OD2 3.25Å; H236-D274 WeakPolarHBondContact CA-OD2 3.4Å; H236-D274 IonicContact ND1-OD2 3.29Å; H237-D274 PolarHBondContact N-OD2 3.37Å; V238-D274 CarbonylContact O-C 3.54Å; V238-D274 WeakPolarHBondContact O-CA 3.39Å; Y239-D274 HydrophobicContact CD1-CB 4Å; Y239-D274 HydrophobicContact CE1-CB 3.77Å; D274-Y276 PolarHBondContact O-N 3.2Å; D274-Y276 PolarHBondContact OD1-N 2.99Å; D274-T277 PolarHBondContact O-N 3.13Å; D274-T277 WeakPolarHBondContact OD1-CB 3.39Å; D274-T277 PolarHBondContact OD1-N 3.01Å; D274-T277 PolarHBondContact OD1-OG1 2.85Å; D274-I278 WeakPolarHBondContact O-CG2 3.26Å; D274-I278 PolarHBondContact O-N 2.9Å
275I97.8Very high97.6Very high3 Ų332.1 Ų32.12%0.01517%0.17CC..Hα-helixtrans-58-35.1-177.9-169.261.8000112.5Y219 P220 F224 V238 I278 T279 F363Y219-I275 HydrophobicContact CE1-CD1 4.34Å; Y219-I275 HydrophobicContact CE2-CD1 4.08Å; Y219-I275 WeakPolarHBondContact OH-CD1 3.46Å; P220-I275 HydrophobicContact CG-CD1 3.99Å; F224-I275 HydrophobicContact CD1-CD1 4.11Å; F224-I275 HydrophobicContact CD1-CG1 4.49Å; F224-I275 HydrophobicContact CE1-CB 3.85Å; F224-I275 HydrophobicContact CE1-CD1 3.63Å; F224-I275 HydrophobicContact CE1-CG1 3.73Å; F224-I275 HydrophobicContact CZ-CB 4.27Å; V238-I275 HydrophobicContact CB-CG2 4.13Å; V238-I275 PolarHBondContact O-N 3.43Å; I275-I278 HydrophobicContact CD1-CG2 4.19Å; I275-I278 VanDerWaalsContact O-CG2 3.32Å; I275-I278 WeakPolarHBondContact O-CG2 3.42Å; I275-T279 WeakPolarHBondContact O-CB 3.27Å; I275-T279 PolarHBondContact O-N 3.01Å; I275-T279 PolarHBondContact O-OG1 2.9Å; I275-F363 HydrophobicContact CG1-CE2 3.78Å; I275-F363 HydrophobicContact CG1-CZ 3.66Å; I275-F363 HydrophobicContact CG2-CE2 4.12Å
276Y97.8Very high97.7Very high36 Ų3631.4 Ų31.414%0.14117%0.166CC..Hα-helixtrans-65.7-52.4176-179.1-89000111.4M235 H236 D274 I278 T279 V280 F367 E370M235-Y276 HydrophobicContact CE-CD2 4.23Å; M235-Y276 WeakPolarHBondContact O-CB 3.43Å; H236-Y276 AromaticContact CE1-CD1 3.4Å; H236-Y276 VanDerWaalsContact CE1-CD1 3.4Å; H236-Y276 WeakPolarHBondContact CE1-CD1 3.3Å; H236-Y276 AromaticContact CE1-CD2 3.95Å; H236-Y276 AromaticContact CE1-CE1 3.72Å; H236-Y276 AromaticContact CE1-CG 3.52Å; H236-Y276 AromaticContact ND1-CD1 3.86Å; H236-Y276 AromaticContact ND1-CG 3.87Å; D274-Y276 PolarHBondContact O-N 3.2Å; D274-Y276 PolarHBondContact OD1-N 2.99Å; Y276-I278 PolarHBondContact O-N 3.05Å; Y276-T279 PolarHBondContact O-N 2.72Å; Y276-T279 VanDerWaalsContact O-N 3.16Å; Y276-V280 HydrophobicContact CD1-CG2 3.95Å; Y276-V280 HydrophobicContact CE1-CG2 3.54Å; Y276-V280 HydrophobicContact CE2-CG2 4.37Å; Y276-V280 WeakPolarHBondContact O-CG2 3.38Å; Y276-V280 PolarHBondContact O-N 3.5Å; Y276-F367 AromaticContact CD2-CD2 3.88Å; Y276-F367 HydrophobicContact CD2-CD2 3.88Å; Y276-F367 AromaticContact CD2-CE2 3.49Å; Y276-F367 HydrophobicContact CD2-CE2 3.49Å; Y276-F367 VanDerWaalsContact CD2-CE2 3.49Å; Y276-F367 HydrophobicContact CD2-CZ 4.46Å; Y276-F367 HydrophobicContact CE2-CD2 4.27Å; Y276-F367 AromaticContact CE2-CE2 3.81Å; Y276-F367 HydrophobicContact CE2-CE2 3.81Å; Y276-F367 HydrophobicContact CE2-CZ 4.42Å; Y276-F367 HydrophobicContact CG-CE2 4.1Å; Y276-E370 HydrophobicContact CE2-CB 3.85Å
277T97.9Very high97.7Very high46 Ų4625.5 Ų25.528%0.28214%0.138SC..Hα-helixtrans-63.4-42.6-175.1-56.40000111.6W273 D274 T279 V280 N281W273-T277 HydrophobicContact CB-CG2 3.93Å; W273-T277 HydrophobicContact CD2-CG2 4.07Å; W273-T277 HydrophobicContact CG-CG2 3.63Å; D274-T277 PolarHBondContact O-N 3.13Å; D274-T277 WeakPolarHBondContact OD1-CB 3.39Å; D274-T277 PolarHBondContact OD1-N 3.01Å; D274-T277 PolarHBondContact OD1-OG1 2.85Å; T277-T279 VanDerWaalsContact C-N 3.33Å; T277-T279 PolarHBondContact O-N 2.87Å; T277-V280 PolarHBondContact O-N 2.87Å; T277-N281 WeakPolarHBondContact O-CB 3.29Å; T277-N281 VanDerWaalsContact O-CG 3.29Å; T277-N281 PolarHBondContact O-N 3.43Å; T277-N281 PolarHBondContact O-ND2 3.48Å
278I98.1Very high97.7Very high4 Ų424.4 Ų24.42%0.02113%0.134CC..Hα-helixtrans-64.3-39.6176-170166.8000111.8Y219 W242 W273 D274 I275 Y276 N281 Y282Y219-I278 HydrophobicContact CD2-CG1 4.44Å; Y219-I278 HydrophobicContact CD2-CG2 4.4Å; Y219-I278 HydrophobicContact CE2-CG2 4Å; W242-I278 HydrophobicContact CH2-CD1 3.78Å; W242-I278 HydrophobicContact CZ2-CD1 3.58Å; W273-I278 HydrophobicContact CB-CB 4.15Å; W273-I278 HydrophobicContact CE3-CB 4Å; W273-I278 HydrophobicContact CE3-CG1 4.05Å; D274-I278 WeakPolarHBondContact O-CG2 3.26Å; D274-I278 PolarHBondContact O-N 2.9Å; I275-I278 HydrophobicContact CD1-CG2 4.19Å; I275-I278 VanDerWaalsContact O-CG2 3.32Å; I275-I278 WeakPolarHBondContact O-CG2 3.42Å; Y276-I278 PolarHBondContact O-N 3.05Å; I278-N281 PolarHBondContact O-N 3.35Å; I278-Y282 HydrophobicContact CD1-CE1 4.41Å; I278-Y282 HydrophobicContact CD1-CE2 4.13Å; I278-Y282 HydrophobicContact CG1-CD1 4.25Å; I278-Y282 HydrophobicContact CG1-CD2 4.31Å; I278-Y282 HydrophobicContact CG1-CE1 3.9Å; I278-Y282 HydrophobicContact CG1-CE2 3.94Å; I278-Y282 HydrophobicContact CG1-CG 4.46Å; I278-Y282 WeakPolarHBondContact O-CB 3.46Å; I278-Y282 PolarHBondContact O-N 3.2Å
279T98.3Very high97.8Very high0 Ų020 Ų200%010%0.104CC..Hα-helixtrans-64.7-47.7177.4-52.60000110.8Y219 I275 Y276 T277 N281 Y282 M283 F311 L314 F367Y219-T279 WeakPolarHBondContact CE2-OG1 3.39Å; Y219-T279 PolarHBondContact OH-OG1 3.46Å; I275-T279 WeakPolarHBondContact O-CB 3.27Å; I275-T279 PolarHBondContact O-N 3.01Å; I275-T279 PolarHBondContact O-OG1 2.9Å; Y276-T279 PolarHBondContact O-N 2.72Å; Y276-T279 VanDerWaalsContact O-N 3.16Å; T277-T279 VanDerWaalsContact C-N 3.33Å; T277-T279 PolarHBondContact O-N 2.87Å; T279-N281 PolarHBondContact O-N 2.92Å; T279-Y282 PolarHBondContact O-N 2.91Å; T279-M283 WeakPolarHBondContact O-CB 3.41Å; T279-M283 VanDerWaalsContact O-CG 3.26Å; T279-M283 WeakPolarHBondContact O-CG 3.46Å; T279-M283 PolarHBondContact O-N 3.37Å; T279-F311 HydrophobicContact CG2-CE1 4.4Å; T279-L314 HydrophobicContact CG2-CD1 3.76Å; T279-F367 HydrophobicContact CG2-CD1 4.1Å; T279-F367 HydrophobicContact CG2-CD2 4.11Å; T279-F367 HydrophobicContact CG2-CE1 3.61Å; T279-F367 HydrophobicContact CG2-CE2 3.66Å; T279-F367 HydrophobicContact CG2-CG 4.33Å; T279-F367 HydrophobicContact CG2-CZ 3.38Å
280V98Very high97.8Very high4 Ų416.4 Ų16.42%0.0249%0.085CC..Hα-helixtrans-58.6-47.9176.4170.70000111.3Y276 T277 Y282 M283 K284 F367 L377Y276-V280 HydrophobicContact CD1-CG2 3.95Å; Y276-V280 HydrophobicContact CE1-CG2 3.54Å; Y276-V280 HydrophobicContact CE2-CG2 4.37Å; Y276-V280 WeakPolarHBondContact O-CG2 3.38Å; Y276-V280 PolarHBondContact O-N 3.5Å; T277-V280 PolarHBondContact O-N 2.87Å; V280-Y282 PolarHBondContact O-N 3.46Å; V280-M283 WeakPolarHBondContact O-CB 3.41Å; V280-M283 PolarHBondContact O-N 3.48Å; V280-K284 HydrophobicContact CG1-CD 4.3Å; V280-K284 WeakPolarHBondContact O-CG 3.23Å; V280-K284 PolarHBondContact O-N 3Å; V280-F367 HydrophobicContact CG2-CE2 4.2Å; V280-F367 HydrophobicContact CG2-CZ 3.69Å; V280-L377 HydrophobicContact CG1-CD1 4.36Å; V280-L377 HydrophobicContact CG1-CD2 4.36Å; V280-L377 HydrophobicContact CG1-CG 4.42Å; V280-L377 HydrophobicContact CG2-CD1 4.41Å
281N98Very high97.7Very high16 Ų1618.7 Ų18.79%0.0869%0.093CC..Hα-helixtrans-66.2-37.5-177.7-73.1-18.6000112.5V265 W273 T277 I278 T279 K284 L285V265-N281 HydrophobicContact CG1-CB 3.91Å; V265-N281 HydrophobicContact CG2-CB 4.33Å; W273-N281 VanDerWaalsContact CE2-ND2 3.28Å; W273-N281 HydrophobicContact CE3-CB 4.2Å; W273-N281 HydrophobicContact CH2-CB 3.96Å; W273-N281 VanDerWaalsContact CH2-ND2 3.3Å; W273-N281 WeakPolarHBondContact CH2-ND2 3.43Å; W273-N281 WeakPolarHBondContact CZ2-ND2 3.36Å; W273-N281 HydrophobicContact CZ3-CB 3.69Å; W273-N281 WeakPolarHBondContact CZ3-ND2 3.38Å; T277-N281 WeakPolarHBondContact O-CB 3.29Å; T277-N281 VanDerWaalsContact O-CG 3.29Å; T277-N281 PolarHBondContact O-N 3.43Å; T277-N281 PolarHBondContact O-ND2 3.48Å; I278-N281 PolarHBondContact O-N 3.35Å; T279-N281 PolarHBondContact O-N 2.92Å; N281-K284 PolarHBondContact O-N 3.19Å; N281-L285 PolarHBondContact O-N 3.13Å
282Y98.4Very high97.6Very high0 Ų018.1 Ų18.10%09%0.092CC..Hα-helixtrans-66.9-41.2172.7-73.77.8000110.8F184 L217 P218 Y219 W267 W273 I278 T279 V280 K284 L285 L286 F311F184-Y282 HydrophobicContact CE1-CD2 4.43Å; L217-Y282 HydrophobicContact CB-CD2 4Å; L217-Y282 HydrophobicContact CB-CE1 4.44Å; L217-Y282 HydrophobicContact CB-CE2 3.65Å; L217-Y282 HydrophobicContact CD2-CD1 3.99Å; L217-Y282 HydrophobicContact CD2-CE1 3.78Å; L217-Y282 HydrophobicContact CD2-CE2 4.48Å; L217-Y282 HydrophobicContact CD2-CG 4.41Å; L217-Y282 VanDerWaalsContact O-CE2 3.28Å; L217-Y282 WeakPolarHBondContact O-CE2 3.49Å; P218-Y282 WeakPolarHBondContact O-CE2 3.48Å; P218-Y282 PolarHBondContact O-OH 2.84Å; Y219-Y282 AromaticContact CD2-CD2 3.98Å; Y219-Y282 HydrophobicContact CD2-CD2 3.98Å; Y219-Y282 AromaticContact CD2-CE2 3.99Å; Y219-Y282 HydrophobicContact CD2-CE2 3.99Å; W267-Y282 HydrophobicContact CH2-CD1 4.43Å; W267-Y282 AromaticContact CZ3-CD1 3.87Å; W267-Y282 HydrophobicContact CZ3-CD1 3.87Å; W267-Y282 AromaticContact CZ3-CE1 3.92Å; W267-Y282 HydrophobicContact CZ3-CE1 3.92Å; W273-Y282 HydrophobicContact CZ3-CE1 4.49Å; I278-Y282 HydrophobicContact CD1-CE1 4.41Å; I278-Y282 HydrophobicContact CD1-CE2 4.13Å; I278-Y282 HydrophobicContact CG1-CD1 4.25Å; I278-Y282 HydrophobicContact CG1-CD2 4.31Å; I278-Y282 HydrophobicContact CG1-CE1 3.9Å; I278-Y282 HydrophobicContact CG1-CE2 3.94Å; I278-Y282 HydrophobicContact CG1-CG 4.46Å; I278-Y282 WeakPolarHBondContact O-CB 3.46Å; I278-Y282 PolarHBondContact O-N 3.2Å; T279-Y282 PolarHBondContact O-N 2.91Å; V280-Y282 PolarHBondContact O-N 3.46Å; Y282-K284 PolarHBondContact O-N 3.23Å; Y282-L285 PolarHBondContact O-N 3.41Å; Y282-L286 VanDerWaalsContact O-CG 3.3Å; Y282-L286 WeakPolarHBondContact O-CG 3.41Å; Y282-L286 PolarHBondContact O-N 3.36Å; Y282-F311 HydrophobicContact CD2-CE1 4.43Å; Y282-F311 AromaticContact CD2-CZ 3.91Å; Y282-F311 HydrophobicContact CD2-CZ 3.91Å
283M98.4Very high97.5Very high0 Ų015 Ų150%07%0.072CC..Hα-helixtrans-61.5-41.2175.1-72.5-54.5-62.900112.9T279 V280 L285 L286 L287 F311 L314 L315 L318 L377T279-M283 WeakPolarHBondContact O-CB 3.41Å; T279-M283 VanDerWaalsContact O-CG 3.26Å; T279-M283 WeakPolarHBondContact O-CG 3.46Å; T279-M283 PolarHBondContact O-N 3.37Å; V280-M283 WeakPolarHBondContact O-CB 3.41Å; V280-M283 PolarHBondContact O-N 3.48Å; M283-L285 VanDerWaalsContact C-N 3.32Å; M283-L285 PolarHBondContact O-N 3.07Å; M283-L286 PolarHBondContact O-N 2.78Å; M283-L286 HydrophobicContact SD-CD1 4.36Å; M283-L287 HydrophobicContact CE-CG 4.48Å; M283-L287 VanDerWaalsContact O-CB 3.32Å; M283-L287 WeakPolarHBondContact O-CB 3.28Å; M283-L287 WeakPolarHBondContact O-CG 3.44Å; M283-L287 PolarHBondContact O-N 3.36Å; M283-F311 HydrophobicContact SD-CD1 3.67Å; M283-F311 HydrophobicContact SD-CE1 4.22Å; M283-L314 HydrophobicContact CE-CB 3.65Å; M283-L314 HydrophobicContact CG-CD1 4.22Å; M283-L314 HydrophobicContact SD-CB 3.73Å; M283-L314 HydrophobicContact SD-CD1 4.07Å; M283-L315 HydrophobicContact CE-CB 4.42Å; M283-L315 HydrophobicContact CE-CD2 3.72Å; M283-L315 HydrophobicContact CE-CG 3.83Å; M283-L318 HydrophobicContact CE-CD1 3.46Å; M283-L318 VanDerWaalsContact CE-CD1 3.46Å; M283-L377 HydrophobicContact CB-CD2 3.82Å
284K98Very high97.3Very high13 Ų1318 Ų186%0.05710%0.102CC..Hα-helixtrans-55.1-46.9172.7-77.2174.3174.4174.60111.7L261 V265 V280 N281 Y282 G288 E376 L377L261-K284 HydrophobicContact CB-CB 4.24Å; L261-K284 VanDerWaalsContact CB-O 3.27Å; L261-K284 WeakPolarHBondContact CB-O 3.19Å; L261-K284 WeakPolarHBondContact O-CD 3.33Å; V265-K284 HydrophobicContact CG2-CD 4.01Å; V280-K284 HydrophobicContact CG1-CD 4.3Å; V280-K284 WeakPolarHBondContact O-CG 3.23Å; V280-K284 PolarHBondContact O-N 3Å; N281-K284 PolarHBondContact O-N 3.19Å; Y282-K284 PolarHBondContact O-N 3.23Å; K284-G288 PolarHBondContact O-N 3.29Å; K284-E376 WeakPolarHBondContact CE-OE1 3.49Å; K284-E376 WeakPolarHBondContact CE-OE2 3.23Å; K284-E376 IonicContact NZ-OE1 2.65Å; K284-E376 PolarHBondContact NZ-OE1 2.88Å; K284-E376 IonicContact NZ-OE2 3.23Å; K284-E376 PolarHBondContact NZ-OE2 3.24Å; K284-L377 HydrophobicContact CG-CD2 3.68Å
285L98.3Very high97.1Very high0 Ų017.5 Ų17.50%010%0.099CC..Hα-helixtrans-63.1-53176.5177.763.5000111.4I215 L217 I256 P257 W267 N281 Y282 M283 L287 G288 L289I215-L285 HydrophobicContact CG2-CD2 4.11Å; L217-L285 HydrophobicContact CD1-CD2 4.15Å; L217-L285 HydrophobicContact CD2-CD2 3.86Å; I256-L285 HydrophobicContact CD1-CD2 4.38Å; I256-L285 HydrophobicContact CG2-CD1 3.64Å; I256-L285 HydrophobicContact CG2-CD2 3.74Å; I256-L285 HydrophobicContact CG2-CG 4.33Å; P257-L285 WeakPolarHBondContact O-CD1 3.31Å; W267-L285 HydrophobicContact CH2-CB 3.77Å; W267-L285 HydrophobicContact CH2-CD2 3.84Å; W267-L285 HydrophobicContact CH2-CG 4.35Å; W267-L285 HydrophobicContact CZ2-CB 4.03Å; W267-L285 HydrophobicContact CZ2-CD1 4.47Å; W267-L285 HydrophobicContact CZ2-CD2 4.18Å; W267-L285 HydrophobicContact CZ2-CG 4.46Å; N281-L285 PolarHBondContact O-N 3.13Å; Y282-L285 PolarHBondContact O-N 3.41Å; M283-L285 VanDerWaalsContact C-N 3.32Å; M283-L285 PolarHBondContact O-N 3.07Å; L285-L287 PolarHBondContact O-N 2.97Å; L285-G288 PolarHBondContact O-N 3.22Å; L285-L289 HydrophobicContact CD1-CD1 3.93Å; L285-L289 HydrophobicContact CD1-CD2 4.24Å; L285-L289 HydrophobicContact CD1-CG 3.88Å; L285-L289 HydrophobicContact CG-CD1 3.91Å; L285-L289 HydrophobicContact CG-CG 4.25Å; L285-L289 VanDerWaalsContact O-CG 3.28Å; L285-L289 WeakPolarHBondContact O-CG 3.05Å; L285-L289 PolarHBondContact O-N 3.42Å
286L98.5Very high97.1Very high0 Ų017.3 Ų17.30%010%0.098CC..Hα-helixtrans-60.4-45.8-176.2-64178.5000112.2C182 F184 L217 Y282 M283 L289 L290 L297 L299 F311 L315C182-L286 HydrophobicContact CB-CD2 4.05Å; C182-L286 WeakPolarHBondContact SG-CD2 3.38Å; F184-L286 HydrophobicContact CZ-CD1 4.2Å; L217-L286 HydrophobicContact CD1-CD2 4.26Å; Y282-L286 VanDerWaalsContact O-CG 3.3Å; Y282-L286 WeakPolarHBondContact O-CG 3.41Å; Y282-L286 PolarHBondContact O-N 3.36Å; M283-L286 PolarHBondContact O-N 2.78Å; M283-L286 HydrophobicContact SD-CD1 4.36Å; L286-L289 PolarHBondContact O-N 3.48Å; L286-L290 VanDerWaalsContact O-CB 3.28Å; L286-L290 WeakPolarHBondContact O-CB 3.28Å; L286-L290 PolarHBondContact O-N 2.91Å; L286-L297 HydrophobicContact CB-CD1 4.33Å; L286-L297 HydrophobicContact CD2-CD1 4.34Å; L286-L299 HydrophobicContact CD1-CD1 4.4Å; L286-L299 HydrophobicContact CD1-CD2 4.4Å; L286-L299 HydrophobicContact CD2-CD2 3.86Å; L286-F311 HydrophobicContact CD1-CB 4.21Å; L286-F311 HydrophobicContact CD1-CD1 3.76Å; L286-F311 HydrophobicContact CD1-CE1 4.5Å; L286-F311 HydrophobicContact CD1-CG 4.2Å; L286-L315 HydrophobicContact CB-CD1 4.4Å; L286-L315 HydrophobicContact CB-CD2 4Å; L286-L315 HydrophobicContact CD1-CD1 4.42Å
287L97.7Very high97.1Very high0 Ų015.6 Ų15.60%09%0.092CC..Hα-helixtrans-63.2-41.6175.4-74.9171.7000111.8L261 M283 L285 L290 Y291 L315 L318 L377 L379L261-L287 HydrophobicContact CD1-CB 3.52Å; M283-L287 HydrophobicContact CE-CG 4.48Å; M283-L287 VanDerWaalsContact O-CB 3.32Å; M283-L287 WeakPolarHBondContact O-CB 3.28Å; M283-L287 WeakPolarHBondContact O-CG 3.44Å; M283-L287 PolarHBondContact O-N 3.36Å; L285-L287 PolarHBondContact O-N 2.97Å; L287-L290 PolarHBondContact O-N 2.97Å; L287-Y291 PolarHBondContact O-N 3.35Å; L287-L315 HydrophobicContact CD2-CD2 3.65Å; L287-L315 HydrophobicContact CG-CD2 3.9Å; L287-L318 HydrophobicContact CD1-CD1 3.76Å; L287-L377 HydrophobicContact CD1-CB 4.45Å; L287-L377 HydrophobicContact CD1-CD2 4.2Å; L287-L377 WeakPolarHBondContact CD1-O 3.21Å; L287-L379 HydrophobicContact CB-CD2 4.08Å; L287-L379 HydrophobicContact CB-CG 4.43Å; L287-L379 HydrophobicContact CD2-CD1 4.05Å; L287-L379 HydrophobicContact CD2-CG 4.18Å
288G97.4Very high97.1Very high0 Ų013.4 Ų13.40%08%0.078CC..Hα-helixtrans-64.6-44.1177.600000112.6K284 L285 L290 Y291 E292 Y383K284-G288 PolarHBondContact O-N 3.29Å; L285-G288 PolarHBondContact O-N 3.22Å; G288-L290 VanDerWaalsContact C-N 3.28Å; G288-L290 PolarHBondContact O-N 3.03Å; G288-Y291 PolarHBondContact O-N 3.47Å; G288-E292 WeakPolarHBondContact O-CB 3.48Å; G288-E292 PolarHBondContact O-N 2.96Å; G288-Y383 WeakPolarHBondContact CA-OH 3.38Å
289L97.6Very high97.1Very high1 Ų113.2 Ų13.21%0.0058%0.077CC..Hα-helixtrans-63.2-39.6175.2-67.4176.6000110.9Y180 I215 P257 T259 L285 L286 Y291 G293 L297Y180-L289 HydrophobicContact CD1-CD1 4.16Å; Y180-L289 HydrophobicContact CD1-CD2 3.95Å; Y180-L289 HydrophobicContact CD2-CB 4.31Å; Y180-L289 HydrophobicContact CE1-CD2 3.72Å; Y180-L289 HydrophobicContact CE2-CB 4.42Å; Y180-L289 HydrophobicContact CE2-CD2 4.34Å; Y180-L289 HydrophobicContact CG-CD1 4.11Å; Y180-L289 HydrophobicContact CG-CD2 4.38Å; I215-L289 HydrophobicContact CD1-CD1 3.51Å; P257-L289 HydrophobicContact CB-CD2 3.74Å; P257-L289 HydrophobicContact CG-CD2 3.81Å; T259-L289 HydrophobicContact CG2-CD2 4.13Å; T259-L289 HydrophobicContact CG2-CG 4.47Å; L285-L289 HydrophobicContact CD1-CD1 3.93Å; L285-L289 HydrophobicContact CD1-CD2 4.24Å; L285-L289 HydrophobicContact CD1-CG 3.88Å; L285-L289 HydrophobicContact CG-CD1 3.91Å; L285-L289 HydrophobicContact CG-CG 4.25Å; L285-L289 VanDerWaalsContact O-CG 3.28Å; L285-L289 WeakPolarHBondContact O-CG 3.05Å; L285-L289 PolarHBondContact O-N 3.42Å; L286-L289 PolarHBondContact O-N 3.48Å; L289-Y291 VanDerWaalsContact C-N 3.31Å; L289-Y291 PolarHBondContact O-N 3.15Å; L289-G293 WeakPolarHBondContact O-CA 3.38Å; L289-G293 PolarHBondContact O-N 3.09Å; L289-L297 HydrophobicContact CB-CD2 3.8Å; L289-L297 HydrophobicContact CD1-CD2 4.22Å
290L95.7Very high97.1Very high0 Ų013.2 Ų13.20%08%0.077CC..Hα-helixtrans-64.7-36.3176.8-174.461.2000111.6F106 K109 I111 L286 L287 G288 L297 L319F106-L290 HydrophobicContact CB-CD1 4.34Å; F106-L290 HydrophobicContact CB-CD2 4.11Å; F106-L290 HydrophobicContact CB-CG 4.43Å; F106-L290 HydrophobicContact CD1-CD1 4.21Å; F106-L290 HydrophobicContact CD1-CD2 3.85Å; F106-L290 HydrophobicContact CD1-CG 3.68Å; F106-L290 HydrophobicContact CE1-CG 4.42Å; F106-L290 HydrophobicContact CG-CD2 4.26Å; F106-L290 HydrophobicContact CG-CG 4.46Å; K109-L290 HydrophobicContact CB-CD1 3.96Å; K109-L290 HydrophobicContact CD-CD1 4.45Å; K109-L290 WeakPolarHBondContact CD-O 3.37Å; K109-L290 WeakPolarHBondContact CE-O 3.4Å; K109-L290 PolarHBondContact NZ-O 2.86Å; I111-L290 HydrophobicContact CD1-CD1 3.57Å; I111-L290 HydrophobicContact CD1-CD2 3.99Å; I111-L290 HydrophobicContact CD1-CG 4.45Å; I111-L290 HydrophobicContact CG1-CD1 3.98Å; I111-L290 HydrophobicContact CG1-CD2 4.17Å; L286-L290 VanDerWaalsContact O-CB 3.28Å; L286-L290 WeakPolarHBondContact O-CB 3.28Å; L286-L290 PolarHBondContact O-N 2.91Å; L287-L290 PolarHBondContact O-N 2.97Å; G288-L290 VanDerWaalsContact C-N 3.28Å; G288-L290 PolarHBondContact O-N 3.03Å; L290-L297 HydrophobicContact CB-CD1 4.24Å; L290-L319 HydrophobicContact CD2-CD1 3.86Å; L290-L319 HydrophobicContact CD2-CD2 4.46Å
291Y95.4Very high97Very high57 Ų5713.1 Ų13.122%0.2248%0.076CC..Hα-helixtrans-80.4-55.8177.8-164.9-95.8000113.3F106 K107 K109 L287 G288 L289 L379 Y383 I385F106-Y291 HydrophobicContact CE1-CD2 4.31Å; K107-Y291 HydrophobicContact CD-CE2 4.43Å; K107-Y291 PolarHBondContact NZ-OH 3.42Å; K109-Y291 PolarHBondContact NZ-O 3.44Å; L287-Y291 PolarHBondContact O-N 3.35Å; G288-Y291 PolarHBondContact O-N 3.47Å; L289-Y291 VanDerWaalsContact C-N 3.31Å; L289-Y291 PolarHBondContact O-N 3.15Å; Y291-L379 HydrophobicContact CD2-CD2 4.42Å; Y291-L379 HydrophobicContact CG-CD2 4.37Å; Y291-Y383 AromaticContact CD1-CD1 3.37Å; Y291-Y383 HydrophobicContact CD1-CD1 3.37Å; Y291-Y383 AromaticContact CD1-CD2 3.77Å; Y291-Y383 HydrophobicContact CD1-CD2 3.77Å; Y291-Y383 AromaticContact CD1-CE1 3.52Å; Y291-Y383 HydrophobicContact CD1-CE1 3.52Å; Y291-Y383 AromaticContact CD1-CE2 3.91Å; Y291-Y383 HydrophobicContact CD1-CE2 3.91Å; Y291-Y383 AromaticContact CD1-CG 3.5Å; Y291-Y383 HydrophobicContact CD1-CG 3.5Å; Y291-Y383 AromaticContact CD1-CZ 3.78Å; Y291-Y383 HydrophobicContact CD2-CD2 4.38Å; Y291-Y383 AromaticContact CE1-CD1 3.38Å; Y291-Y383 HydrophobicContact CE1-CD1 3.38Å; Y291-Y383 HydrophobicContact CE1-CD2 4.09Å; Y291-Y383 HydrophobicContact CE1-CE1 4.02Å; Y291-Y383 AromaticContact CE1-CG 3.42Å; Y291-Y383 HydrophobicContact CE1-CG 3.42Å; Y291-Y383 VanDerWaalsContact CE1-CG 3.42Å; Y291-Y383 HydrophobicContact CG-CD1 4.34Å; Y291-Y383 AromaticContact CG-CD2 3.93Å; Y291-Y383 HydrophobicContact CG-CD2 3.93Å; Y291-Y383 HydrophobicContact CG-CE1 4.36Å; Y291-Y383 AromaticContact CG-CE2 3.98Å; Y291-Y383 HydrophobicContact CG-CE2 3.98Å; Y291-Y383 HydrophobicContact CG-CG 4.12Å; Y291-Y383 AromaticContact CZ-CG 3.98Å; Y291-I385 HydrophobicContact CD2-CD1 4Å; Y291-I385 HydrophobicContact CE2-CD1 3.28Å; Y291-I385 HydrophobicContact CE2-CG1 3.93Å
292E95.2Very high96.7Very high94 Ų9412.9 Ų12.944%0.4398%0.076SC..Hα-helixtrans-90.3-27.2-172.8-65.1179.7-118.900114.2T259 L260 G288 Y383T259-E292 VanDerWaalsContact CA-OE1 3.26Å; T259-E292 WeakPolarHBondContact CA-OE1 3.45Å; T259-E292 VanDerWaalsContact CB-OE1 3.22Å; T259-E292 WeakPolarHBondContact CB-OE1 3.31Å; L260-E292 PolarHBondContact N-OE1 3.4Å; G288-E292 WeakPolarHBondContact O-CB 3.48Å; G288-E292 PolarHBondContact O-N 2.96Å; E292-Y383 HydrophobicContact CG-CE1 3.64Å; E292-Y383 VanDerWaalsContact OE1-CE1 3.29Å; E292-Y383 WeakPolarHBondContact OE1-CE1 3.21Å; E292-Y383 PolarHBondContact OE1-OH 2.94Å
293G94.9Very high96.4Very high8 Ų813.5 Ų13.58%0.0828%0.08CC..SBendtrans-68162.3-169.800000114.2K109 Y180 L289 G295K109-G293 WeakPolarHBondContact CE-O 3.49Å; K109-G293 PolarHBondContact NZ-O 3.37Å; Y180-G293 WeakPolarHBondContact OH-CA 3.42Å; L289-G293 WeakPolarHBondContact O-CA 3.38Å; L289-G293 PolarHBondContact O-N 3.09Å; G293-G295 VanDerWaalsContact C-N 3.29Å; G293-G295 PolarHBondContact O-N 3.31Å
294A93.3Very high96.3Very high85 Ų8513.5 Ų13.570%0.7028%0.08SC*.SBendtrans-72.5-18.4-17300000114.4T179 Y180T179-A294 HydrophobicContact CG2-CB 4.4Å; Y180-A294 PolarHBondContact OH-N 2.95Å; Y180-A294 VanDerWaalsContact OH-N 3.09Å
295G94.5Very high96.2Very high0 Ų014 Ų140%08%0.082CC..SBendtrans-163-164.5-178.700000112.9T179 G293T179-G295 VanDerWaalsContact OG1-CA 3.26Å; T179-G295 WeakPolarHBondContact OG1-CA 3.16Å; T179-G295 PolarHBondContact OG1-N 2.84Å; G293-G295 VanDerWaalsContact C-N 3.29Å; G293-G295 PolarHBondContact O-N 3.31Å
296G96.7Very high96.1Very high0 Ų014.6 Ų14.60%08%0.084CC..EExtended strand (participates in β ladder)trans-70.9174.2-176.600000115.1N110 N177 T179 Y180N110-G296 CarbonylContact O-C 3.54Å; N110-G296 WeakPolarHBondContact O-CA 3.36Å; N177-G296 WeakPolarHBondContact O-CA 3.5Å; N177-G296 PolarHBondContact O-N 2.87Å; T179-G296 PolarHBondContact N-O 3.06Å; Y180-G296 PolarHBondContact N-O 3.27Å; Y180-G296 VanDerWaalsContact N-O 3.11Å
297L98.4Very high96.1Very high0 Ų015.5 Ų15.50%09%0.088CC..EExtended strand (participates in β ladder)trans-111.1138.6179.5-54.8180000109.6N110 C112 Y180 L286 L289 L290 L299 L315N110-L297 PolarHBondContact O-N 3.03Å; C112-L297 PolarHBondContact N-O 3.33Å; Y180-L297 HydrophobicContact CD2-CD2 3.87Å; Y180-L297 HydrophobicContact CG-CD2 4.14Å; Y180-L297 CarbonylContact O-C 3.09Å; Y180-L297 WeakPolarHBondContact O-CA 3.47Å; L286-L297 HydrophobicContact CB-CD1 4.33Å; L286-L297 HydrophobicContact CD2-CD1 4.34Å; L289-L297 HydrophobicContact CB-CD2 3.8Å; L289-L297 HydrophobicContact CD1-CD2 4.22Å; L290-L297 HydrophobicContact CB-CD1 4.24Å; L297-L299 HydrophobicContact CB-CD2 4.09Å; L297-L315 HydrophobicContact CD1-CD1 4.32Å
298L98.5Very high96.2Very high0 Ų015.5 Ų15.50%09%0.088CC..EExtended strand (participates in β ladder)trans-109.4112.3161.717655.9000109V100 C112 C114 I173 V178 Y180 I181 C182V100-L298 HydrophobicContact CB-CD1 4.48Å; V100-L298 HydrophobicContact CG1-CD1 3.61Å; V100-L298 HydrophobicContact CG1-CD2 4.23Å; V100-L298 HydrophobicContact CG2-CD1 4.22Å; V100-L298 HydrophobicContact CG2-CD2 3.85Å; C112-L298 HydrophobicContact CB-CD1 3.74Å; C114-L298 HydrophobicContact CB-CD1 4.13Å; C114-L298 WeakPolarHBondContact SG-CD1 3.26Å; I173-L298 HydrophobicContact CD1-CD2 3.93Å; I173-L298 HydrophobicContact CG1-CD2 4.18Å; V178-L298 HydrophobicContact CG1-CB 3.76Å; V178-L298 HydrophobicContact CG2-CB 4.49Å; Y180-L298 PolarHBondContact O-N 3.47Å; I181-L298 HydrophobicContact CG1-CB 4.31Å; I181-L298 HydrophobicContact CG1-CD2 4.3Å; I181-L298 HydrophobicContact CG2-CD2 4.34Å; C182-L298 PolarHBondContact N-O 2.93Å
299L98.7Very high96.2Very high0 Ų015.5 Ų15.50%09%0.088CC..EExtended strand (participates in β ladder)trans-98.9124.9178.4-55.6-164.6000110.2I111 C112 R113 C114 C182 F184 L286 L297 T308 F311 I312 L315I111-L299 HydrophobicContact CG2-CD1 4.33Å; I111-L299 HydrophobicContact CG2-CG 4.44Å; C112-L299 PolarHBondContact O-N 3.18Å; R113-L299 WeakPolarHBondContact CA-O 3.44Å; C114-L299 PolarHBondContact N-O 3.44Å; C182-L299 HydrophobicContact CB-CD2 3.6Å; F184-L299 HydrophobicContact CE2-CB 4.05Å; F184-L299 HydrophobicContact CZ-CD2 4.31Å; L286-L299 HydrophobicContact CD1-CD1 4.4Å; L286-L299 HydrophobicContact CD1-CD2 4.4Å; L286-L299 HydrophobicContact CD2-CD2 3.86Å; L297-L299 HydrophobicContact CB-CD2 4.09Å; L299-T308 HydrophobicContact CB-CG2 4.47Å; L299-T308 VanDerWaalsContact O-CG2 3.31Å; L299-T308 WeakPolarHBondContact O-CG2 3.41Å; L299-F311 HydrophobicContact CD1-CB 3.91Å; L299-I312 HydrophobicContact CB-CD1 4.32Å; L299-I312 HydrophobicContact CD1-CD1 3.74Å; L299-I312 HydrophobicContact CD1-CG1 4.19Å; L299-I312 HydrophobicContact CG-CD1 4.2Å; L299-L315 HydrophobicContact CD1-CD1 3.78Å
300H97.6Very high96.3Very high0 Ų015.5 Ų15.50%09%0.088CC..EExtended strand (participates in β ladder)trans-149161.717771.896.9000113.8C114 I181 C182 D183 F184 E201 T308C114-H300 WeakPolarHBondContact O-CB 3.4Å; C114-H300 VanDerWaalsContact SG-CB 3.52Å; I181-H300 WeakPolarHBondContact CG2-NE2 3.35Å; C182-H300 PolarHBondContact O-N 3.06Å; C182-H300 VanDerWaalsContact O-N 3.16Å; D183-H300 WeakPolarHBondContact CB-NE2 3.45Å; D183-H300 IonicContact OD1-CE1 3.86Å; D183-H300 IonicContact OD1-ND1 3.97Å; D183-H300 IonicContact OD2-CE1 3.7Å; F184-H300 WeakPolarHBondContact CD2-O 3.2Å; F184-H300 PolarHBondContact N-O 3.04Å; E201-H300 IonicContact OE1-CD2 3.45Å; E201-H300 IonicContact OE1-CE1 3.71Å; E201-H300 IonicContact OE1-NE2 3.18Å; E201-H300 PolarHBondContact OE1-NE2 2.92Å; E201-H300 IonicContact OE2-CE1 2.85Å; E201-H300 PolarHBondContact OE2-CE1 3.46Å; E201-H300 IonicContact OE2-NE2 2.81Å; E201-H300 PolarHBondContact OE2-NE2 3.34Å; H300-T308 WeakPolarHBondContact CA-OG1 3.34Å
301C94.8Very high96.4Very high1 Ų115.5 Ų15.51%0.0079%0.088CC..EExtended strand (participates in β ladder)trans-138.1-167.8163.8690000108T116 F184 S303 G304 R307 T308T116-C301 PolarHBondContact N-O 3.22Å; T116-C301 VanDerWaalsContact N-O 3.07Å; F184-C301 HydrophobicContact CB-CB 4.2Å; C301-S303 PolarHBondContact O-N 3.43Å; C301-G304 PolarHBondContact O-N 2.91Å; C301-G304 PolarHBondContact SG-N 3.48Å; C301-G304 VanDerWaalsContact SG-N 3.43Å; C301-R307 HydrophobicContact CB-CB 4.07Å; C301-T308 PolarHBondContact N-OG1 2.82Å
302V92.5Very high96.6Very high12 Ų1212.8 Ų12.87%0.0738%0.077CC..SBendtrans-49.4-63.1-176.8-174.70000112S115 T116 M185 K190S115-V302 WeakPolarHBondContact CB-O 3.49Å; T116-V302 PolarHBondContact N-O 3.26Å; M185-V302 HydrophobicContact CE-CG2 3.9Å; M185-V302 HydrophobicContact CG-CG2 3.75Å; M185-V302 HydrophobicContact SD-CB 4.47Å; M185-V302 HydrophobicContact SD-CG2 3.9Å; K190-V302 HydrophobicContact CB-CG1 4.02Å; K190-V302 HydrophobicContact CD-CG1 4.28Å; K190-V302 HydrophobicContact CD-CG2 4.33Å; K190-V302 HydrophobicContact CG-CG1 4.02Å
303S92.8Very high96.8Very high13 Ų138.3 Ų8.39%0.0916%0.056CC..SBendtrans-94.1-15.8-178.9-48.20000113.3R96 R98 C301 W305R96-S303 VanDerWaalsContact CZ-OG 3.22Å; R96-S303 PolarHBondContact NH1-OG 2.92Å; R96-S303 PolarHBondContact NH2-OG 3.2Å; R98-S303 WeakPolarHBondContact CD-O 3.25Å; R98-S303 PolarHBondContact NE-O 2.79Å; C301-S303 PolarHBondContact O-N 3.43Å; S303-W305 VanDerWaalsContact C-N 3.34Å; S303-W305 PolarHBondContact O-N 3.47Å; S303-W305 WeakPolarHBondContact OG-CZ2 3.12Å
304G95.7Very high97Very high0 Ų07.9 Ų7.90%05%0.052CC..SBendtrans72.219.3-176.900000115.6R98 C114 C301 T308R98-G304 PolarHBondContact NH2-O 3.44Å; C114-G304 VanDerWaalsContact O-CA 3.25Å; C114-G304 WeakPolarHBondContact O-CA 3.17Å; C301-G304 PolarHBondContact O-N 2.91Å; C301-G304 PolarHBondContact SG-N 3.48Å; C301-G304 VanDerWaalsContact SG-N 3.43Å; G304-T308 WeakPolarHBondContact CA-OG1 3.44Å
305W95.6Very high97.2Very high24 Ų243.9 Ų3.99%0.0912%0.019CC..SBendtrans-126.20.1-173.263.939.4000115.6R96 S303 P309 H348 K349R96-W305 VanDerWaalsContact CZ-CH2 3.42Å; R96-W305 VanDerWaalsContact NE-CZ3 3.33Å; S303-W305 VanDerWaalsContact C-N 3.34Å; S303-W305 PolarHBondContact O-N 3.47Å; S303-W305 WeakPolarHBondContact OG-CZ2 3.12Å; W305-P309 VanDerWaalsContact C-CD 3.47Å; W305-P309 VanDerWaalsContact C-CG 3.44Å; W305-P309 VanDerWaalsContact O-CG 3.29Å; W305-P309 WeakPolarHBondContact O-CG 3.45Å; W305-H348 PolarHBondContact O-ND1 2.96Å; W305-K349 HydrophobicContact CD2-CG 4.15Å; W305-K349 HydrophobicContact CE3-CG 4.39Å; W305-K349 HydrophobicContact CZ2-CG 4.31Å
306D97.4Very high97.4Very high11 Ų113.9 Ų3.96%0.0592%0.019CC..SBendtrans-119.7-77.2177.1-63.1-56.2000110.7T308 P309 L310 H348 R353 I360D306-T308 VanDerWaalsContact C-N 3.31Å; D306-T308 PolarHBondContact O-N 3.32Å; D306-P309 WeakPolarHBondContact O-CD 3.32Å; D306-P309 WeakPolarHBondContact O-CG 3.22Å; D306-L310 PolarHBondContact O-N 2.98Å; D306-H348 IonicContact OD1-CE1 3.73Å; D306-H348 PolarHBondContact OD1-CE1 3.01Å; D306-H348 IonicContact OD1-ND1 3.41Å; D306-R353 IonicContact OD1-CZ 3.5Å; D306-R353 IonicContact OD1-NE 2.67Å; D306-R353 PolarHBondContact OD1-NE 2.89Å; D306-R353 IonicContact OD1-NH2 3.41Å; D306-R353 PolarHBondContact OD1-NH2 3.01Å; D306-R353 IonicContact OD2-CZ 2.68Å; D306-R353 IonicContact OD2-NE 2.77Å; D306-R353 IonicContact OD2-NH2 3.98Å; D306-R353 PolarHBondContact OD2-NH2 2.68Å; D306-I360 HydrophobicContact CB-CD1 4.04Å
307R98.3Very high97.5Very high20 Ų203.9 Ų3.98%0.0752%0.019CC..Hα-helixtrans-63.4-35.9178.6-67.8167.5-84.1-163.7-4.9112.9F184 Y219 P220 C301 L310 F311F184-R307 HydrophobicContact CB-CB 4.17Å; F184-R307 HydrophobicContact CD2-CB 4.36Å; F184-R307 HydrophobicContact CG-CB 4.49Å; F184-R307 PolarHBondContact O-NH1 3.24Å; Y219-R307 HydrophobicContact CD1-CG 3.81Å; Y219-R307 HydrophobicContact CE1-CG 4.49Å; Y219-R307 WeakPolarHBondContact O-CD 3.2Å; Y219-R307 PolarHBondContact O-NH1 3.48Å; P220-R307 VanDerWaalsContact O-CD 3.3Å; P220-R307 WeakPolarHBondContact O-CD 3.45Å; C301-R307 HydrophobicContact CB-CB 4.07Å; R307-L310 WeakPolarHBondContact O-CB 3.4Å; R307-L310 PolarHBondContact O-N 3.38Å; R307-F311 VanDerWaalsContact O-CD2 3.27Å; R307-F311 WeakPolarHBondContact O-CD2 3.28Å; R307-F311 PolarHBondContact O-N 3.39Å
308T98.7Very high97.4Very high0 Ų03.9 Ų3.90%02%0.019CC..Hα-helixtrans-61.9-55.6179.5-57.50000112.2R113 L299 H300 C301 G304 D306 L310 F311 I312R113-T308 HydrophobicContact CB-CG2 3.73Å; L299-T308 HydrophobicContact CB-CG2 4.47Å; L299-T308 VanDerWaalsContact O-CG2 3.31Å; L299-T308 WeakPolarHBondContact O-CG2 3.41Å; H300-T308 WeakPolarHBondContact CA-OG1 3.34Å; C301-T308 PolarHBondContact N-OG1 2.82Å; G304-T308 WeakPolarHBondContact CA-OG1 3.44Å; D306-T308 VanDerWaalsContact C-N 3.31Å; D306-T308 PolarHBondContact O-N 3.32Å; T308-L310 VanDerWaalsContact C-N 3.28Å; T308-L310 PolarHBondContact O-N 3Å; T308-F311 PolarHBondContact O-N 2.95Å; T308-I312 HydrophobicContact CG2-CG1 4.29Å; T308-I312 VanDerWaalsContact O-CG1 3.26Å; T308-I312 WeakPolarHBondContact O-CG1 3.4Å; T308-I312 PolarHBondContact O-N 3.19Å
309P98.7Very high97.3Very high0 Ų03.9 Ų3.90%02%0.019CC..Hα-helixtrans-63.3-30.1176.523.6-33.2000113.9W305 D306 C313 D342 W343W305-P309 VanDerWaalsContact C-CD 3.47Å; W305-P309 VanDerWaalsContact C-CG 3.44Å; W305-P309 VanDerWaalsContact O-CG 3.29Å; W305-P309 WeakPolarHBondContact O-CG 3.45Å; D306-P309 WeakPolarHBondContact O-CD 3.32Å; D306-P309 WeakPolarHBondContact O-CG 3.22Å; P309-C313 WeakPolarHBondContact O-CB 3.27Å; P309-C313 PolarHBondContact O-N 3.23Å; P309-D342 VanDerWaalsContact CB-O 3.27Å; P309-D342 WeakPolarHBondContact CB-O 3.41Å; P309-W343 HydrophobicContact CB-CD2 3.77Å; P309-W343 HydrophobicContact CB-CE3 3.86Å; P309-W343 HydrophobicContact CB-CG 4.27Å; P309-W343 HydrophobicContact CB-CH2 4.37Å; P309-W343 HydrophobicContact CB-CZ2 4.27Å; P309-W343 HydrophobicContact CB-CZ3 4.18Å; P309-W343 HydrophobicContact CG-CD2 4.25Å; P309-W343 HydrophobicContact CG-CE3 3.81Å; P309-W343 HydrophobicContact CG-CH2 4.22Å; P309-W343 HydrophobicContact CG-CZ3 3.81Å
310L98.8Very high97.2Very high0 Ų03.9 Ų3.90%02%0.019CC..Hα-helixtrans-52.6-59.8169.5164.668.7000110.9Y219 D306 R307 T308 I312 C313 L314 W343 F363 T364Y219-L310 HydrophobicContact CE1-CD2 3.56Å; D306-L310 PolarHBondContact O-N 2.98Å; R307-L310 WeakPolarHBondContact O-CB 3.4Å; R307-L310 PolarHBondContact O-N 3.38Å; T308-L310 VanDerWaalsContact C-N 3.28Å; T308-L310 PolarHBondContact O-N 3Å; L310-I312 PolarHBondContact O-N 2.81Å; L310-C313 PolarHBondContact O-N 3.24Å; L310-L314 HydrophobicContact CD1-CD1 3.78Å; L310-L314 HydrophobicContact CD1-CG 4.14Å; L310-L314 HydrophobicContact CG-CD1 4.29Å; L310-L314 VanDerWaalsContact O-CG 3.28Å; L310-L314 WeakPolarHBondContact O-CG 3.11Å; L310-L314 PolarHBondContact O-N 2.65Å; L310-W343 HydrophobicContact CB-CH2 4.2Å; L310-W343 HydrophobicContact CB-CZ2 4.23Å; L310-F363 HydrophobicContact CD1-CD1 4.12Å; L310-F363 HydrophobicContact CD1-CE1 4.12Å; L310-F363 HydrophobicContact CD2-CE1 4.38Å; L310-T364 HydrophobicContact CD1-CG2 3.8Å; L310-T364 WeakPolarHBondContact CD1-OG1 3.3Å
311F98.8Very high97.2Very high0 Ų04 Ų40%02%0.02CC..Hα-helixtrans-70.1-32.4-176.6-74-74.7000113.6F184 Y219 T279 Y282 M283 L286 L299 R307 T308 L315F184-F311 AromaticContact CD1-CD2 3.98Å; F184-F311 HydrophobicContact CD1-CD2 3.98Å; F184-F311 AromaticContact CD1-CE2 3.74Å; F184-F311 HydrophobicContact CD1-CE2 3.74Å; F184-F311 HydrophobicContact CD1-CZ 4.43Å; F184-F311 AromaticContact CD2-CD2 3.93Å; F184-F311 HydrophobicContact CD2-CD2 3.93Å; F184-F311 HydrophobicContact CD2-CE2 4.38Å; F184-F311 HydrophobicContact CE1-CD1 4.43Å; F184-F311 AromaticContact CE1-CD2 3.53Å; F184-F311 HydrophobicContact CE1-CD2 3.53Å; F184-F311 HydrophobicContact CE1-CE1 4.44Å; F184-F311 AromaticContact CE1-CE2 3.55Å; F184-F311 HydrophobicContact CE1-CE2 3.55Å; F184-F311 HydrophobicContact CE1-CG 4.01Å; F184-F311 HydrophobicContact CE1-CZ 4.03Å; F184-F311 HydrophobicContact CE2-CB 4.03Å; F184-F311 AromaticContact CE2-CD2 3.44Å; F184-F311 HydrophobicContact CE2-CD2 3.44Å; F184-F311 VanDerWaalsContact CE2-CD2 3.44Å; F184-F311 HydrophobicContact CE2-CE2 4.2Å; F184-F311 AromaticContact CE2-CG 3.94Å; F184-F311 HydrophobicContact CE2-CG 3.94Å; F184-F311 HydrophobicContact CG-CD2 4.19Å; F184-F311 HydrophobicContact CG-CE2 4.18Å; F184-F311 HydrophobicContact CZ-CB 3.84Å; F184-F311 HydrophobicContact CZ-CD1 4.2Å; F184-F311 AromaticContact CZ-CD2 3.24Å; F184-F311 HydrophobicContact CZ-CD2 3.24Å; F184-F311 AromaticContact CZ-CE2 3.81Å; F184-F311 HydrophobicContact CZ-CE2 3.81Å; F184-F311 AromaticContact CZ-CG 3.49Å; F184-F311 HydrophobicContact CZ-CG 3.49Å; F184-F311 VanDerWaalsContact CZ-CG 3.49Å; F184-F311 HydrophobicContact CZ-CZ 4.48Å; Y219-F311 HydrophobicContact CD1-CE2 4.16Å; Y219-F311 AromaticContact CD2-CE2 3.99Å; Y219-F311 HydrophobicContact CD2-CE2 3.99Å; Y219-F311 AromaticContact CD2-CZ 3.68Å; Y219-F311 HydrophobicContact CD2-CZ 3.68Å; Y219-F311 HydrophobicContact CE1-CE2 4.36Å; Y219-F311 HydrophobicContact CE2-CE2 4.22Å; Y219-F311 AromaticContact CE2-CZ 3.71Å; Y219-F311 HydrophobicContact CE2-CZ 3.71Å; Y219-F311 AromaticContact CG-CE2 3.95Å; Y219-F311 HydrophobicContact CG-CE2 3.95Å; Y219-F311 HydrophobicContact CG-CZ 4.14Å; T279-F311 HydrophobicContact CG2-CE1 4.4Å; Y282-F311 HydrophobicContact CD2-CE1 4.43Å; Y282-F311 AromaticContact CD2-CZ 3.91Å; Y282-F311 HydrophobicContact CD2-CZ 3.91Å; M283-F311 HydrophobicContact SD-CD1 3.67Å; M283-F311 HydrophobicContact SD-CE1 4.22Å; L286-F311 HydrophobicContact CD1-CB 4.21Å; L286-F311 HydrophobicContact CD1-CD1 3.76Å; L286-F311 HydrophobicContact CD1-CE1 4.5Å; L286-F311 HydrophobicContact CD1-CG 4.2Å; L299-F311 HydrophobicContact CD1-CB 3.91Å; R307-F311 VanDerWaalsContact O-CD2 3.27Å; R307-F311 WeakPolarHBondContact O-CD2 3.28Å; R307-F311 PolarHBondContact O-N 3.39Å; T308-F311 PolarHBondContact O-N 2.95Å; F311-L315 WeakPolarHBondContact O-CB 3.14Å; F311-L315 WeakPolarHBondContact O-CG 3.49Å; F311-L315 PolarHBondContact O-N 2.91Å
312I98.8Very high97.1Very high0 Ų04.2 Ų4.20%02%0.021CC..Hα-helixtrans-62.4-48.9173.4-68.6-68.3000110.7F104 I111 R113 L299 T308 L310 L315 R316 D342F104-I312 HydrophobicContact CE1-CG2 4.06Å; I111-I312 HydrophobicContact CG2-CD1 3.44Å; I111-I312 VanDerWaalsContact CG2-CD1 3.44Å; R113-I312 HydrophobicContact CB-CD1 4.4Å; R113-I312 HydrophobicContact CB-CG1 4.43Å; L299-I312 HydrophobicContact CB-CD1 4.32Å; L299-I312 HydrophobicContact CD1-CD1 3.74Å; L299-I312 HydrophobicContact CD1-CG1 4.19Å; L299-I312 HydrophobicContact CG-CD1 4.2Å; T308-I312 HydrophobicContact CG2-CG1 4.29Å; T308-I312 VanDerWaalsContact O-CG1 3.26Å; T308-I312 WeakPolarHBondContact O-CG1 3.4Å; T308-I312 PolarHBondContact O-N 3.19Å; L310-I312 PolarHBondContact O-N 2.81Å; I312-L315 PolarHBondContact O-N 3.19Å; I312-R316 PolarHBondContact O-N 3.14Å; I312-D342 HydrophobicContact CG2-CB 4.1Å; I312-D342 WeakPolarHBondContact CG2-OD1 3.47Å
313C98.8Very high97.1Very high0 Ų05.6 Ų5.60%03%0.028CC..Hα-helixtrans-59.8-49.2178.6-179.30000110.7P309 L310 L315 R316 C317 D342 T364P309-C313 WeakPolarHBondContact O-CB 3.27Å; P309-C313 PolarHBondContact O-N 3.23Å; L310-C313 PolarHBondContact O-N 3.24Å; C313-L315 PolarHBondContact O-N 3.18Å; C313-R316 PolarHBondContact O-N 2.98Å; C313-C317 WeakPolarHBondContact O-CB 3.42Å; C313-C317 PolarHBondContact O-N 3.17Å; C313-C317 PolarHBondContact O-SG 3.23Å; C313-D342 HydrophobicContact CB-CB 4.44Å; C313-T364 HydrophobicContact CB-CG2 4.18Å
314L98.8Very high97.1Very high0 Ų06.4 Ų6.40%03%0.031CC..Hα-helixtrans-59.7-44.1179.4-67-179.4000112.4T279 M283 L310 C317 L318 T364 F367 I368 M371T279-L314 HydrophobicContact CG2-CD1 3.76Å; M283-L314 HydrophobicContact CE-CB 3.65Å; M283-L314 HydrophobicContact CG-CD1 4.22Å; M283-L314 HydrophobicContact SD-CB 3.73Å; M283-L314 HydrophobicContact SD-CD1 4.07Å; L310-L314 HydrophobicContact CD1-CD1 3.78Å; L310-L314 HydrophobicContact CD1-CG 4.14Å; L310-L314 HydrophobicContact CG-CD1 4.29Å; L310-L314 VanDerWaalsContact O-CG 3.28Å; L310-L314 WeakPolarHBondContact O-CG 3.11Å; L310-L314 PolarHBondContact O-N 2.65Å; L314-C317 PolarHBondContact O-N 3.29Å; L314-L318 WeakPolarHBondContact O-CB 3.35Å; L314-L318 VanDerWaalsContact O-CG 3.29Å; L314-L318 WeakPolarHBondContact O-CG 3.25Å; L314-L318 PolarHBondContact O-N 3.28Å; L314-T364 HydrophobicContact CD2-CG2 4.13Å; L314-T364 HydrophobicContact CG-CG2 4.4Å; L314-F367 HydrophobicContact CD1-CD1 3.91Å; L314-F367 HydrophobicContact CD1-CE1 4.05Å; L314-F367 HydrophobicContact CD2-CD1 3.72Å; L314-F367 HydrophobicContact CD2-CE1 4.38Å; L314-F367 HydrophobicContact CG-CD1 4.49Å; L314-I368 HydrophobicContact CD2-CD1 4.4Å; L314-I368 HydrophobicContact CD2-CG1 3.73Å; L314-M371 HydrophobicContact CD2-CE 3.7Å; L314-M371 HydrophobicContact CD2-SD 4.29Å
315L98.6Very high97Very high0 Ų07 Ų70%03%0.034CC..Hα-helixtrans-61.5-46176.3-77.7170.6000111.5F104 I111 M283 L286 L287 L297 L299 F311 I312 C313 L318 L319F104-L315 HydrophobicContact CZ-CB 3.86Å; I111-L315 HydrophobicContact CG2-CD1 4.1Å; M283-L315 HydrophobicContact CE-CB 4.42Å; M283-L315 HydrophobicContact CE-CD2 3.72Å; M283-L315 HydrophobicContact CE-CG 3.83Å; L286-L315 HydrophobicContact CB-CD1 4.4Å; L286-L315 HydrophobicContact CB-CD2 4Å; L286-L315 HydrophobicContact CD1-CD1 4.42Å; L287-L315 HydrophobicContact CD2-CD2 3.65Å; L287-L315 HydrophobicContact CG-CD2 3.9Å; L297-L315 HydrophobicContact CD1-CD1 4.32Å; L299-L315 HydrophobicContact CD1-CD1 3.78Å; F311-L315 WeakPolarHBondContact O-CB 3.14Å; F311-L315 WeakPolarHBondContact O-CG 3.49Å; F311-L315 PolarHBondContact O-N 2.91Å; I312-L315 PolarHBondContact O-N 3.19Å; C313-L315 PolarHBondContact O-N 3.18Å; L315-L318 PolarHBondContact O-N 2.77Å; L315-L319 WeakPolarHBondContact O-CD1 3.36Å; L315-L319 VanDerWaalsContact O-CG 3.28Å; L315-L319 WeakPolarHBondContact O-CG 3.1Å; L315-L319 PolarHBondContact O-N 2.85Å
316R98.1Very high96.9Very high0 Ų05.9 Ų5.90%03%0.03CC..Hα-helixtrans-61.6-46.7-179.9-162.7-166.5-73-85-2.5111.1S103 F104 I312 C313 L319 W320 M325 H326 M334 D342S103-R316 PolarHBondContact O-NH2 3.46Å; F104-R316 HydrophobicContact CD1-CB 4.45Å; F104-R316 HydrophobicContact CD1-CG 4.42Å; F104-R316 VanDerWaalsContact CD1-CZ 3.49Å; F104-R316 VanDerWaalsContact CD1-NH2 3.34Å; F104-R316 HydrophobicContact CE1-CB 3.84Å; F104-R316 HydrophobicContact CE1-CG 4.28Å; F104-R316 HydrophobicContact CZ-CB 4.07Å; I312-R316 PolarHBondContact O-N 3.14Å; C313-R316 PolarHBondContact O-N 2.98Å; R316-L319 PolarHBondContact O-N 2.97Å; R316-W320 WeakPolarHBondContact O-CB 3.03Å; R316-W320 PolarHBondContact O-N 3.34Å; R316-M325 HydrophobicContact CG-CE 3.82Å; R316-H326 PolarHBondContact NH1-NE2 3.33Å; R316-M334 HydrophobicContact CB-CE 4.04Å; R316-M334 HydrophobicContact CG-CE 3.5Å; R316-D342 WeakPolarHBondContact CD-OD2 3.37Å; R316-D342 IonicContact CZ-OD1 3.91Å; R316-D342 IonicContact CZ-OD2 3.14Å; R316-D342 IonicContact NE-OD1 3.03Å; R316-D342 PolarHBondContact NE-OD1 2.95Å; R316-D342 IonicContact NE-OD2 3.42Å; R316-D342 PolarHBondContact NE-OD2 2.93Å; R316-D342 IonicContact NH2-OD1 3.85Å; R316-D342 PolarHBondContact NH2-OD1 3.42Å; R316-D342 IonicContact NH2-OD2 2.98Å
317C98.5Very high96.7Very high0 Ų08 Ų80%05%0.045CC..Hα-helixtrans-63.7-40.6179.4-67.10000112.8C313 L314 W320 A321 I368 L418 L421C313-C317 WeakPolarHBondContact O-CB 3.42Å; C313-C317 PolarHBondContact O-N 3.17Å; C313-C317 PolarHBondContact O-SG 3.23Å; L314-C317 PolarHBondContact O-N 3.29Å; C317-W320 PolarHBondContact O-N 3.46Å; C317-A321 VanDerWaalsContact O-CB 3.3Å; C317-A321 WeakPolarHBondContact O-CB 3.27Å; C317-A321 PolarHBondContact O-N 2.89Å; C317-I368 HydrophobicContact CB-CD1 4.34Å; C317-L418 HydrophobicContact CB-CD2 4.3Å; C317-L421 HydrophobicContact CB-CD2 4.2Å; C317-L421 VanDerWaalsContact SG-CD2 3.59Å
318L97.7Very high96.4Very high0 Ų08.4 Ų8.40%05%0.051CC..Hα-helixtrans-68.3-42178.4-72.5175.8000112.3M283 L287 L314 L315 W320 A321 D322 M371 L377 R414 L418M283-L318 HydrophobicContact CE-CD1 3.46Å; M283-L318 VanDerWaalsContact CE-CD1 3.46Å; L287-L318 HydrophobicContact CD1-CD1 3.76Å; L314-L318 WeakPolarHBondContact O-CB 3.35Å; L314-L318 VanDerWaalsContact O-CG 3.29Å; L314-L318 WeakPolarHBondContact O-CG 3.25Å; L314-L318 PolarHBondContact O-N 3.28Å; L315-L318 PolarHBondContact O-N 2.77Å; L318-W320 VanDerWaalsContact C-N 3.31Å; L318-W320 PolarHBondContact O-N 3.07Å; L318-A321 PolarHBondContact O-N 2.63Å; L318-D322 WeakPolarHBondContact O-CB 3.3Å; L318-D322 PolarHBondContact O-N 3.36Å; L318-M371 HydrophobicContact CD1-CE 4.14Å; L318-M371 HydrophobicContact CD1-SD 3.98Å; L318-M371 HydrophobicContact CD2-CE 3.58Å; L318-M371 HydrophobicContact CD2-CG 4.43Å; L318-M371 HydrophobicContact CD2-SD 3.75Å; L318-M371 HydrophobicContact CG-CE 3.64Å; L318-M371 HydrophobicContact CG-SD 4.04Å; L318-L377 HydrophobicContact CD1-CB 4.31Å; L318-L377 HydrophobicContact CD1-CD1 4.35Å; L318-L377 HydrophobicContact CD2-CB 4.46Å; L318-R414 VanDerWaalsContact CD2-NH2 3.29Å; L318-L418 HydrophobicContact CD2-CD1 4.12Å
319L96.3Very high96.3Very high0 Ų08.8 Ų8.80%05%0.053CC..Hα-helixtrans-63-39.4174.7-69.6167.1000111.9F104 F106 L290 L315 R316 D323 L324 M325 L379F104-L319 HydrophobicContact CE2-CD1 3.62Å; F104-L319 HydrophobicContact CZ-CD1 4.31Å; F106-L319 HydrophobicContact CB-CD1 4.18Å; F106-L319 HydrophobicContact CD1-CD2 4.26Å; F106-L319 HydrophobicContact CD2-CD2 3.91Å; F106-L319 HydrophobicContact CE1-CD2 4.22Å; F106-L319 HydrophobicContact CE2-CD2 3.95Å; F106-L319 HydrophobicContact CG-CD1 4.28Å; F106-L319 HydrophobicContact CG-CD2 4.05Å; F106-L319 HydrophobicContact CZ-CD2 4.05Å; L290-L319 HydrophobicContact CD2-CD1 3.86Å; L290-L319 HydrophobicContact CD2-CD2 4.46Å; L315-L319 WeakPolarHBondContact O-CD1 3.36Å; L315-L319 VanDerWaalsContact O-CG 3.28Å; L315-L319 WeakPolarHBondContact O-CG 3.1Å; L315-L319 PolarHBondContact O-N 2.85Å; R316-L319 PolarHBondContact O-N 2.97Å; L319-D323 PolarHBondContact O-N 3.45Å; L319-L324 HydrophobicContact CD2-CB 4.36Å; L319-L324 HydrophobicContact CD2-CD1 4.34Å; L319-L324 WeakPolarHBondContact O-CB 3.38Å; L319-L324 PolarHBondContact O-N 3.04Å; L319-M325 HydrophobicContact CB-CB 4.06Å; L319-M325 HydrophobicContact CB-CE 4.13Å; L319-M325 HydrophobicContact CD1-CE 3.85Å; L319-M325 PolarHBondContact O-N 3.18Å; L319-L379 HydrophobicContact CD2-CD1 3.58Å
320W96.4Very high96.2Very high1 Ų111.6 Ų11.60%0.0047%0.07CC..Hα-helixtrans-66.1-46175167.773.5000113R316 C317 L318 D322 D323 M325 L329 P331 M334 R417 L421R316-W320 WeakPolarHBondContact O-CB 3.03Å; R316-W320 PolarHBondContact O-N 3.34Å; C317-W320 PolarHBondContact O-N 3.46Å; L318-W320 VanDerWaalsContact C-N 3.31Å; L318-W320 PolarHBondContact O-N 3.07Å; W320-D322 VanDerWaalsContact C-N 3.27Å; W320-D322 PolarHBondContact O-N 2.92Å; W320-D323 PolarHBondContact O-N 3.26Å; W320-M325 WeakPolarHBondContact CA-O 3.44Å; W320-L329 PolarHBondContact NE1-O 3.04Å; W320-P331 HydrophobicContact CH2-CB 4.05Å; W320-P331 HydrophobicContact CH2-CG 3.92Å; W320-P331 HydrophobicContact CZ2-CB 4.4Å; W320-P331 HydrophobicContact CZ2-CG 4.05Å; W320-M334 HydrophobicContact CB-CE 3.77Å; W320-M334 HydrophobicContact CB-SD 4.13Å; W320-M334 HydrophobicContact CD2-CB 4.22Å; W320-M334 HydrophobicContact CD2-CE 4.5Å; W320-M334 HydrophobicContact CD2-CG 3.7Å; W320-M334 HydrophobicContact CD2-SD 4.22Å; W320-M334 HydrophobicContact CE3-CG 3.87Å; W320-M334 HydrophobicContact CG-CE 4.12Å; W320-M334 HydrophobicContact CG-CG 4.05Å; W320-M334 HydrophobicContact CG-SD 3.9Å; W320-M334 HydrophobicContact CH2-CB 4.39Å; W320-M334 HydrophobicContact CZ2-CB 4.1Å; W320-M334 HydrophobicContact CZ2-CG 4.42Å; W320-M334 HydrophobicContact CZ3-CG 4.28Å; W320-R417 HydrophobicContact CH2-CB 3.71Å; W320-R417 HydrophobicContact CH2-CG 4.16Å; W320-R417 HydrophobicContact CZ2-CB 4.35Å; W320-R417 HydrophobicContact CZ2-CG 4.33Å; W320-R417 HydrophobicContact CZ3-CB 3.82Å; W320-R417 PolarHBondContact O-NH1 3.44Å; W320-L421 HydrophobicContact CE3-CD2 4.38Å; W320-L421 HydrophobicContact CH2-CB 4.39Å; W320-L421 HydrophobicContact CZ3-CB 4.11Å; W320-L421 HydrophobicContact CZ3-CD2 3.93Å
321A96.5Very high96.1Very high3 Ų312.6 Ų12.63%0.0258%0.076CC..Hα-helixtrans-64.6-33.8179.100000112.5C317 L318 D323 R414 L418C317-A321 VanDerWaalsContact O-CB 3.3Å; C317-A321 WeakPolarHBondContact O-CB 3.27Å; C317-A321 PolarHBondContact O-N 2.89Å; L318-A321 PolarHBondContact O-N 2.63Å; A321-D323 PolarHBondContact O-N 2.91Å; A321-R414 HydrophobicContact CB-CG 3.8Å; A321-L418 HydrophobicContact CB-CD1 3.8Å; A321-L418 HydrophobicContact CB-CD2 3.6Å; A321-L418 HydrophobicContact CB-CG 3.47Å; A321-L418 VanDerWaalsContact CB-CG 3.47Å
322D94.1Very high96.1Very high4 Ų414.3 Ų14.32%0.0219%0.085CC..THydrogen-bonded Turntrans-76-0.4172.9-77.3-19.3000113.6L318 W320 L324 S378 L379 R380 R414L318-D322 WeakPolarHBondContact O-CB 3.3Å; L318-D322 PolarHBondContact O-N 3.36Å; W320-D322 VanDerWaalsContact C-N 3.27Å; W320-D322 PolarHBondContact O-N 2.92Å; D322-L324 VanDerWaalsContact C-N 3.3Å; D322-L324 HydrophobicContact CB-CD1 3.77Å; D322-L324 HydrophobicContact CB-CG 3.85Å; D322-L324 PolarHBondContact O-N 2.86Å; D322-S378 WeakPolarHBondContact OD1-CB 3.12Å; D322-S378 PolarHBondContact OD1-OG 2.82Å; D322-S378 VanDerWaalsContact OD2-CA 3.29Å; D322-S378 WeakPolarHBondContact OD2-CA 3.49Å; D322-L379 PolarHBondContact OD2-N 3.11Å; D322-R380 WeakPolarHBondContact O-CD 3.27Å; D322-R380 PolarHBondContact O-NE 3.27Å; D322-R380 PolarHBondContact O-NH1 3.41Å; D322-R414 WeakPolarHBondContact OD1-CD 3.31Å; D322-R414 IonicContact OD1-NE 2.74Å; D322-R414 PolarHBondContact OD1-NE 2.93Å
323D92.3Very high96Very high42 Ų4214.5 Ų14.523%0.2259%0.086CC..THydrogen-bonded Turntrans62.437.5-178.9-149.551.1000112.4L319 W320 A321 C327 R380 R417L319-D323 PolarHBondContact O-N 3.45Å; W320-D323 PolarHBondContact O-N 3.26Å; A321-D323 PolarHBondContact O-N 2.91Å; D323-C327 VanDerWaalsContact C-SG 3.59Å; D323-C327 PolarHBondContact O-SG 3.07Å; D323-R380 VanDerWaalsContact CB-NH1 3.34Å; D323-R380 IonicContact OD2-NH1 3.31Å; D323-R380 IonicContact OD2-NH2 2.82Å; D323-R417 IonicContact OD1-CZ 3.26Å; D323-R417 IonicContact OD1-NH1 3.71Å; D323-R417 PolarHBondContact OD1-NH1 3.08Å; D323-R417 IonicContact OD1-NH2 3.66Å; D323-R417 PolarHBondContact OD1-NH2 2.93Å
324L92.9Very high96Very high29 Ų2914.5 Ų14.515%0.1529%0.086CC..SBendtrans-109.4-16-177-67.6178.5000113.2F106 L319 D322 L379 R380 I385 V387F106-L324 HydrophobicContact CE2-CB 3.86Å; F106-L324 HydrophobicContact CE2-CD1 4.47Å; F106-L324 HydrophobicContact CZ-CB 4.49Å; F106-L324 HydrophobicContact CZ-CD1 4.29Å; L319-L324 HydrophobicContact CD2-CB 4.36Å; L319-L324 HydrophobicContact CD2-CD1 4.34Å; L319-L324 WeakPolarHBondContact O-CB 3.38Å; L319-L324 PolarHBondContact O-N 3.04Å; D322-L324 VanDerWaalsContact C-N 3.3Å; D322-L324 HydrophobicContact CB-CD1 3.77Å; D322-L324 HydrophobicContact CB-CG 3.85Å; D322-L324 PolarHBondContact O-N 2.86Å; L324-L379 HydrophobicContact CD1-CB 3.66Å; L324-L379 HydrophobicContact CD1-CD1 4.01Å; L324-L379 HydrophobicContact CD1-CG 4.46Å; L324-R380 HydrophobicContact CD2-CG 4.2Å; L324-R380 HydrophobicContact CG-CG 4.48Å; L324-I385 HydrophobicContact CD1-CD1 4.17Å; L324-I385 HydrophobicContact CD2-CD1 4.44Å; L324-I385 HydrophobicContact CD2-CG2 4.29Å; L324-V387 HydrophobicContact CD2-CG2 4.47Å
325M93.5Very high96Very high14 Ų1414.5 Ų14.57%0.0699%0.086CC..SBendtrans-158.1149.4177.8-167.9175.860.300109.7F104 R316 L319 W320 C327F104-M325 HydrophobicContact CB-CE 4.38Å; F104-M325 HydrophobicContact CB-SD 4.25Å; F104-M325 HydrophobicContact CD2-CE 3.26Å; F104-M325 HydrophobicContact CD2-SD 3.52Å; F104-M325 VanDerWaalsContact CD2-SD 3.52Å; F104-M325 HydrophobicContact CE2-CE 3.49Å; F104-M325 VanDerWaalsContact CE2-CE 3.49Å; F104-M325 HydrophobicContact CE2-SD 4.2Å; F104-M325 HydrophobicContact CG-CE 3.86Å; F104-M325 HydrophobicContact CG-SD 4.2Å; F104-M325 HydrophobicContact CZ-CE 4.23Å; R316-M325 HydrophobicContact CG-CE 3.82Å; L319-M325 HydrophobicContact CB-CB 4.06Å; L319-M325 HydrophobicContact CB-CE 4.13Å; L319-M325 HydrophobicContact CD1-CE 3.85Å; L319-M325 PolarHBondContact O-N 3.18Å; W320-M325 WeakPolarHBondContact CA-O 3.44Å; M325-C327 PolarHBondContact O-N 3.34Å
326H93.7Very high96Very high0 Ų014.7 Ų14.70%09%0.087CC..SBendtrans56.430.8-178.3-56.5-53.6000113.2D47 R316 S328 L329D47-H326 WeakPolarHBondContact OD2-CA 3.45Å; R316-H326 PolarHBondContact NH1-NE2 3.33Å; H326-S328 PolarHBondContact O-N 2.61Å; H326-S328 VanDerWaalsContact O-N 3.11Å; H326-L329 HydrophobicContact CB-CB 4.41Å; H326-L329 HydrophobicContact CB-CD1 3.85Å; H326-L329 HydrophobicContact CB-CG 3.96Å; H326-L329 WeakPolarHBondContact O-CB 3.47Å; H326-L329 PolarHBondContact O-N 3.05Å
327C92.2Very high96Very high54 Ų5414.7 Ų14.737%0.3659%0.087SC..THydrogen-bonded Turntrans-60.8-24.4-170.8-43.90000113.1D47 D323 M325 L329D47-C327 PolarHBondContact OD2-N 2.89Å; D323-C327 VanDerWaalsContact C-SG 3.59Å; D323-C327 PolarHBondContact O-SG 3.07Å; M325-C327 PolarHBondContact O-N 3.34Å; C327-L329 VanDerWaalsContact C-N 3.34Å
328S93.3Very high96Very high30 Ų3014.7 Ų14.721%0.219%0.087CC..THydrogen-bonded Turntrans-74.7-22.7175.569.80000113.3M1 D47 H326M1-S328 WeakPolarHBondContact CE-O 3.37Å; D47-S328 VanDerWaalsContact CG-OG 3.24Å; D47-S328 PolarHBondContact OD1-OG 3.48Å; D47-S328 VanDerWaalsContact OD2-CB 3.29Å; D47-S328 WeakPolarHBondContact OD2-CB 3.48Å; D47-S328 PolarHBondContact OD2-N 3.13Å; D47-S328 PolarHBondContact OD2-OG 2.92Å; H326-S328 PolarHBondContact O-N 2.61Å; H326-S328 VanDerWaalsContact O-N 3.11Å
329L95.9Very high96Very high7 Ų714.8 Ų14.84%0.0379%0.087CC..  trans-76.5130.6-172.5-57.9-167.5000112.2L43 W320 H326 C327 Q333 M334 L337L43-L329 HydrophobicContact CB-CD1 4.2Å; L43-L329 HydrophobicContact CB-CD2 4.38Å; L43-L329 HydrophobicContact CD2-CD2 3.95Å; W320-L329 PolarHBondContact NE1-O 3.04Å; H326-L329 HydrophobicContact CB-CB 4.41Å; H326-L329 HydrophobicContact CB-CD1 3.85Å; H326-L329 HydrophobicContact CB-CG 3.96Å; H326-L329 WeakPolarHBondContact O-CB 3.47Å; H326-L329 PolarHBondContact O-N 3.05Å; C327-L329 VanDerWaalsContact C-N 3.34Å; L329-Q333 HydrophobicContact CB-CB 4.2Å; L329-Q333 HydrophobicContact CD2-CB 4.32Å; L329-M334 HydrophobicContact CD1-SD 4.43Å; L329-L337 HydrophobicContact CD1-CD2 3.83Å
330T96.1Very high96.1Very high60 Ų6014.8 Ų14.837%0.3689%0.087SC..  trans-69.8163.4166.6630000111.6I332 Q333 M334T330-I332 VanDerWaalsContact C-N 3.32Å; T330-I332 PolarHBondContact O-N 2.72Å; T330-Q333 PolarHBondContact O-N 2.82Å; T330-Q333 VanDerWaalsContact OG1-CD 3.27Å; T330-Q333 WeakPolarHBondContact OG1-CG 3.45Å; T330-Q333 PolarHBondContact OG1-OE1 3.41Å; T330-M334 WeakPolarHBondContact O-CB 3.21Å; T330-M334 PolarHBondContact O-N 2.8Å
331P97.2Very high96.2Very high20 Ų2014.7 Ų14.713%0.139%0.087CC..Hα-helixtrans-56.4-39177.9-29.238.7000114.3W320 M334 L335 E420 L421 L424W320-P331 HydrophobicContact CH2-CB 4.05Å; W320-P331 HydrophobicContact CH2-CG 3.92Å; W320-P331 HydrophobicContact CZ2-CB 4.4Å; W320-P331 HydrophobicContact CZ2-CG 4.05Å; P331-M334 PolarHBondContact O-N 3.49Å; P331-L335 WeakPolarHBondContact O-CB 3.44Å; P331-L335 PolarHBondContact O-N 3.05Å; P331-E420 HydrophobicContact CB-CB 4.39Å; P331-E420 HydrophobicContact CB-CG 3.95Å; P331-E420 HydrophobicContact CG-CB 4.38Å; P331-E420 HydrophobicContact CG-CG 4.05Å; P331-L421 WeakPolarHBondContact O-CD1 3.43Å; P331-L424 HydrophobicContact CB-CD1 3.73Å
332I98Very high96.3Very high36 Ų3614.6 Ų14.619%0.1859%0.086CC..Hα-helixtrans-70.2-38.2178.6-166.2170.3000112.6V4 V9 T330 L335 Y336 L424 F428V4-I332 HydrophobicContact CG1-CG1 4.35Å; V9-I332 HydrophobicContact CG2-CD1 4.21Å; V9-I332 HydrophobicContact CG2-CG1 3.77Å; T330-I332 VanDerWaalsContact C-N 3.32Å; T330-I332 PolarHBondContact O-N 2.72Å; I332-L335 WeakPolarHBondContact O-CB 3.15Å; I332-L335 PolarHBondContact O-N 2.79Å; I332-Y336 PolarHBondContact O-N 3.44Å; I332-L424 HydrophobicContact CB-CD1 4.16Å; I332-F428 HydrophobicContact CD1-CE2 4.33Å; I332-F428 HydrophobicContact CD1-CZ 4.22Å; I332-F428 HydrophobicContact CG1-CE2 4.41Å
333Q97.7Very high96.5Very high5 Ų514.4 Ų14.42%0.0239%0.085CC..Hα-helixtrans-64.7-42.4173.3-73.5164.5-37.100110.9L2 V4 L43 L329 T330 L335 Y336 L337L2-Q333 PolarHBondContact O-NE2 3.19Å; V4-Q333 HydrophobicContact CB-CG 3.94Å; V4-Q333 HydrophobicContact CG2-CG 3.82Å; L43-Q333 HydrophobicContact CD1-CB 4.38Å; L43-Q333 WeakPolarHBondContact CD1-O 2.94Å; L43-Q333 HydrophobicContact CD2-CB 3.9Å; L43-Q333 HydrophobicContact CD2-CG 3.83Å; L329-Q333 HydrophobicContact CB-CB 4.2Å; L329-Q333 HydrophobicContact CD2-CB 4.32Å; T330-Q333 PolarHBondContact O-N 2.82Å; T330-Q333 VanDerWaalsContact OG1-CD 3.27Å; T330-Q333 WeakPolarHBondContact OG1-CG 3.45Å; T330-Q333 PolarHBondContact OG1-OE1 3.41Å; Q333-L335 VanDerWaalsContact C-N 3.31Å; Q333-L335 PolarHBondContact O-N 3.11Å; Q333-Y336 PolarHBondContact O-N 3.36Å; Q333-L337 WeakPolarHBondContact O-CB 3.46Å; Q333-L337 PolarHBondContact O-N 2.99Å
334M98.1Very high96.8Very high0 Ų012.5 Ų12.50%08%0.075CC..Hα-helixtrans-64.2-37.7176.6-169.562.8-175.300112R316 W320 L329 T330 P331 L337 T338 L421R316-M334 HydrophobicContact CB-CE 4.04Å; R316-M334 HydrophobicContact CG-CE 3.5Å; W320-M334 HydrophobicContact CB-CE 3.77Å; W320-M334 HydrophobicContact CB-SD 4.13Å; W320-M334 HydrophobicContact CD2-CB 4.22Å; W320-M334 HydrophobicContact CD2-CE 4.5Å; W320-M334 HydrophobicContact CD2-CG 3.7Å; W320-M334 HydrophobicContact CD2-SD 4.22Å; W320-M334 HydrophobicContact CE3-CG 3.87Å; W320-M334 HydrophobicContact CG-CE 4.12Å; W320-M334 HydrophobicContact CG-CG 4.05Å; W320-M334 HydrophobicContact CG-SD 3.9Å; W320-M334 HydrophobicContact CH2-CB 4.39Å; W320-M334 HydrophobicContact CZ2-CB 4.1Å; W320-M334 HydrophobicContact CZ2-CG 4.42Å; W320-M334 HydrophobicContact CZ3-CG 4.28Å; L329-M334 HydrophobicContact CD1-SD 4.43Å; T330-M334 WeakPolarHBondContact O-CB 3.21Å; T330-M334 PolarHBondContact O-N 2.8Å; P331-M334 PolarHBondContact O-N 3.49Å; M334-L337 HydrophobicContact SD-CD2 4.4Å; M334-T338 HydrophobicContact CE-CG2 3.87Å; M334-T338 WeakPolarHBondContact O-CB 3.17Å; M334-T338 WeakPolarHBondContact O-CG2 3.06Å; M334-T338 PolarHBondContact O-N 3.48Å; M334-T338 PolarHBondContact O-OG1 2.8Å; M334-L421 HydrophobicContact CB-CD1 4.32Å; M334-L421 HydrophobicContact CG-CD1 4.43Å; M334-L421 HydrophobicContact CG-CD2 4.37Å
335L98.6Very high97.1Very high0 Ų011.1 Ų11.10%07%0.067CC..Hα-helixtrans-61.2-48.4172.7-177.957.1000111.5V9 P331 I332 Q333 T338 L339 F365 L421 L424 F425 F428V9-L335 HydrophobicContact CG1-CD2 3.94Å; V9-L335 HydrophobicContact CG1-CG 4.18Å; P331-L335 WeakPolarHBondContact O-CB 3.44Å; P331-L335 PolarHBondContact O-N 3.05Å; I332-L335 WeakPolarHBondContact O-CB 3.15Å; I332-L335 PolarHBondContact O-N 2.79Å; Q333-L335 VanDerWaalsContact C-N 3.31Å; Q333-L335 PolarHBondContact O-N 3.11Å; L335-T338 PolarHBondContact O-N 2.79Å; L335-T338 PolarHBondContact O-OG1 3.05Å; L335-T338 VanDerWaalsContact O-OG1 3.06Å; L335-L339 HydrophobicContact CD1-CD1 3.75Å; L335-L339 HydrophobicContact CD1-CG 3.98Å; L335-L339 HydrophobicContact CG-CD1 3.89Å; L335-L339 HydrophobicContact CG-CG 4.48Å; L335-L339 WeakPolarHBondContact O-CB 3.26Å; L335-L339 WeakPolarHBondContact O-CG 3.38Å; L335-L339 PolarHBondContact O-N 3.15Å; L335-F365 HydrophobicContact CD1-CD1 4.13Å; L335-F365 HydrophobicContact CD1-CE1 3.36Å; L335-F365 HydrophobicContact CD1-CZ 3.7Å; L335-L421 HydrophobicContact CB-CD1 3.71Å; L335-L421 HydrophobicContact CD1-CD1 4.26Å; L335-L424 HydrophobicContact CD2-CB 3.73Å; L335-F425 HydrophobicContact CD1-CB 3.85Å; L335-F425 HydrophobicContact CD1-CD2 4.22Å; L335-F425 HydrophobicContact CD2-CB 4.46Å; L335-F428 HydrophobicContact CD2-CD2 3.72Å; L335-F428 HydrophobicContact CD2-CE2 3.83Å
336Y98.6Very high97.3Very high3 Ų310.4 Ų10.41%0.0126%0.064CC..Hα-helixtrans-61.3-46.9177.9-166.8-75.7000111.7V4 D8 V9 L12 I36 I39 L43 I332 Q333 T338 L339 G340V4-Y336 HydrophobicContact CG1-CD2 3.85Å; V4-Y336 HydrophobicContact CG1-CG 4.05Å; D8-Y336 HydrophobicContact CB-CD2 4.12Å; D8-Y336 HydrophobicContact CB-CE2 3.78Å; D8-Y336 WeakPolarHBondContact O-CE2 3.49Å; V9-Y336 HydrophobicContact CG2-CD2 4.04Å; L12-Y336 HydrophobicContact CB-CE2 4.05Å; L12-Y336 HydrophobicContact CD2-CD1 4.34Å; L12-Y336 HydrophobicContact CD2-CD2 4.05Å; L12-Y336 HydrophobicContact CD2-CE1 4.22Å; L12-Y336 HydrophobicContact CD2-CE2 3.93Å; L12-Y336 HydrophobicContact CD2-CG 4.25Å; I36-Y336 WeakPolarHBondContact CA-OH 3.37Å; I36-Y336 HydrophobicContact CG2-CE1 4.43Å; I39-Y336 HydrophobicContact CB-CD1 4.33Å; I39-Y336 HydrophobicContact CB-CE1 3.65Å; I39-Y336 HydrophobicContact CD1-CE1 4.31Å; I39-Y336 HydrophobicContact CD1-CE2 4.47Å; I39-Y336 WeakPolarHBondContact CD1-OH 3.35Å; I39-Y336 HydrophobicContact CG2-CD1 3.47Å; I39-Y336 VanDerWaalsContact CG2-CD1 3.47Å; I39-Y336 HydrophobicContact CG2-CE1 3.27Å; I39-Y336 HydrophobicContact CG2-CG 4.21Å; L43-Y336 HydrophobicContact CD1-CD1 4.25Å; I332-Y336 PolarHBondContact O-N 3.44Å; Q333-Y336 PolarHBondContact O-N 3.36Å; Y336-T338 VanDerWaalsContact C-N 3.34Å; Y336-T338 PolarHBondContact O-N 2.85Å; Y336-L339 PolarHBondContact O-N 3.25Å; Y336-G340 PolarHBondContact O-N 2.73Å
337L98.1Very high97.4Very high0 Ų010.4 Ų10.40%06%0.064CC..Hα-helixtrans-59.1-45.5179.5176.761000111.5C40 L43 T44 L329 Q333 M334 Y341C40-L337 HydrophobicContact CB-CD1 4.31Å; L43-L337 HydrophobicContact CB-CD1 4.44Å; L43-L337 HydrophobicContact CD1-CB 4.1Å; T44-L337 WeakPolarHBondContact OG1-CD1 3.21Å; L329-L337 HydrophobicContact CD1-CD2 3.83Å; Q333-L337 WeakPolarHBondContact O-CB 3.46Å; Q333-L337 PolarHBondContact O-N 2.99Å; M334-L337 HydrophobicContact SD-CD2 4.4Å; L337-Y341 HydrophobicContact CD1-CG 4.45Å; L337-Y341 WeakPolarHBondContact O-CA 3.23Å; L337-Y341 WeakPolarHBondContact O-CB 3.45Å; L337-Y341 PolarHBondContact O-N 3.45Å
338T98.5Very high97.7Very high0 Ų08 Ų80%05%0.048CC..Iπ-helixtrans-70.6-45.5-178.8510000111.7M334 L335 Y336 D342 W343M334-T338 HydrophobicContact CE-CG2 3.87Å; M334-T338 WeakPolarHBondContact O-CB 3.17Å; M334-T338 WeakPolarHBondContact O-CG2 3.06Å; M334-T338 PolarHBondContact O-N 3.48Å; M334-T338 PolarHBondContact O-OG1 2.8Å; L335-T338 PolarHBondContact O-N 2.79Å; L335-T338 PolarHBondContact O-OG1 3.05Å; L335-T338 VanDerWaalsContact O-OG1 3.06Å; Y336-T338 VanDerWaalsContact C-N 3.34Å; Y336-T338 PolarHBondContact O-N 2.85Å; T338-D342 WeakPolarHBondContact O-CA 3.47Å; T338-D342 WeakPolarHBondContact O-CB 3.36Å; T338-D342 PolarHBondContact O-N 3.03Å; T338-W343 VanDerWaalsContact O-CD1 3.32Å; T338-W343 PolarHBondContact O-N 3.31Å
339L98.8Very high97.9Very high2 Ų27.6 Ų7.61%0.014%0.042CC..Iπ-helixtrans-61.6-48.2175.7-72175.4000112.2V9 L12 M16 L335 Y336 W343 F344 L361 F365 F425V9-L339 HydrophobicContact CG1-CD1 4.02Å; L12-L339 HydrophobicContact CD2-CB 3.75Å; M16-L339 HydrophobicContact CE-CD2 4.43Å; M16-L339 HydrophobicContact SD-CB 4.17Å; M16-L339 HydrophobicContact SD-CD2 4.48Å; L335-L339 HydrophobicContact CD1-CD1 3.75Å; L335-L339 HydrophobicContact CD1-CG 3.98Å; L335-L339 HydrophobicContact CG-CD1 3.89Å; L335-L339 HydrophobicContact CG-CG 4.48Å; L335-L339 WeakPolarHBondContact O-CB 3.26Å; L335-L339 WeakPolarHBondContact O-CG 3.38Å; L335-L339 PolarHBondContact O-N 3.15Å; Y336-L339 PolarHBondContact O-N 3.25Å; L339-W343 WeakPolarHBondContact O-CB 3.32Å; L339-F344 WeakPolarHBondContact O-CB 3.49Å; L339-F344 PolarHBondContact O-N 3.03Å; L339-L361 HydrophobicContact CD2-CD1 4.12Å; L339-L361 HydrophobicContact CD2-CD2 4.29Å; L339-F365 HydrophobicContact CD2-CE2 3.7Å; L339-F365 HydrophobicContact CD2-CZ 3.94Å; L339-F365 HydrophobicContact CG-CE2 4.42Å; L339-F365 HydrophobicContact CG-CZ 4.16Å; L339-F425 HydrophobicContact CD2-CD2 4.24Å; L339-F425 HydrophobicContact CD2-CE2 4.14Å
340G98.4Very high98Very high0 Ų07.5 Ų7.50%04%0.042CC..Iπ-helixtrans-73.4-54.2-175.100000111.6Y336 F344 L345Y336-G340 PolarHBondContact O-N 2.73Å; G340-F344 PolarHBondContact O-N 2.84Å; G340-L345 WeakPolarHBondContact O-CB 3.34Å; G340-L345 VanDerWaalsContact O-CG 3.29Å; G340-L345 WeakPolarHBondContact O-CG 3.43Å; G340-L345 PolarHBondContact O-N 3.42Å
341Y97.9Very high98Very high0 Ų08.3 Ų8.30%04%0.04CC..Iπ-helixtrans-87.4-51.5-172.2-156-105.9000112.6C40 P65 A69 L337 W343 L345 F346C40-Y341 HydrophobicContact CB-CD2 3.82Å; C40-Y341 HydrophobicContact CB-CG 4.32Å; P65-Y341 HydrophobicContact CG-CE2 4.06Å; A69-Y341 PolarHBondContact N-OH 2.62Å; L337-Y341 HydrophobicContact CD1-CG 4.45Å; L337-Y341 WeakPolarHBondContact O-CA 3.23Å; L337-Y341 WeakPolarHBondContact O-CB 3.45Å; L337-Y341 PolarHBondContact O-N 3.45Å; Y341-W343 PolarHBondContact O-N 3.14Å; Y341-L345 HydrophobicContact CD2-CD1 4.23Å; Y341-F346 HydrophobicContact CD1-CE2 4.04Å; Y341-F346 HydrophobicContact CD2-CE2 4.39Å; Y341-F346 AromaticContact CE1-CE2 3.66Å; Y341-F346 HydrophobicContact CE1-CE2 3.66Å; Y341-F346 HydrophobicContact CE1-CZ 4.26Å; Y341-F346 HydrophobicContact CE2-CE2 4.04Å; Y341-F346 HydrophobicContact CG-CE2 4.38Å; Y341-F346 AromaticContact CZ-CE2 3.65Å; Y341-F346 WeakPolarHBondContact O-CD2 3.45Å
342D98.5Very high98Very high0 Ų09.8 Ų9.80%05%0.049CC..Iπ-helixtrans-71.2-35.4-174.5-64.3-24.8000111.4R113 P309 I312 C313 R316 T338R113-D342 PolarHBondContact NH1-O 2.76Å; R113-D342 PolarHBondContact NH2-O 2.96Å; P309-D342 VanDerWaalsContact CB-O 3.27Å; P309-D342 WeakPolarHBondContact CB-O 3.41Å; I312-D342 HydrophobicContact CG2-CB 4.1Å; I312-D342 WeakPolarHBondContact CG2-OD1 3.47Å; C313-D342 HydrophobicContact CB-CB 4.44Å; R316-D342 WeakPolarHBondContact CD-OD2 3.37Å; R316-D342 IonicContact CZ-OD1 3.91Å; R316-D342 IonicContact CZ-OD2 3.14Å; R316-D342 IonicContact NE-OD1 3.03Å; R316-D342 PolarHBondContact NE-OD1 2.95Å; R316-D342 IonicContact NE-OD2 3.42Å; R316-D342 PolarHBondContact NE-OD2 2.93Å; R316-D342 IonicContact NH2-OD1 3.85Å; R316-D342 PolarHBondContact NH2-OD1 3.42Å; R316-D342 IonicContact NH2-OD2 2.98Å; T338-D342 WeakPolarHBondContact O-CA 3.47Å; T338-D342 WeakPolarHBondContact O-CB 3.36Å; T338-D342 PolarHBondContact O-N 3.03Å
343W98.7Very high98Very high0 Ų09.4 Ų9.40%05%0.045CC..Iπ-helixtrans-101.2-67.2-176.5-69.490.4000114.6M16 P309 L310 T338 L339 Y341 H348 I360 L361 T364M16-W343 HydrophobicContact CE-CB 4.04Å; P309-W343 HydrophobicContact CB-CD2 3.77Å; P309-W343 HydrophobicContact CB-CE3 3.86Å; P309-W343 HydrophobicContact CB-CG 4.27Å; P309-W343 HydrophobicContact CB-CH2 4.37Å; P309-W343 HydrophobicContact CB-CZ2 4.27Å; P309-W343 HydrophobicContact CB-CZ3 4.18Å; P309-W343 HydrophobicContact CG-CD2 4.25Å; P309-W343 HydrophobicContact CG-CE3 3.81Å; P309-W343 HydrophobicContact CG-CH2 4.22Å; P309-W343 HydrophobicContact CG-CZ3 3.81Å; L310-W343 HydrophobicContact CB-CH2 4.2Å; L310-W343 HydrophobicContact CB-CZ2 4.23Å; T338-W343 VanDerWaalsContact O-CD1 3.32Å; T338-W343 PolarHBondContact O-N 3.31Å; L339-W343 WeakPolarHBondContact O-CB 3.32Å; Y341-W343 PolarHBondContact O-N 3.14Å; W343-H348 HydrophobicContact CB-CB 4.37Å; W343-H348 HydrophobicContact CE3-CB 3.81Å; W343-H348 AromaticContact CE3-CD2 3.47Å; W343-H348 VanDerWaalsContact CE3-CD2 3.47Å; W343-H348 AromaticContact CE3-CE1 3.95Å; W343-H348 AromaticContact CE3-CG 3.38Å; W343-H348 AromaticContact CE3-ND1 3.69Å; W343-H348 AromaticContact CE3-NE2 3.85Å; W343-H348 AromaticContact CZ3-CD2 3.87Å; W343-H348 AromaticContact CZ3-CE1 3.57Å; W343-H348 AromaticContact CZ3-CG 3.79Å; W343-H348 AromaticContact CZ3-ND1 3.59Å; W343-H348 AromaticContact CZ3-NE2 3.74Å; W343-H348 WeakPolarHBondContact O-CB 3.45Å; W343-H348 PolarHBondContact O-N 3.33Å; W343-I360 HydrophobicContact CH2-CG1 4.34Å; W343-I360 HydrophobicContact CH2-CG2 4.26Å; W343-I360 HydrophobicContact CZ3-CG2 4.09Å; W343-L361 HydrophobicContact CB-CD1 4.38Å; W343-L361 HydrophobicContact CD2-CD1 3.4Å; W343-L361 HydrophobicContact CE3-CB 4.46Å; W343-L361 HydrophobicContact CE3-CD1 3.84Å; W343-L361 HydrophobicContact CG-CD1 3.64Å; W343-L361 HydrophobicContact CH2-CD1 4.42Å; W343-L361 HydrophobicContact CZ2-CD1 4.05Å; W343-L361 HydrophobicContact CZ3-CB 4.32Å; W343-L361 HydrophobicContact CZ3-CD1 4.32Å; W343-T364 HydrophobicContact CZ2-CG2 3.96Å; W343-T364 WeakPolarHBondContact CZ2-OG1 3.36Å
344F98.6Very high97.9Very high2 Ų211.8 Ų11.81%0.0096%0.057CC..Iπ-helixtrans-67.4-60.6-166.5178.5-117.3000113.7L12 F15 M16 F21 L25 I36 L339 G340 F346 G347L12-F344 HydrophobicContact CD1-CB 4.45Å; L12-F344 HydrophobicContact CD1-CD1 4.08Å; L12-F344 HydrophobicContact CD1-CG 4.37Å; F15-F344 AromaticContact CD1-CE1 3.86Å; F15-F344 HydrophobicContact CD1-CE1 3.86Å; F15-F344 HydrophobicContact CD1-CE2 4.21Å; F15-F344 AromaticContact CD1-CZ 3.4Å; F15-F344 HydrophobicContact CD1-CZ 3.4Å; F15-F344 VanDerWaalsContact CD1-CZ 3.4Å; F15-F344 HydrophobicContact CE1-CE1 4.03Å; F15-F344 AromaticContact CE1-CZ 3.5Å; F15-F344 HydrophobicContact CE1-CZ 3.5Å; M16-F344 HydrophobicContact CB-CD2 4.27Å; M16-F344 HydrophobicContact CE-CB 3.97Å; M16-F344 HydrophobicContact CG-CB 3.77Å; M16-F344 HydrophobicContact CG-CD2 3.5Å; M16-F344 VanDerWaalsContact CG-CD2 3.5Å; M16-F344 HydrophobicContact CG-CE2 4.22Å; M16-F344 HydrophobicContact CG-CG 3.72Å; M16-F344 HydrophobicContact SD-CB 3.94Å; F21-F344 HydrophobicContact CB-CD2 3.95Å; F21-F344 HydrophobicContact CB-CE1 4.49Å; F21-F344 HydrophobicContact CB-CE2 3.68Å; F21-F344 HydrophobicContact CB-CZ 3.95Å; F21-F344 WeakPolarHBondContact CB-O 3.43Å; F21-F344 HydrophobicContact CD2-CE1 4.37Å; F21-F344 HydrophobicContact CD2-CZ 4.25Å; L25-F344 HydrophobicContact CD2-CE2 4.35Å; L25-F344 HydrophobicContact CD2-CZ 4.05Å; I36-F344 HydrophobicContact CD1-CD1 4.32Å; I36-F344 HydrophobicContact CD1-CE1 3.85Å; I36-F344 HydrophobicContact CG2-CD1 4.31Å; L339-F344 WeakPolarHBondContact O-CB 3.49Å; L339-F344 PolarHBondContact O-N 3.03Å; G340-F344 PolarHBondContact O-N 2.84Å; F344-F346 PolarHBondContact O-N 3.27Å; F344-F346 VanDerWaalsContact O-N 3.11Å; F344-G347 WeakPolarHBondContact O-CA 3.39Å; F344-G347 PolarHBondContact O-N 3.45Å
345L98Very high97.8Very high0 Ų018 Ų180%09%0.086CC..THydrogen-bonded Turntrans-67.3-16.5-173-67.8169.7000113.2F21 I33 I36 N37 C40 Y64 P65 G340 Y341 G347F21-L345 VanDerWaalsContact CD1-O 3.27Å; F21-L345 WeakPolarHBondContact CD1-O 3.4Å; F21-L345 WeakPolarHBondContact CE1-O 3.45Å; F21-L345 HydrophobicContact CE2-CD2 4.47Å; I33-L345 HydrophobicContact CG2-CD2 4.04Å; I36-L345 HydrophobicContact CG2-CD1 4.12Å; I36-L345 HydrophobicContact CG2-CD2 4.36Å; I36-L345 HydrophobicContact CG2-CG 4.22Å; N37-L345 HydrophobicContact CB-CD1 3.97Å; N37-L345 HydrophobicContact CB-CD2 4.46Å; C40-L345 HydrophobicContact CB-CD1 4.43Å; Y64-L345 CarbonylContact C-O 3.54Å; Y64-L345 VanDerWaalsContact C-O 3.26Å; P65-L345 HydrophobicContact CB-CB 3.99Å; P65-L345 HydrophobicContact CB-CD1 4.45Å; P65-L345 WeakPolarHBondContact CD-O 3.22Å; P65-L345 HydrophobicContact CG-CB 3.75Å; P65-L345 VanDerWaalsContact N-O 3.08Å; G340-L345 WeakPolarHBondContact O-CB 3.34Å; G340-L345 VanDerWaalsContact O-CG 3.29Å; G340-L345 WeakPolarHBondContact O-CG 3.43Å; G340-L345 PolarHBondContact O-N 3.42Å; Y341-L345 HydrophobicContact CD2-CD1 4.23Å; L345-G347 VanDerWaalsContact C-N 3.33Å
346F98Very high97.7Very high0 Ų021.7 Ų21.70%011%0.105CC..THydrogen-bonded Turntrans-96.420.2169.4-78.6-96.2000113.1H63 Y64 P65 R98 V101 R113 Y341 F344H63-F346 CarbonylContact O-C 3.59Å; H63-F346 WeakPolarHBondContact O-CA 3.28Å; Y64-F346 AromaticContact CD1-CD1 3.43Å; Y64-F346 HydrophobicContact CD1-CD1 3.43Å; Y64-F346 VanDerWaalsContact CD1-CD1 3.43Å; Y64-F346 AromaticContact CD1-CE1 3.89Å; Y64-F346 HydrophobicContact CD1-CE1 3.89Å; Y64-F346 HydrophobicContact CD1-CG 4.37Å; Y64-F346 HydrophobicContact CD2-CE1 4.49Å; Y64-F346 AromaticContact CE1-CD1 3.57Å; Y64-F346 HydrophobicContact CE1-CD1 3.57Å; Y64-F346 HydrophobicContact CE1-CE1 4.04Å; Y64-F346 HydrophobicContact CG-CD1 4.1Å; Y64-F346 HydrophobicContact CG-CE1 4.13Å; P65-F346 HydrophobicContact CG-CD2 3.72Å; P65-F346 HydrophobicContact CG-CE2 3.45Å; P65-F346 VanDerWaalsContact CG-CE2 3.45Å; P65-F346 HydrophobicContact CG-CG 4.46Å; P65-F346 HydrophobicContact CG-CZ 3.9Å; R98-F346 PolarHBondContact NH1-O 3.16Å; R98-F346 PolarHBondContact NH2-O 2.86Å; V101-F346 HydrophobicContact CG1-CE1 3.65Å; V101-F346 HydrophobicContact CG1-CZ 4.33Å; R113-F346 HydrophobicContact CG-CD1 4.33Å; R113-F346 HydrophobicContact CG-CE1 4.19Å; R113-F346 VanDerWaalsContact NH1-CB 3.33Å; Y341-F346 HydrophobicContact CD1-CE2 4.04Å; Y341-F346 HydrophobicContact CD2-CE2 4.39Å; Y341-F346 AromaticContact CE1-CE2 3.66Å; Y341-F346 HydrophobicContact CE1-CE2 3.66Å; Y341-F346 HydrophobicContact CE1-CZ 4.26Å; Y341-F346 HydrophobicContact CE2-CE2 4.04Å; Y341-F346 HydrophobicContact CG-CE2 4.38Å; Y341-F346 AromaticContact CZ-CE2 3.65Å; Y341-F346 WeakPolarHBondContact O-CD2 3.45Å; F344-F346 PolarHBondContact O-N 3.27Å; F344-F346 VanDerWaalsContact O-N 3.11Å
347G97.2Very high97.6Very high0 Ų021.7 Ų21.70%011%0.106CC..THydrogen-bonded Turntrans74.331.5163.800000114.9H63 F344 L345H63-G347 PolarHBondContact O-N 3.2Å; F344-G347 WeakPolarHBondContact O-CA 3.39Å; F344-G347 PolarHBondContact O-N 3.45Å; L345-G347 VanDerWaalsContact C-N 3.33Å
348H98Very high97.6Very high4 Ų422.5 Ų22.52%0.01911%0.11CC..  trans-57140.3162.4-179.560.1000110W305 D306 W343 L350W305-H348 PolarHBondContact O-ND1 2.96Å; D306-H348 IonicContact OD1-CE1 3.73Å; D306-H348 PolarHBondContact OD1-CE1 3.01Å; D306-H348 IonicContact OD1-ND1 3.41Å; W343-H348 HydrophobicContact CB-CB 4.37Å; W343-H348 HydrophobicContact CE3-CB 3.81Å; W343-H348 AromaticContact CE3-CD2 3.47Å; W343-H348 VanDerWaalsContact CE3-CD2 3.47Å; W343-H348 AromaticContact CE3-CE1 3.95Å; W343-H348 AromaticContact CE3-CG 3.38Å; W343-H348 AromaticContact CE3-ND1 3.69Å; W343-H348 AromaticContact CE3-NE2 3.85Å; W343-H348 AromaticContact CZ3-CD2 3.87Å; W343-H348 AromaticContact CZ3-CE1 3.57Å; W343-H348 AromaticContact CZ3-CG 3.79Å; W343-H348 AromaticContact CZ3-ND1 3.59Å; W343-H348 AromaticContact CZ3-NE2 3.74Å; W343-H348 WeakPolarHBondContact O-CB 3.45Å; W343-H348 PolarHBondContact O-N 3.33Å; H348-L350 PolarHBondContact O-N 3.44Å
349K96.6Very high97.5Very high20 Ų2023.5 Ų23.59%0.08711%0.114CC..  trans-96.750.9-171.9-57.7-58.2-177.3-178.70112.1D20 F21 W305 K351 T352 R353D20-K349 HydrophobicContact CB-CD 3.65Å; D20-K349 VanDerWaalsContact CG-CA 3.48Å; D20-K349 WeakPolarHBondContact OD1-CA 3.2Å; F21-K349 PolarHBondContact O-NZ 2.67Å; F21-K349 VanDerWaalsContact O-NZ 3.11Å; W305-K349 HydrophobicContact CD2-CG 4.15Å; W305-K349 HydrophobicContact CE3-CG 4.39Å; W305-K349 HydrophobicContact CZ2-CG 4.31Å; K349-K351 VanDerWaalsContact C-N 3.31Å; K349-K351 PolarHBondContact O-N 2.96Å; K349-T352 PolarHBondContact O-N 3.32Å; K349-T352 VanDerWaalsContact O-N 3.15Å; K349-R353 WeakPolarHBondContact O-CB 2.96Å; K349-R353 WeakPolarHBondContact O-CG 3.38Å; K349-R353 PolarHBondContact O-N 2.82Å
350L97.8Very high97.5Very high6 Ų623.4 Ų23.43%0.03111%0.114CC..Hα-helixtrans-53.2-45.5-169.9-176.561.5000112.6M16 L17 D20 H348 R353 M354 L361 W429M16-L350 HydrophobicContact CB-CD2 3.7Å; M16-L350 HydrophobicContact CE-CD2 4.23Å; L17-L350 HydrophobicContact CD2-CD2 3.76Å; L17-L350 HydrophobicContact CD2-CG 4.08Å; L17-L350 HydrophobicContact CG-CD2 3.97Å; D20-L350 PolarHBondContact OD1-N 3.26Å; H348-L350 PolarHBondContact O-N 3.44Å; L350-R353 PolarHBondContact O-N 3.25Å; L350-M354 HydrophobicContact CD1-CG 4.09Å; L350-M354 HydrophobicContact CG-CG 4.27Å; L350-M354 WeakPolarHBondContact O-CB 3.48Å; L350-M354 VanDerWaalsContact O-CG 3.26Å; L350-M354 WeakPolarHBondContact O-CG 3.33Å; L350-M354 PolarHBondContact O-N 2.77Å; L350-L361 HydrophobicContact CD1-CB 4.06Å; L350-L361 HydrophobicContact CD1-CD2 3.7Å; L350-L361 HydrophobicContact CD2-CD2 3.75Å; L350-L361 HydrophobicContact CG-CD2 4.33Å; L350-W429 HydrophobicContact CD1-CH2 4.19Å; L350-W429 HydrophobicContact CD1-CZ3 4.43Å; L350-W429 HydrophobicContact CD2-CZ3 4.22Å
351K96.9Very high97.5Very high76 Ų7623.5 Ų23.533%0.3312%0.115SC..Hα-helixtrans-60.3-51.3179.2174.6174.2-178.8-660111.3D18 D20 K349 R353 M354 E355D18-K351 WeakPolarHBondContact O-CD 3.4Å; D20-K351 WeakPolarHBondContact OD1-CB 3.32Å; D20-K351 PolarHBondContact OD1-N 2.8Å; K349-K351 VanDerWaalsContact C-N 3.31Å; K349-K351 PolarHBondContact O-N 2.96Å; K351-R353 VanDerWaalsContact C-N 3.26Å; K351-R353 PolarHBondContact O-N 2.84Å; K351-M354 PolarHBondContact O-N 3.2Å; K351-E355 IonicContact NZ-OE1 3.14Å; K351-E355 PolarHBondContact NZ-OE1 3.2Å; K351-E355 WeakPolarHBondContact O-CG 3.29Å; K351-E355 PolarHBondContact O-N 3.34Å
352T96.4Very high97.6Very high52 Ų5225 Ų2532%0.31912%0.12SC..Hα-helixtrans-59.4-39.7177.3-61.30000111.3D20 K349 E355 L356D20-T352 WeakPolarHBondContact OD2-CB 3.42Å; D20-T352 PolarHBondContact OD2-N 3.49Å; D20-T352 PolarHBondContact OD2-OG1 3.02Å; K349-T352 PolarHBondContact O-N 3.32Å; K349-T352 VanDerWaalsContact O-N 3.15Å; T352-E355 PolarHBondContact O-N 3.22Å; T352-L356 HydrophobicContact CG2-CD1 4.22Å; T352-L356 WeakPolarHBondContact O-CG 3.42Å; T352-L356 PolarHBondContact O-N 2.86Å
353R97.6Very high97.6Very high28 Ų2825 Ų2511%0.10612%0.12CC..Hα-helixtrans-65.8-43.1178.8-67.4-61.3170.4-133.3-0.9111.9S222 D306 K349 L350 K351 L356 G357 E358S222-R353 PolarHBondContact OG-NE 3.48Å; S222-R353 PolarHBondContact OG-NH1 3.06Å; D306-R353 IonicContact OD1-CZ 3.5Å; D306-R353 IonicContact OD1-NE 2.67Å; D306-R353 PolarHBondContact OD1-NE 2.89Å; D306-R353 IonicContact OD1-NH2 3.41Å; D306-R353 PolarHBondContact OD1-NH2 3.01Å; D306-R353 IonicContact OD2-CZ 2.68Å; D306-R353 IonicContact OD2-NE 2.77Å; D306-R353 IonicContact OD2-NH2 3.98Å; D306-R353 PolarHBondContact OD2-NH2 2.68Å; K349-R353 WeakPolarHBondContact O-CB 2.96Å; K349-R353 WeakPolarHBondContact O-CG 3.38Å; K349-R353 PolarHBondContact O-N 2.82Å; L350-R353 PolarHBondContact O-N 3.25Å; K351-R353 VanDerWaalsContact C-N 3.26Å; K351-R353 PolarHBondContact O-N 2.84Å; R353-L356 CarbonylContact O-C 3.44Å; R353-L356 PolarHBondContact O-N 3.09Å; R353-L356 VanDerWaalsContact O-N 3.16Å; R353-G357 PolarHBondContact O-N 3.17Å; R353-E358 HydrophobicContact CB-CB 4.25Å; R353-E358 WeakPolarHBondContact CB-O 3.47Å; R353-E358 WeakPolarHBondContact CD-OE2 3.49Å; R353-E358 IonicContact CZ-OE2 3.8Å; R353-E358 IonicContact NE-OE2 3.34Å; R353-E358 IonicContact NH1-OE2 3.54Å; R353-E358 PolarHBondContact NH1-OE2 3.16Å; R353-E358 PolarHBondContact O-N 3.01Å
354M96.4Very high97.6Very high55 Ų5525 Ų2527%0.27112%0.12SC..Hα-helixtrans-62.6-41.7175.7-70.6-61.9-67.800111.9L17 L350 K351 L356 G357 E359 W429 I433L17-M354 HydrophobicContact CD2-CG 3.92Å; L350-M354 HydrophobicContact CD1-CG 4.09Å; L350-M354 HydrophobicContact CG-CG 4.27Å; L350-M354 WeakPolarHBondContact O-CB 3.48Å; L350-M354 VanDerWaalsContact O-CG 3.26Å; L350-M354 WeakPolarHBondContact O-CG 3.33Å; L350-M354 PolarHBondContact O-N 2.77Å; K351-M354 PolarHBondContact O-N 3.2Å; M354-L356 PolarHBondContact O-N 2.67Å; M354-G357 PolarHBondContact O-N 2.83Å; M354-E359 HydrophobicContact SD-CG 4.33Å; M354-W429 HydrophobicContact CE-CH2 4.22Å; M354-W429 HydrophobicContact CE-CZ2 3.89Å; M354-W429 HydrophobicContact SD-CH2 3.74Å; M354-W429 HydrophobicContact SD-CZ2 3.83Å; M354-I433 HydrophobicContact CE-CD1 3.9Å
355E95.8Very high97.6Very high130 Ų13025 Ų2561%0.60712%0.12SC*.Hα-helixtrans-60.1-31.3174.9-71.4170.3-176.500112.7K351 T352K351-E355 IonicContact NZ-OE1 3.14Å; K351-E355 PolarHBondContact NZ-OE1 3.2Å; K351-E355 WeakPolarHBondContact O-CG 3.29Å; K351-E355 PolarHBondContact O-N 3.34Å; T352-E355 PolarHBondContact O-N 3.22Å
356L96.5Very high97.6Very high78 Ų7826.4 Ų26.441%0.40813%0.127SC..Hα-helixtrans-89.6-7.5177-64.9173.3000113.8R226 T352 R353 M354 E358R226-L356 WeakPolarHBondContact CD-O 3.28Å; T352-L356 HydrophobicContact CG2-CD1 4.22Å; T352-L356 WeakPolarHBondContact O-CG 3.42Å; T352-L356 PolarHBondContact O-N 2.86Å; R353-L356 CarbonylContact O-C 3.44Å; R353-L356 PolarHBondContact O-N 3.09Å; R353-L356 VanDerWaalsContact O-N 3.16Å; M354-L356 PolarHBondContact O-N 2.67Å; L356-E358 VanDerWaalsContact C-N 3.35Å; L356-E358 HydrophobicContact CB-CG 3.83Å
357G97.1Very high97.6Very high3 Ų326.4 Ų26.43%0.03113%0.127CC..THydrogen-bonded Turntrans73.122.2-173.700000114.6R226 R353 M354R226-G357 VanDerWaalsContact CA-O 3.23Å; R226-G357 WeakPolarHBondContact CA-O 3.42Å; R226-G357 WeakPolarHBondContact CB-O 3.34Å; R353-G357 PolarHBondContact O-N 3.17Å; M354-G357 PolarHBondContact O-N 2.83Å
358E97.7Very high97.7Very high16 Ų1626.4 Ų26.48%0.07513%0.127CC..  trans-94.486.8-175.2-65.3179.3176.500111.5S222 R353 L356 I360S222-E358 VanDerWaalsContact CB-OE2 3.23Å; S222-E358 WeakPolarHBondContact CB-OE2 3.31Å; S222-E358 WeakPolarHBondContact O-CB 3.39Å; S222-E358 WeakPolarHBondContact O-CG 3.22Å; S222-E358 PolarHBondContact OG-OE2 3.05Å; R353-E358 HydrophobicContact CB-CB 4.25Å; R353-E358 WeakPolarHBondContact CB-O 3.47Å; R353-E358 WeakPolarHBondContact CD-OE2 3.49Å; R353-E358 IonicContact CZ-OE2 3.8Å; R353-E358 IonicContact NE-OE2 3.34Å; R353-E358 IonicContact NH1-OE2 3.54Å; R353-E358 PolarHBondContact NH1-OE2 3.16Å; R353-E358 PolarHBondContact O-N 3.01Å; L356-E358 VanDerWaalsContact C-N 3.35Å; L356-E358 HydrophobicContact CB-CG 3.83Å; E358-I360 PolarHBondContact O-N 3.4Å
359E97.6Very high97.7Very high21 Ų2127 Ų2710%0.09813%0.134CC..  trans-91.349.7-165.6-60.7-173.1-168.300115.3W228 R229 Y233 M354 L361 R362 F363W228-E359 HydrophobicContact CZ3-CB 4.2Å; R229-E359 WeakPolarHBondContact CD-OE1 3.37Å; Y233-E359 VanDerWaalsContact CE1-OE2 3.28Å; Y233-E359 WeakPolarHBondContact CE1-OE2 3.3Å; Y233-E359 PolarHBondContact OH-OE2 3.26Å; M354-E359 HydrophobicContact SD-CG 4.33Å; E359-L361 PolarHBondContact O-N 3Å; E359-R362 HydrophobicContact CB-CB 4.01Å; E359-R362 PolarHBondContact O-N 3.49Å; E359-R362 WeakPolarHBondContact OE2-CD 3.46Å; E359-R362 IonicContact OE2-NE 2.9Å; E359-F363 PolarHBondContact O-N 3Å
360I98.5Very high97.6Very high1 Ų130.1 Ų30.11%0.00515%0.149CC..Hα-helixtrans-64.1-35.3-176.9-167.7172.9000113.9F225 D306 W343 E358 F363 T364F225-I360 HydrophobicContact CB-CB 4.21Å; F225-I360 HydrophobicContact CD1-CB 4.34Å; F225-I360 HydrophobicContact CD1-CG1 4.28Å; F225-I360 HydrophobicContact CD2-CB 3.62Å; F225-I360 HydrophobicContact CD2-CD1 3.79Å; F225-I360 HydrophobicContact CD2-CG1 3.62Å; F225-I360 HydrophobicContact CE1-CG1 4.21Å; F225-I360 HydrophobicContact CE2-CB 4.09Å; F225-I360 HydrophobicContact CE2-CD1 3.41Å; F225-I360 VanDerWaalsContact CE2-CD1 3.41Å; F225-I360 HydrophobicContact CE2-CG1 3.51Å; F225-I360 HydrophobicContact CG-CB 3.75Å; F225-I360 HydrophobicContact CG-CG1 4Å; F225-I360 HydrophobicContact CZ-CD1 4.02Å; F225-I360 HydrophobicContact CZ-CG1 3.82Å; D306-I360 HydrophobicContact CB-CD1 4.04Å; W343-I360 HydrophobicContact CH2-CG1 4.34Å; W343-I360 HydrophobicContact CH2-CG2 4.26Å; W343-I360 HydrophobicContact CZ3-CG2 4.09Å; E358-I360 PolarHBondContact O-N 3.4Å; I360-F363 PolarHBondContact O-N 2.86Å; I360-T364 PolarHBondContact O-N 2.86Å; I360-T364 PolarHBondContact O-OG1 3.43Å
361L98.6Very high97.5Very high2 Ų229.9 Ų29.91%0.0115%0.148CC..Hα-helixtrans-62.9-47.7174.5178.166.3000110.3M16 L339 W343 L350 E359 F363 T364 F365 F425 W429M16-L361 HydrophobicContact CE-CD2 4.05Å; L339-L361 HydrophobicContact CD2-CD1 4.12Å; L339-L361 HydrophobicContact CD2-CD2 4.29Å; W343-L361 HydrophobicContact CB-CD1 4.38Å; W343-L361 HydrophobicContact CD2-CD1 3.4Å; W343-L361 HydrophobicContact CE3-CB 4.46Å; W343-L361 HydrophobicContact CE3-CD1 3.84Å; W343-L361 HydrophobicContact CG-CD1 3.64Å; W343-L361 HydrophobicContact CH2-CD1 4.42Å; W343-L361 HydrophobicContact CZ2-CD1 4.05Å; W343-L361 HydrophobicContact CZ3-CB 4.32Å; W343-L361 HydrophobicContact CZ3-CD1 4.32Å; L350-L361 HydrophobicContact CD1-CB 4.06Å; L350-L361 HydrophobicContact CD1-CD2 3.7Å; L350-L361 HydrophobicContact CD2-CD2 3.75Å; L350-L361 HydrophobicContact CG-CD2 4.33Å; E359-L361 PolarHBondContact O-N 3Å; L361-F363 VanDerWaalsContact C-N 3.35Å; L361-F363 PolarHBondContact O-N 2.74Å; L361-T364 VanDerWaalsContact O-CB 3.3Å; L361-T364 WeakPolarHBondContact O-CB 3.16Å; L361-T364 PolarHBondContact O-N 2.87Å; L361-T364 VanDerWaalsContact O-N 3.1Å; L361-F365 HydrophobicContact CD1-CD2 4.15Å; L361-F365 HydrophobicContact CD1-CE2 3.82Å; L361-F365 PolarHBondContact O-N 2.93Å; L361-F425 HydrophobicContact CG-CE2 4.36Å; L361-F425 HydrophobicContact CG-CZ 4.47Å; L361-W429 HydrophobicContact CD2-CZ3 4.04Å
362R98.4Very high97.4Very high32 Ų3226.3 Ų26.312%0.12113%0.133CC..Hα-helixtrans-61.1-43.2177.3-166.2-169.8175.5-72.2-3.8111.5W228 Y233 E359 T364 F365 Q366 F425 F426W228-R362 HydrophobicContact CH2-CG 4.5Å; W228-R362 VanDerWaalsContact CH2-NH1 3.33Å; W228-R362 HydrophobicContact CZ3-CB 4.49Å; Y233-R362 VanDerWaalsContact CE1-CZ 3.48Å; Y233-R362 VanDerWaalsContact CE1-NH1 3.28Å; Y233-R362 VanDerWaalsContact CG-NH1 3.35Å; E359-R362 HydrophobicContact CB-CB 4.01Å; E359-R362 PolarHBondContact O-N 3.49Å; E359-R362 WeakPolarHBondContact OE2-CD 3.46Å; E359-R362 IonicContact OE2-NE 2.9Å; R362-T364 VanDerWaalsContact C-N 3.27Å; R362-T364 PolarHBondContact O-N 3.28Å; R362-F365 PolarHBondContact O-N 3.1Å; R362-Q366 PolarHBondContact O-N 3.3Å; R362-F425 HydrophobicContact CG-CE1 4.33Å; R362-F426 HydrophobicContact CG-CE1 3.87Å; R362-F426 HydrophobicContact CG-CZ 4.38Å
363F98.7Very high97.2Very high0 Ų030.7 Ų30.70%015%0.147CC..Hα-helixtrans-55.8-43.2173.2169.5-93.9000111.9F225 W228 M235 I275 L310 E359 I360 L361 F365 Q366 F367F225-F363 HydrophobicContact CD1-CB 3.55Å; F225-F363 HydrophobicContact CD1-CD1 4.03Å; F225-F363 HydrophobicContact CD1-CD2 4.06Å; F225-F363 AromaticContact CD1-CG 3.6Å; F225-F363 HydrophobicContact CD1-CG 3.6Å; F225-F363 HydrophobicContact CE1-CB 3.76Å; F225-F363 AromaticContact CE1-CD1 3.29Å; F225-F363 HydrophobicContact CE1-CD1 3.29Å; F225-F363 AromaticContact CE1-CD2 3.76Å; F225-F363 HydrophobicContact CE1-CD2 3.76Å; F225-F363 AromaticContact CE1-CE1 3.75Å; F225-F363 HydrophobicContact CE1-CE1 3.75Å; F225-F363 HydrophobicContact CE1-CE2 4.17Å; F225-F363 AromaticContact CE1-CG 3.29Å; F225-F363 HydrophobicContact CE1-CG 3.29Å; F225-F363 HydrophobicContact CE1-CZ 4.17Å; F225-F363 HydrophobicContact CZ-CD1 4.03Å; F225-F363 HydrophobicContact CZ-CE1 4.28Å; F225-F363 HydrophobicContact CZ-CG 4.41Å; W228-F363 HydrophobicContact CD2-CB 4.31Å; W228-F363 AromaticContact CD2-CD2 3.93Å; W228-F363 HydrophobicContact CD2-CD2 3.93Å; W228-F363 AromaticContact CE2-CD2 3.65Å; W228-F363 HydrophobicContact CE3-CB 3.98Å; W228-F363 HydrophobicContact CE3-CD2 4.46Å; W228-F363 HydrophobicContact CG-CD2 4.28Å; W228-F363 HydrophobicContact CH2-CB 3.76Å; W228-F363 HydrophobicContact CH2-CD2 4.39Å; W228-F363 HydrophobicContact CZ2-CB 4.14Å; W228-F363 AromaticContact CZ2-CD2 3.9Å; W228-F363 HydrophobicContact CZ2-CD2 3.9Å; W228-F363 HydrophobicContact CZ3-CB 3.7Å; W228-F363 AromaticContact NE1-CD2 3.86Å; M235-F363 HydrophobicContact CE-CD2 4.35Å; M235-F363 HydrophobicContact CE-CE2 3.81Å; M235-F363 HydrophobicContact CE-CZ 4.38Å; M235-F363 HydrophobicContact SD-CD2 4.16Å; M235-F363 HydrophobicContact SD-CE2 4.05Å; I275-F363 HydrophobicContact CG1-CE2 3.78Å; I275-F363 HydrophobicContact CG1-CZ 3.66Å; I275-F363 HydrophobicContact CG2-CE2 4.12Å; L310-F363 HydrophobicContact CD1-CD1 4.12Å; L310-F363 HydrophobicContact CD1-CE1 4.12Å; L310-F363 HydrophobicContact CD2-CE1 4.38Å; E359-F363 PolarHBondContact O-N 3Å; I360-F363 PolarHBondContact O-N 2.86Å; L361-F363 VanDerWaalsContact C-N 3.35Å; L361-F363 PolarHBondContact O-N 2.74Å; F363-F365 PolarHBondContact O-N 2.99Å; F363-Q366 PolarHBondContact O-N 3.33Å; F363-F367 HydrophobicContact CE1-CB 4.33Å; F363-F367 HydrophobicContact CZ-CB 4.35Å; F363-F367 HydrophobicContact CZ-CD2 4.01Å; F363-F367 HydrophobicContact CZ-CG 4.45Å; F363-F367 VanDerWaalsContact O-CB 3.32Å; F363-F367 WeakPolarHBondContact O-CB 3.09Å; F363-F367 PolarHBondContact O-N 3.48Å
364T98.8Very high97Very high0 Ų030 Ų300%015%0.146CC..Hα-helixtrans-58.4-48.6-178.2-55.80000111.5L310 C313 L314 W343 I360 L361 R362 F367 I368L310-T364 HydrophobicContact CD1-CG2 3.8Å; L310-T364 WeakPolarHBondContact CD1-OG1 3.3Å; C313-T364 HydrophobicContact CB-CG2 4.18Å; L314-T364 HydrophobicContact CD2-CG2 4.13Å; L314-T364 HydrophobicContact CG-CG2 4.4Å; W343-T364 HydrophobicContact CZ2-CG2 3.96Å; W343-T364 WeakPolarHBondContact CZ2-OG1 3.36Å; I360-T364 PolarHBondContact O-N 2.86Å; I360-T364 PolarHBondContact O-OG1 3.43Å; L361-T364 VanDerWaalsContact O-CB 3.3Å; L361-T364 WeakPolarHBondContact O-CB 3.16Å; L361-T364 PolarHBondContact O-N 2.87Å; L361-T364 VanDerWaalsContact O-N 3.1Å; R362-T364 VanDerWaalsContact C-N 3.27Å; R362-T364 PolarHBondContact O-N 3.28Å; T364-F367 PolarHBondContact O-N 3.49Å; T364-I368 HydrophobicContact CG2-CD1 4.43Å; T364-I368 WeakPolarHBondContact O-CG1 3.42Å; T364-I368 PolarHBondContact O-N 3.2Å
365F98.7Very high96.9Very high0 Ų029.4 Ų29.40%015%0.146CC..Hα-helixtrans-74.6-30.4-180-76.8-85.6000113L335 L339 L361 R362 F363 F367 I368 G369 S422 F425L335-F365 HydrophobicContact CD1-CD1 4.13Å; L335-F365 HydrophobicContact CD1-CE1 3.36Å; L335-F365 HydrophobicContact CD1-CZ 3.7Å; L339-F365 HydrophobicContact CD2-CE2 3.7Å; L339-F365 HydrophobicContact CD2-CZ 3.94Å; L339-F365 HydrophobicContact CG-CE2 4.42Å; L339-F365 HydrophobicContact CG-CZ 4.16Å; L361-F365 HydrophobicContact CD1-CD2 4.15Å; L361-F365 HydrophobicContact CD1-CE2 3.82Å; L361-F365 PolarHBondContact O-N 2.93Å; R362-F365 PolarHBondContact O-N 3.1Å; F363-F365 PolarHBondContact O-N 2.99Å; F365-F367 VanDerWaalsContact C-N 3.35Å; F365-I368 HydrophobicContact CD1-CD1 3.87Å; F365-I368 HydrophobicContact CE1-CD1 4.11Å; F365-I368 HydrophobicContact CG-CD1 4.37Å; F365-I368 PolarHBondContact O-N 2.92Å; F365-G369 PolarHBondContact O-N 2.93Å; F365-S422 PolarHBondContact O-OG 3.49Å; F365-S422 VanDerWaalsContact O-OG 3.14Å; F365-F425 HydrophobicContact CB-CB 3.98Å; F365-F425 HydrophobicContact CB-CD1 3.23Å; F365-F425 HydrophobicContact CB-CD2 4.04Å; F365-F425 HydrophobicContact CB-CE1 3.64Å; F365-F425 HydrophobicContact CB-CE2 4.37Å; F365-F425 HydrophobicContact CB-CG 3.46Å; F365-F425 VanDerWaalsContact CB-CG 3.46Å; F365-F425 HydrophobicContact CB-CZ 4.19Å; F365-F425 HydrophobicContact CD1-CB 3.55Å; F365-F425 HydrophobicContact CD1-CD1 4.37Å; F365-F425 AromaticContact CD1-CD2 3.93Å; F365-F425 HydrophobicContact CD1-CD2 3.93Å; F365-F425 AromaticContact CD1-CG 3.68Å; F365-F425 HydrophobicContact CD1-CG 3.68Å; F365-F425 HydrophobicContact CD2-CD1 4.23Å; F365-F425 AromaticContact CD2-CD2 3.47Å; F365-F425 HydrophobicContact CD2-CD2 3.47Å; F365-F425 VanDerWaalsContact CD2-CD2 3.47Å; F365-F425 HydrophobicContact CD2-CE1 4.3Å; F365-F425 AromaticContact CD2-CE2 3.55Å; F365-F425 HydrophobicContact CD2-CE2 3.55Å; F365-F425 AromaticContact CD2-CG 3.83Å; F365-F425 HydrophobicContact CD2-CG 3.83Å; F365-F425 AromaticContact CD2-CZ 3.98Å; F365-F425 HydrophobicContact CD2-CZ 3.98Å; F365-F425 HydrophobicContact CE1-CB 4.18Å; F365-F425 HydrophobicContact CE1-CD2 4.26Å; F365-F425 HydrophobicContact CE1-CG 4.38Å; F365-F425 AromaticContact CE2-CD2 3.84Å; F365-F425 HydrophobicContact CE2-CD2 3.84Å; F365-F425 HydrophobicContact CE2-CE2 4.01Å; F365-F425 HydrophobicContact CG-CB 3.79Å; F365-F425 AromaticContact CG-CD1 3.71Å; F365-F425 HydrophobicContact CG-CD1 3.71Å; F365-F425 AromaticContact CG-CD2 3.52Å; F365-F425 HydrophobicContact CG-CD2 3.52Å; F365-F425 HydrophobicContact CG-CE1 4.16Å; F365-F425 AromaticContact CG-CE2 4Å; F365-F425 HydrophobicContact CG-CE2 4Å; F365-F425 AromaticContact CG-CG 3.36Å; F365-F425 HydrophobicContact CG-CG 3.36Å; F365-F425 HydrophobicContact CG-CZ 4.29Å; F365-F425 HydrophobicContact CZ-CD2 4.21Å
366Q98.3Very high96.7Very high31 Ų3127.3 Ų27.315%0.14514%0.136CC..Hα-helixtrans-62.7-44168.4-161.7164.7-23.500111.5W228 Y233 M235 R362 F363 I368 G369 E370 F426W228-Q366 HydrophobicContact CH2-CB 4.43Å; W228-Q366 HydrophobicContact CZ2-CB 4.26Å; W228-Q366 HydrophobicContact CZ2-CG 4.49Å; Y233-Q366 PolarHBondContact O-NE2 2.97Å; M235-Q366 HydrophobicContact CG-CG 4.28Å; M235-Q366 HydrophobicContact SD-CB 4.24Å; M235-Q366 HydrophobicContact SD-CG 3.93Å; R362-Q366 PolarHBondContact O-N 3.3Å; F363-Q366 PolarHBondContact O-N 3.33Å; Q366-I368 VanDerWaalsContact C-N 3.3Å; Q366-I368 PolarHBondContact O-N 3.3Å; Q366-G369 PolarHBondContact O-N 3.15Å; Q366-E370 PolarHBondContact O-N 3.41Å; Q366-F426 HydrophobicContact CB-CE2 4.23Å; Q366-F426 HydrophobicContact CB-CZ 3.8Å; Q366-F426 HydrophobicContact CG-CZ 4.28Å
367F98.4Very high96.7Very high0 Ų023.6 Ų23.60%012%0.117CC..Hα-helixtrans-62.4-37.5177.7-171.7-89.5000111.8M235 Y276 T279 V280 L314 F363 T364 F365 G369 E370 M371M235-F367 HydrophobicContact CE-CB 3.78Å; M235-F367 HydrophobicContact CE-CD2 3.57Å; M235-F367 HydrophobicContact CE-CG 4.13Å; Y276-F367 AromaticContact CD2-CD2 3.88Å; Y276-F367 HydrophobicContact CD2-CD2 3.88Å; Y276-F367 AromaticContact CD2-CE2 3.49Å; Y276-F367 HydrophobicContact CD2-CE2 3.49Å; Y276-F367 VanDerWaalsContact CD2-CE2 3.49Å; Y276-F367 HydrophobicContact CD2-CZ 4.46Å; Y276-F367 HydrophobicContact CE2-CD2 4.27Å; Y276-F367 AromaticContact CE2-CE2 3.81Å; Y276-F367 HydrophobicContact CE2-CE2 3.81Å; Y276-F367 HydrophobicContact CE2-CZ 4.42Å; Y276-F367 HydrophobicContact CG-CE2 4.1Å; T279-F367 HydrophobicContact CG2-CD1 4.1Å; T279-F367 HydrophobicContact CG2-CD2 4.11Å; T279-F367 HydrophobicContact CG2-CE1 3.61Å; T279-F367 HydrophobicContact CG2-CE2 3.66Å; T279-F367 HydrophobicContact CG2-CG 4.33Å; T279-F367 HydrophobicContact CG2-CZ 3.38Å; V280-F367 HydrophobicContact CG2-CE2 4.2Å; V280-F367 HydrophobicContact CG2-CZ 3.69Å; L314-F367 HydrophobicContact CD1-CD1 3.91Å; L314-F367 HydrophobicContact CD1-CE1 4.05Å; L314-F367 HydrophobicContact CD2-CD1 3.72Å; L314-F367 HydrophobicContact CD2-CE1 4.38Å; L314-F367 HydrophobicContact CG-CD1 4.49Å; F363-F367 HydrophobicContact CE1-CB 4.33Å; F363-F367 HydrophobicContact CZ-CB 4.35Å; F363-F367 HydrophobicContact CZ-CD2 4.01Å; F363-F367 HydrophobicContact CZ-CG 4.45Å; F363-F367 VanDerWaalsContact O-CB 3.32Å; F363-F367 WeakPolarHBondContact O-CB 3.09Å; F363-F367 PolarHBondContact O-N 3.48Å; T364-F367 PolarHBondContact O-N 3.49Å; F365-F367 VanDerWaalsContact C-N 3.35Å; F367-G369 VanDerWaalsContact C-N 3.34Å; F367-G369 PolarHBondContact O-N 3.27Å; F367-E370 PolarHBondContact O-N 3Å; F367-M371 HydrophobicContact CD1-CB 4.37Å; F367-M371 HydrophobicContact CD1-CG 4.25Å; F367-M371 HydrophobicContact CD1-SD 3.73Å; F367-M371 HydrophobicContact CE1-CB 4.04Å; F367-M371 HydrophobicContact CE1-CG 4.2Å; F367-M371 HydrophobicContact CE1-SD 3.48Å; F367-M371 WeakPolarHBondContact CE1-SD 3.43Å; F367-M371 HydrophobicContact CZ-CB 4.5Å; F367-M371 WeakPolarHBondContact O-CB 3.39Å; F367-M371 VanDerWaalsContact O-CG 3.28Å; F367-M371 WeakPolarHBondContact O-CG 3.09Å; F367-M371 PolarHBondContact O-N 3.06Å
368I98.6Very high96.6Very high0 Ų023.4 Ų23.40%012%0.115CC..Hα-helixtrans-55.5-47.9173.1-73.5166.4000111.3L314 C317 T364 F365 Q366 M371 A372 L418 L421L314-I368 HydrophobicContact CD2-CD1 4.4Å; L314-I368 HydrophobicContact CD2-CG1 3.73Å; C317-I368 HydrophobicContact CB-CD1 4.34Å; T364-I368 HydrophobicContact CG2-CD1 4.43Å; T364-I368 WeakPolarHBondContact O-CG1 3.42Å; T364-I368 PolarHBondContact O-N 3.2Å; F365-I368 HydrophobicContact CD1-CD1 3.87Å; F365-I368 HydrophobicContact CE1-CD1 4.11Å; F365-I368 HydrophobicContact CG-CD1 4.37Å; F365-I368 PolarHBondContact O-N 2.92Å; Q366-I368 VanDerWaalsContact C-N 3.3Å; Q366-I368 PolarHBondContact O-N 3.3Å; I368-M371 HydrophobicContact CB-CE 4.3Å; I368-M371 HydrophobicContact CG1-CE 3.79Å; I368-M371 WeakPolarHBondContact O-CG 3.49Å; I368-M371 PolarHBondContact O-N 2.89Å; I368-A372 PolarHBondContact O-N 3.02Å; I368-L418 HydrophobicContact CG2-CB 4.32Å; I368-L418 HydrophobicContact CG2-CD2 4.01Å; I368-L421 HydrophobicContact CD1-CD2 4.38Å; I368-L421 HydrophobicContact CG2-CD2 4.1Å; I368-L421 HydrophobicContact CG2-CG 4.45Å
369G97.6Very high96.4Very high17 Ų1722.7 Ų22.718%0.17511%0.112CC..Hα-helixtrans-62.8-46.2176.900000112.7F365 Q366 F367 M371 A372F365-G369 PolarHBondContact O-N 2.93Å; Q366-G369 PolarHBondContact O-N 3.15Å; F367-G369 VanDerWaalsContact C-N 3.34Å; F367-G369 PolarHBondContact O-N 3.27Å; G369-M371 PolarHBondContact O-N 3.38Å; G369-A372 VanDerWaalsContact O-CB 3.23Å; G369-A372 WeakPolarHBondContact O-CB 3.43Å; G369-A372 PolarHBondContact O-N 2.98Å
370E96.2Very high96.1Very high85 Ų8522.5 Ų22.540%0.39711%0.11SC..Hα-helixtrans-64.3-39.1178.9-67.3-58.8152.300112.9M235 Y276 Q366 F367 A372M235-E370 HydrophobicContact CB-CG 4.19Å; M235-E370 HydrophobicContact CE-CB 4.49Å; M235-E370 HydrophobicContact CE-CG 4.06Å; M235-E370 HydrophobicContact CG-CG 3.74Å; Y276-E370 HydrophobicContact CE2-CB 3.85Å; Q366-E370 PolarHBondContact O-N 3.41Å; F367-E370 PolarHBondContact O-N 3Å; E370-A372 PolarHBondContact O-N 2.88Å
371M94.9Very high95.8Very high0 Ų027.7 Ų27.70%013%0.13CC..Hα-helixtrans-79-3.7-179.277.9174.5176.400113.6L314 L318 F367 I368 G369 K373 C374 L377 L418L314-M371 HydrophobicContact CD2-CE 3.7Å; L314-M371 HydrophobicContact CD2-SD 4.29Å; L318-M371 HydrophobicContact CD1-CE 4.14Å; L318-M371 HydrophobicContact CD1-SD 3.98Å; L318-M371 HydrophobicContact CD2-CE 3.58Å; L318-M371 HydrophobicContact CD2-CG 4.43Å; L318-M371 HydrophobicContact CD2-SD 3.75Å; L318-M371 HydrophobicContact CG-CE 3.64Å; L318-M371 HydrophobicContact CG-SD 4.04Å; F367-M371 HydrophobicContact CD1-CB 4.37Å; F367-M371 HydrophobicContact CD1-CG 4.25Å; F367-M371 HydrophobicContact CD1-SD 3.73Å; F367-M371 HydrophobicContact CE1-CB 4.04Å; F367-M371 HydrophobicContact CE1-CG 4.2Å; F367-M371 HydrophobicContact CE1-SD 3.48Å; F367-M371 WeakPolarHBondContact CE1-SD 3.43Å; F367-M371 HydrophobicContact CZ-CB 4.5Å; F367-M371 WeakPolarHBondContact O-CB 3.39Å; F367-M371 VanDerWaalsContact O-CG 3.28Å; F367-M371 WeakPolarHBondContact O-CG 3.09Å; F367-M371 PolarHBondContact O-N 3.06Å; I368-M371 HydrophobicContact CB-CE 4.3Å; I368-M371 HydrophobicContact CG1-CE 3.79Å; I368-M371 WeakPolarHBondContact O-CG 3.49Å; I368-M371 PolarHBondContact O-N 2.89Å; G369-M371 PolarHBondContact O-N 3.38Å; M371-K373 PolarHBondContact O-N 3.09Å; M371-C374 HydrophobicContact CB-CB 4.21Å; M371-C374 WeakPolarHBondContact O-CB 3.49Å; M371-C374 PolarHBondContact O-N 3.41Å; M371-L377 HydrophobicContact CB-CD1 4.28Å; M371-L377 HydrophobicContact SD-CD1 4.24Å; M371-L418 HydrophobicContact CE-CD2 4.49Å
372A95.6Very high95.5Very high2 Ų229.5 Ų29.52%0.01714%0.141CC..THydrogen-bonded Turntrans-56-35.6178.100000112.3I368 G369 E370 R414 Q415 L418 E419I368-A372 PolarHBondContact O-N 3.02Å; G369-A372 VanDerWaalsContact O-CB 3.23Å; G369-A372 WeakPolarHBondContact O-CB 3.43Å; G369-A372 PolarHBondContact O-N 2.98Å; E370-A372 PolarHBondContact O-N 2.88Å; A372-R414 PolarHBondContact O-NH1 3.44Å; A372-R414 VanDerWaalsContact O-NH1 3.16Å; A372-Q415 HydrophobicContact CB-CG 3.99Å; A372-L418 HydrophobicContact CB-CB 3.66Å; A372-L418 HydrophobicContact CB-CD1 4.41Å; A372-E419 HydrophobicContact CB-CG 3.64Å
373K91.4Very high95.1Very high143 Ų14329.7 Ų29.762%0.62214%0.142SC*.THydrogen-bonded Turntrans-84.3-9.2177.5-64.4169.9-173.3168.70113.7M371 T375 Q415M371-K373 PolarHBondContact O-N 3.09Å; K373-T375 VanDerWaalsContact C-N 3.34Å; K373-T375 PolarHBondContact O-N 2.99Å; K373-Q415 HydrophobicContact CG-CG 4.38Å
374C94.2Very high94.4Very high13 Ų1334.6 Ų34.69%0.08817%0.168CC..  trans-80.481-176.4-166.50000110.3M371 E376 L377 R414M371-C374 HydrophobicContact CB-CB 4.21Å; M371-C374 WeakPolarHBondContact O-CB 3.49Å; M371-C374 PolarHBondContact O-N 3.41Å; C374-E376 PolarHBondContact O-N 3.26Å; C374-E376 WeakPolarHBondContact SG-CG 3.41Å; C374-E376 PolarHBondContact SG-OE1 2.98Å; C374-L377 HydrophobicContact CB-CD1 4.22Å; C374-L377 PolarHBondContact O-N 3.15Å; C374-L377 VanDerWaalsContact O-N 3.1Å; C374-R414 PolarHBondContact O-NH1 3.48Å; C374-R414 PolarHBondContact O-NH2 3.01Å
375T92.7Very high93.6Very high43 Ų4335.5 Ų35.526%0.26417%0.172SC..G310 helixtrans-66.9-21.5-177.359.30000113.3K373 L377 S378 R381 Q411K373-T375 VanDerWaalsContact C-N 3.34Å; K373-T375 PolarHBondContact O-N 2.99Å; T375-L377 PolarHBondContact O-N 3.25Å; T375-S378 VanDerWaalsContact O-CB 3.3Å; T375-S378 WeakPolarHBondContact O-CB 3.35Å; T375-S378 PolarHBondContact O-N 3.21Å; T375-R381 PolarHBondContact OG1-NH1 3.17Å; T375-Q411 HydrophobicContact CG2-CG 4.45Å
376E93Very high92.2Very high86 Ų8639.8 Ų39.840%0.40219%0.192SC..G310 helixtrans-68.2-11.117258.3173.9-157.200113.8L261 K284 C374L261-E376 WeakPolarHBondContact CD2-O 3.17Å; K284-E376 WeakPolarHBondContact CE-OE1 3.49Å; K284-E376 WeakPolarHBondContact CE-OE2 3.23Å; K284-E376 IonicContact NZ-OE1 2.65Å; K284-E376 PolarHBondContact NZ-OE1 2.88Å; K284-E376 IonicContact NZ-OE2 3.23Å; K284-E376 PolarHBondContact NZ-OE2 3.24Å; C374-E376 PolarHBondContact O-N 3.26Å; C374-E376 WeakPolarHBondContact SG-CG 3.41Å; C374-E376 PolarHBondContact SG-OE1 2.98Å
377L96Very high90.3Very high0 Ų041.7 Ų41.70%021%0.206CC..G310 helixtrans-96.44.4170-69.2176.9000112.7V280 M283 K284 L287 L318 M371 C374 T375 R414V280-L377 HydrophobicContact CG1-CD1 4.36Å; V280-L377 HydrophobicContact CG1-CD2 4.36Å; V280-L377 HydrophobicContact CG1-CG 4.42Å; V280-L377 HydrophobicContact CG2-CD1 4.41Å; M283-L377 HydrophobicContact CB-CD2 3.82Å; K284-L377 HydrophobicContact CG-CD2 3.68Å; L287-L377 HydrophobicContact CD1-CB 4.45Å; L287-L377 HydrophobicContact CD1-CD2 4.2Å; L287-L377 WeakPolarHBondContact CD1-O 3.21Å; L318-L377 HydrophobicContact CD1-CB 4.31Å; L318-L377 HydrophobicContact CD1-CD1 4.35Å; L318-L377 HydrophobicContact CD2-CB 4.46Å; M371-L377 HydrophobicContact CB-CD1 4.28Å; M371-L377 HydrophobicContact SD-CD1 4.24Å; C374-L377 HydrophobicContact CB-CD1 4.22Å; C374-L377 PolarHBondContact O-N 3.15Å; C374-L377 VanDerWaalsContact O-N 3.1Å; T375-L377 PolarHBondContact O-N 3.25Å; L377-R414 PolarHBondContact O-NH2 2.93Å
378S95.3Very high88.1Confident0 Ų046.4 Ų46.40%024%0.235CC..  trans-84.9113.8175-177.50000110.1D322 T375 R380 R381 V382 Q411D322-S378 WeakPolarHBondContact OD1-CB 3.12Å; D322-S378 PolarHBondContact OD1-OG 2.82Å; D322-S378 VanDerWaalsContact OD2-CA 3.29Å; D322-S378 WeakPolarHBondContact OD2-CA 3.49Å; T375-S378 VanDerWaalsContact O-CB 3.3Å; T375-S378 WeakPolarHBondContact O-CB 3.35Å; T375-S378 PolarHBondContact O-N 3.21Å; S378-R380 VanDerWaalsContact C-N 3.29Å; S378-R380 PolarHBondContact O-N 3.47Å; S378-R381 PolarHBondContact O-N 3.37Å; S378-R381 PolarHBondContact OG-N 3.04Å; S378-V382 WeakPolarHBondContact O-CB 3.36Å; S378-V382 WeakPolarHBondContact O-CG2 3.39Å; S378-V382 PolarHBondContact O-N 3.03Å; S378-Q411 PolarHBondContact OG-NE2 2.92Å
379L93.5Very high85.4Confident0 Ų053.4 Ų53.40%027%0.272CS..Hα-helixtrans-60.9-41.1173.1-78.4-177.8000111.1F106 L261 L287 Y291 L319 D322 L324 R381 V382 Y383 I385F106-L379 HydrophobicContact CE1-CD1 4.28Å; F106-L379 HydrophobicContact CZ-CD1 4.34Å; L261-L379 HydrophobicContact CD1-CD2 3.64Å; L287-L379 HydrophobicContact CB-CD2 4.08Å; L287-L379 HydrophobicContact CB-CG 4.43Å; L287-L379 HydrophobicContact CD2-CD1 4.05Å; L287-L379 HydrophobicContact CD2-CG 4.18Å; Y291-L379 HydrophobicContact CD2-CD2 4.42Å; Y291-L379 HydrophobicContact CG-CD2 4.37Å; L319-L379 HydrophobicContact CD2-CD1 3.58Å; D322-L379 PolarHBondContact OD2-N 3.11Å; L324-L379 HydrophobicContact CD1-CB 3.66Å; L324-L379 HydrophobicContact CD1-CD1 4.01Å; L324-L379 HydrophobicContact CD1-CG 4.46Å; L379-R381 VanDerWaalsContact C-N 3.3Å; L379-R381 PolarHBondContact O-N 3.12Å; L379-V382 PolarHBondContact O-N 2.94Å; L379-Y383 HydrophobicContact CD2-CD2 3.68Å; L379-Y383 HydrophobicContact CD2-CE2 3.4Å; L379-Y383 VanDerWaalsContact CD2-CE2 3.4Å; L379-Y383 WeakPolarHBondContact O-CD2 3.43Å; L379-Y383 PolarHBondContact O-N 3.1Å; L379-I385 HydrophobicContact CB-CD1 4Å; L379-I385 WeakPolarHBondContact O-CD1 3.5Å
380R90.5Very high82.5Confident17 Ų1756.5 Ų56.56%0.06431%0.305CS..Hα-helixtrans-55.9-47.5177.1-101.4-166.5170161.8-2.7111.2D322 D323 L324 S378 D384 I385 S407D322-R380 WeakPolarHBondContact O-CD 3.27Å; D322-R380 PolarHBondContact O-NE 3.27Å; D322-R380 PolarHBondContact O-NH1 3.41Å; D323-R380 VanDerWaalsContact CB-NH1 3.34Å; D323-R380 IonicContact OD2-NH1 3.31Å; D323-R380 IonicContact OD2-NH2 2.82Å; L324-R380 HydrophobicContact CD2-CG 4.2Å; L324-R380 HydrophobicContact CG-CG 4.48Å; S378-R380 VanDerWaalsContact C-N 3.29Å; S378-R380 PolarHBondContact O-N 3.47Å; R380-D384 CarbonylContact O-C 3.12Å; R380-D384 VanDerWaalsContact O-CA 3.24Å; R380-D384 WeakPolarHBondContact O-CA 3.4Å; R380-D384 PolarHBondContact O-N 2.92Å; R380-I385 HydrophobicContact CG-CB 4.1Å; R380-I385 PolarHBondContact O-N 3.08Å; R380-S407 PolarHBondContact O-OG 3.35Å
381R91.4Very high79.5Confident111 Ų11157.1 Ų57.142%0.41932%0.318SS..Hα-helixtrans-69.9-47.2-178.4-174.3-179.4170.8140.4-1.6112.6T375 S378 L379 S407T375-R381 PolarHBondContact OG1-NH1 3.17Å; S378-R381 PolarHBondContact O-N 3.37Å; S378-R381 PolarHBondContact OG-N 3.04Å; L379-R381 VanDerWaalsContact C-N 3.3Å; L379-R381 PolarHBondContact O-N 3.12Å; R381-S407 WeakPolarHBondContact CA-OG 3.42Å; R381-S407 PolarHBondContact N-OG 2.96Å
382V92.3Very high76.5Confident40 Ų4064.6 Ų64.624%0.24235%0.351CS..Hα-helixtrans-72.5-33.8-172.2174.40000111.8L260 L261 S378 L379L260-V382 HydrophobicContact CB-CG1 4.35Å; L260-V382 HydrophobicContact CD2-CG1 3.74Å; L260-V382 WeakPolarHBondContact CD2-O 3.45Å; L260-V382 HydrophobicContact CG-CG1 3.74Å; L261-V382 HydrophobicContact CD2-CB 3.97Å; L261-V382 HydrophobicContact CD2-CG1 3.86Å; L261-V382 HydrophobicContact CD2-CG2 3.71Å; L261-V382 HydrophobicContact CG-CB 4.39Å; L261-V382 HydrophobicContact CG-CG1 3.91Å; S378-V382 WeakPolarHBondContact O-CB 3.36Å; S378-V382 WeakPolarHBondContact O-CG2 3.39Å; S378-V382 PolarHBondContact O-N 3.03Å; L379-V382 PolarHBondContact O-N 2.94Å
383Y90.7Very high73.4Confident35 Ų3570 Ų7014%0.13739%0.388CS..THydrogen-bonded Turntrans-105.38.5179.9-62.2-82.6000114.5L260 L261 G288 Y291 E292 L379 I385L260-Y383 HydrophobicContact CB-CE1 3.72Å; L260-Y383 HydrophobicContact CD2-CD1 3.94Å; L260-Y383 HydrophobicContact CD2-CE1 3.94Å; L260-Y383 HydrophobicContact CG-CE1 4.45Å; L261-Y383 HydrophobicContact CD1-CE2 3.79Å; L261-Y383 HydrophobicContact CG-CE2 3.93Å; G288-Y383 WeakPolarHBondContact CA-OH 3.38Å; Y291-Y383 AromaticContact CD1-CD1 3.37Å; Y291-Y383 HydrophobicContact CD1-CD1 3.37Å; Y291-Y383 AromaticContact CD1-CD2 3.77Å; Y291-Y383 HydrophobicContact CD1-CD2 3.77Å; Y291-Y383 AromaticContact CD1-CE1 3.52Å; Y291-Y383 HydrophobicContact CD1-CE1 3.52Å; Y291-Y383 AromaticContact CD1-CE2 3.91Å; Y291-Y383 HydrophobicContact CD1-CE2 3.91Å; Y291-Y383 AromaticContact CD1-CG 3.5Å; Y291-Y383 HydrophobicContact CD1-CG 3.5Å; Y291-Y383 AromaticContact CD1-CZ 3.78Å; Y291-Y383 HydrophobicContact CD2-CD2 4.38Å; Y291-Y383 AromaticContact CE1-CD1 3.38Å; Y291-Y383 HydrophobicContact CE1-CD1 3.38Å; Y291-Y383 HydrophobicContact CE1-CD2 4.09Å; Y291-Y383 HydrophobicContact CE1-CE1 4.02Å; Y291-Y383 AromaticContact CE1-CG 3.42Å; Y291-Y383 HydrophobicContact CE1-CG 3.42Å; Y291-Y383 VanDerWaalsContact CE1-CG 3.42Å; Y291-Y383 HydrophobicContact CG-CD1 4.34Å; Y291-Y383 AromaticContact CG-CD2 3.93Å; Y291-Y383 HydrophobicContact CG-CD2 3.93Å; Y291-Y383 HydrophobicContact CG-CE1 4.36Å; Y291-Y383 AromaticContact CG-CE2 3.98Å; Y291-Y383 HydrophobicContact CG-CE2 3.98Å; Y291-Y383 HydrophobicContact CG-CG 4.12Å; Y291-Y383 AromaticContact CZ-CG 3.98Å; E292-Y383 HydrophobicContact CG-CE1 3.64Å; E292-Y383 VanDerWaalsContact OE1-CE1 3.29Å; E292-Y383 WeakPolarHBondContact OE1-CE1 3.21Å; E292-Y383 PolarHBondContact OE1-OH 2.94Å; L379-Y383 HydrophobicContact CD2-CD2 3.68Å; L379-Y383 HydrophobicContact CD2-CE2 3.4Å; L379-Y383 VanDerWaalsContact CD2-CE2 3.4Å; L379-Y383 WeakPolarHBondContact O-CD2 3.43Å; L379-Y383 PolarHBondContact O-N 3.1Å; Y383-I385 VanDerWaalsContact C-N 3.32Å; Y383-I385 PolarHBondContact O-N 3.25Å
384D85.2Confident70.5Confident103 Ų10368 Ų6855%0.55139%0.393SS*.THydrogen-bonded Turntrans4951.3-178-161.525.7000112.8R380 H386R380-D384 CarbonylContact O-C 3.12Å; R380-D384 VanDerWaalsContact O-CA 3.24Å; R380-D384 WeakPolarHBondContact O-CA 3.4Å; R380-D384 PolarHBondContact O-N 2.92Å; D384-H386 PolarHBondContact O-N 3.19Å; D384-H386 IonicContact OD1-CE1 3.53Å; D384-H386 PolarHBondContact OD1-CE1 3.37Å; D384-H386 VanDerWaalsContact OD1-CE1 3.26Å; D384-H386 IonicContact OD1-NE2 3.62Å; D384-H386 IonicContact OD2-NE2 3.85Å
385I80.3Confident67.7Low19 Ų1974.8 Ų74.810%0.09743%0.428CS..  trans-82.7109.1-174.2-47.3169.9000109.4Y291 L324 L379 R380 Y383Y291-I385 HydrophobicContact CD2-CD1 4Å; Y291-I385 HydrophobicContact CE2-CD1 3.28Å; Y291-I385 HydrophobicContact CE2-CG1 3.93Å; L324-I385 HydrophobicContact CD1-CD1 4.17Å; L324-I385 HydrophobicContact CD2-CD1 4.44Å; L324-I385 HydrophobicContact CD2-CG2 4.29Å; L379-I385 HydrophobicContact CB-CD1 4Å; L379-I385 WeakPolarHBondContact O-CD1 3.5Å; R380-I385 HydrophobicContact CG-CB 4.1Å; R380-I385 PolarHBondContact O-N 3.08Å; Y383-I385 VanDerWaalsContact C-N 3.32Å; Y383-I385 PolarHBondContact O-N 3.25Å
386H70.7Confident64.9Low90 Ų9077.6 Ų77.642%0.41745%0.449SS..  trans-88.7128.7167.7-54.6-48.4000110.5D384 L404D384-H386 PolarHBondContact O-N 3.19Å; D384-H386 IonicContact OD1-CE1 3.53Å; D384-H386 PolarHBondContact OD1-CE1 3.37Å; D384-H386 VanDerWaalsContact OD1-CE1 3.26Å; D384-H386 IonicContact OD1-NE2 3.62Å; D384-H386 IonicContact OD2-NE2 3.85Å; H386-L404 HydrophobicContact CB-CD2 4.03Å
387V58.4Low62.1Low71 Ų7182 Ų8243%0.4348%0.476SS..  trans-92.5115169.2177.20000107.3L324L324-V387 HydrophobicContact CD2-CG2 4.47Å
388T51.1Low59.1Low100 Ų10088.3 Ų88.361%0.61351%0.509SS*.  trans-80.4122.3165.950.30000107.9G390T388-G390 PolarHBondContact O-N 3.38Å
389D42.7Very low56.2Low146 Ų14693.9 Ų93.978%0.78155%0.548SS*.  trans-56106.6173.9-96.2-23.3000110S391D389-S391 PolarHBondContact O-N 3.46Å
390G35.7Very low53.2Low83 Ų8396.7 Ų96.786%0.85657%0.568SS**  trans-79.837-172.700000114.1T388T388-G390 PolarHBondContact O-N 3.38Å
391S33.3Very low50.6Low97 Ų97104.5 Ų104.568%0.67860%0.603SS**  trans-130.752.2-179.570.50000112.9D389D389-S391 PolarHBondContact O-N 3.46Å
392K31.4Very low48.2Very low157 Ų157104.5 Ų104.568%0.68361%0.61SS**  trans-143.195.1153.5-71.7-165.2-178.2178.30110.2S400K392-S400 VanDerWaalsContact NZ-CB 3.26Å; K392-S400 PolarHBondContact NZ-OG 3.15Å
393S32.4Very low45.9Very low115 Ų115106.9 Ų106.980%0.80462%0.621SS**  trans-61.7133.8157.154.30000108.8D395S393-D395 PolarHBondContact O-N 2.93Å
394S30.3Very low44Very low103 Ų103110.2 Ų110.272%0.7264%0.641SS**SBendtrans-34.1112.6171.5510000114
395D34.2Very low42.5Very low154 Ų154112 Ų11282%0.82464%0.64SS**  trans16679.6141.9-84.7-13.2000108.9S393S393-D395 PolarHBondContact O-N 2.93Å
396S34.5Very low41.5Very low103 Ų103113.3 Ų113.372%0.7265%0.651SS**  trans178.9124.9149.529.10000110D398S396-D398 VanDerWaalsContact C-N 3.26Å; S396-D398 PolarHBondContact O-N 3.1Å
397D34.6Very low41.4Very low178 Ų178109.4 Ų109.495%0.95263%0.633SS**  trans-60.990.3160.3-79.7-36.9000108.2
398D33.4Very low42.1Very low132 Ų132110.7 Ų110.771%0.70664%0.638SS**  trans-146.6129.6159.6-141.2-7.1000109.1S396 S400S396-D398 VanDerWaalsContact C-N 3.26Å; S396-D398 PolarHBondContact O-N 3.1Å; D398-S400 PolarHBondContact O-N 2.54Å
399S33.5Very low43.3Very low117 Ų117111.2 Ų111.282%0.81864%0.637SS**  trans-69.664-177.4550000111.2F401S399-F401 PolarHBondContact O-N 2.97Å; S399-F401 VanDerWaalsContact O-N 3.13Å
400S31.3Very low45.3Very low59 Ų59105.3 Ų105.341%0.41361%0.605SS.*  trans-74.3107173.663.80000108.8K392 D398 I402K392-S400 VanDerWaalsContact NZ-CB 3.26Å; K392-S400 PolarHBondContact NZ-OG 3.15Å; D398-S400 PolarHBondContact O-N 2.54Å; S400-I402 PolarHBondContact O-N 2.75Å
401F35.5Very low47.9Very low181 Ų181102.2 Ų102.279%0.79457%0.569SS**  trans-46.2109.2169.7-165.9-93.9000109.5S399 D403S399-F401 PolarHBondContact O-N 2.97Å; S399-F401 VanDerWaalsContact O-N 3.13Å; F401-D403 PolarHBondContact O-N 3.34Å
402I41.5Very low50.8Low111 Ų111101.5 Ų101.557%0.56956%0.562SS**  trans-73.1110.2169.3-59.4172.8000104.9S400 L404S400-I402 PolarHBondContact O-N 2.75Å; I402-L404 HydrophobicContact CG2-CG 4.09Å; I402-L404 PolarHBondContact O-N 3.22Å
403D42.2Very low53.7Low91 Ų9197.5 Ų97.549%0.48755%0.547SS..  trans-71.477.1175.6-165.420.6000108.5F401 R405F401-D403 PolarHBondContact O-N 3.34Å; D403-R405 PolarHBondContact O-N 3.14Å; D403-R405 IonicContact OD2-CZ 3.36Å; D403-R405 IonicContact OD2-NE 2.78Å; D403-R405 PolarHBondContact OD2-NE 3.04Å; D403-R405 IonicContact OD2-NH2 3.71Å; D403-R405 PolarHBondContact OD2-NH2 3.06Å
404L50.8Low56.7Low104 Ų10492.1 Ų92.155%0.54551%0.51SS..  trans-67.675.8167.8-83.2156.4000107.6H386 I402 S406H386-L404 HydrophobicContact CB-CD2 4.03Å; I402-L404 HydrophobicContact CG2-CG 4.09Å; I402-L404 PolarHBondContact O-N 3.22Å; L404-S406 PolarHBondContact O-N 3.45Å
405R54Low59.9Low141 Ų14190.2 Ų90.253%0.53249%0.489SS..  trans-61.8124.1171.1-66.4-172.6-176.8-176.72.9107.8D403 L410D403-R405 PolarHBondContact O-N 3.14Å; D403-R405 IonicContact OD2-CZ 3.36Å; D403-R405 IonicContact OD2-NE 2.78Å; D403-R405 PolarHBondContact OD2-NE 3.04Å; D403-R405 IonicContact OD2-NH2 3.71Å; D403-R405 PolarHBondContact OD2-NH2 3.06Å; R405-L410 HydrophobicContact CB-CD1 4.07Å; R405-L410 HydrophobicContact CB-CD2 4.36Å; R405-L410 HydrophobicContact CB-CG 4.12Å
406S60.1Low62.8Low47 Ų4785.7 Ų85.733%0.32947%0.47SS..  trans-62.1152.5176.7790000109L404 D408 D409L404-S406 PolarHBondContact O-N 3.45Å; S406-D408 PolarHBondContact O-N 2.82Å; S406-D408 VanDerWaalsContact O-N 3.11Å; S406-D409 WeakPolarHBondContact CB-OD2 3.43Å; S406-D409 PolarHBondContact N-OD2 3.34Å; S406-D409 PolarHBondContact O-N 3.29Å; S406-D409 VanDerWaalsContact O-N 3.11Å; S406-D409 PolarHBondContact OG-N 2.78Å; S406-D409 PolarHBondContact OG-OD2 3.37Å
407S68.1Low65.8Low7 Ų782.9 Ų82.95%0.04944%0.443CS..THydrogen-bonded Turntrans-60.8-23.9-179.9-176.70000112.9R380 R381 Q411R380-S407 PolarHBondContact O-OG 3.35Å; R381-S407 WeakPolarHBondContact CA-OG 3.42Å; R381-S407 PolarHBondContact N-OG 2.96Å; S407-Q411 PolarHBondContact O-NE2 3.11Å; S407-Q411 VanDerWaalsContact O-NE2 3.12Å
408D74.3Confident68.9Low99 Ų9974.4 Ų74.453%0.52940%0.398SS..THydrogen-bonded Turntrans-75.2-36177.9-76.7-24.8000111.9S406 L410 Q411S406-D408 PolarHBondContact O-N 2.82Å; S406-D408 VanDerWaalsContact O-N 3.11Å; D408-L410 PolarHBondContact O-N 3.45Å; D408-Q411 PolarHBondContact O-N 3.46Å
409D75.4Confident71.9Confident111 Ų11171.1 Ų71.159%0.59438%0.378SS*.THydrogen-bonded Turntrans-64.8-21.5177.5-60.8-42.7000112.8S406S406-D409 WeakPolarHBondContact CB-OD2 3.43Å; S406-D409 PolarHBondContact N-OD2 3.34Å; S406-D409 PolarHBondContact O-N 3.29Å; S406-D409 VanDerWaalsContact O-N 3.11Å; S406-D409 PolarHBondContact OG-N 2.78Å; S406-D409 PolarHBondContact OG-OD2 3.37Å
410L84.4Confident75Confident21 Ų2169.8 Ų69.811%0.1136%0.359CS..THydrogen-bonded Turntrans-91.7-12.6-178-68.5159.5000113.2R405 D408 L413 R414R405-L410 HydrophobicContact CB-CD1 4.07Å; R405-L410 HydrophobicContact CB-CD2 4.36Å; R405-L410 HydrophobicContact CB-CG 4.12Å; D408-L410 PolarHBondContact O-N 3.45Å; L410-L413 HydrophobicContact CD2-CD2 4.47Å; L410-L413 PolarHBondContact O-N 2.59Å; L410-R414 PolarHBondContact O-N 3.05Å
411Q90.9Very high78.2Confident18 Ų1867 Ų678%0.08434%0.34CS..Hα-helixtrans-62.2-40.4179.8-62-57.7-60.900113.4T375 S378 S407 D408 L413 R414 Q415T375-Q411 HydrophobicContact CG2-CG 4.45Å; S378-Q411 PolarHBondContact OG-NE2 2.92Å; S407-Q411 PolarHBondContact O-NE2 3.11Å; S407-Q411 VanDerWaalsContact O-NE2 3.12Å; D408-Q411 PolarHBondContact O-N 3.46Å; Q411-L413 VanDerWaalsContact C-N 3.3Å; Q411-L413 PolarHBondContact O-N 3.43Å; Q411-R414 PolarHBondContact O-N 3.46Å; Q411-Q415 WeakPolarHBondContact O-CB 3.15Å; Q411-Q415 PolarHBondContact O-N 3.39Å
412P93.4Very high81.2Confident83 Ų8358.7 Ų58.754%0.53930%0.304SS..Hα-helixtrans-60.6-38.5173.9-24.635.4000112.7Q415 S416P412-Q415 PolarHBondContact O-N 3.4Å; P412-S416 WeakPolarHBondContact O-CB 3.18Å; P412-S416 PolarHBondContact O-N 3.21Å
413L92.9Very high84Confident72 Ų7258.5 Ų58.538%0.37730%0.304SS..Hα-helixtrans-68.3-44.6177.5-178.362.1000111.4L410 Q411 Q415 S416 R417L410-L413 HydrophobicContact CD2-CD2 4.47Å; L410-L413 PolarHBondContact O-N 2.59Å; Q411-L413 VanDerWaalsContact C-N 3.3Å; Q411-L413 PolarHBondContact O-N 3.43Å; L413-Q415 VanDerWaalsContact C-N 3.33Å; L413-Q415 PolarHBondContact O-N 2.69Å; L413-S416 PolarHBondContact O-N 3.02Å; L413-R417 WeakPolarHBondContact O-CG 3.49Å; L413-R417 PolarHBondContact O-N 2.97Å
414R95.1Very high86.6Confident3 Ų355.5 Ų55.51%0.01129%0.288CS..Hα-helixtrans-55.7-48.1173.7179.4-162.7-178.9-92.77.9111.4L318 A321 D322 A372 C374 L377 L410 Q411 R417 L418L318-R414 VanDerWaalsContact CD2-NH2 3.29Å; A321-R414 HydrophobicContact CB-CG 3.8Å; D322-R414 WeakPolarHBondContact OD1-CD 3.31Å; D322-R414 IonicContact OD1-NE 2.74Å; D322-R414 PolarHBondContact OD1-NE 2.93Å; A372-R414 PolarHBondContact O-NH1 3.44Å; A372-R414 VanDerWaalsContact O-NH1 3.16Å; C374-R414 PolarHBondContact O-NH1 3.48Å; C374-R414 PolarHBondContact O-NH2 3.01Å; L377-R414 PolarHBondContact O-NH2 2.93Å; L410-R414 PolarHBondContact O-N 3.05Å; Q411-R414 PolarHBondContact O-N 3.46Å; R414-R417 PolarHBondContact O-N 3.41Å; R414-L418 HydrophobicContact CG-CD1 4.34Å; R414-L418 PolarHBondContact O-N 3.49Å
415Q96.8Very high88.9Confident62 Ų6250.7 Ų50.729%0.2926%0.263SS..Hα-helixtrans-60.8-49.5178-177.9-178.2-16.500110.5A372 K373 Q411 P412 L413 R417 L418 E419A372-Q415 HydrophobicContact CB-CG 3.99Å; K373-Q415 HydrophobicContact CG-CG 4.38Å; Q411-Q415 WeakPolarHBondContact O-CB 3.15Å; Q411-Q415 PolarHBondContact O-N 3.39Å; P412-Q415 PolarHBondContact O-N 3.4Å; L413-Q415 VanDerWaalsContact C-N 3.33Å; L413-Q415 PolarHBondContact O-N 2.69Å; Q415-R417 VanDerWaalsContact C-N 3.32Å; Q415-R417 PolarHBondContact O-N 2.97Å; Q415-L418 PolarHBondContact O-N 3.22Å; Q415-E419 HydrophobicContact CG-CG 4.29Å; Q415-E419 WeakPolarHBondContact CG-OE1 3.25Å; Q415-E419 PolarHBondContact NE2-OE1 3.15Å; Q415-E419 WeakPolarHBondContact O-CB 3.5Å; Q415-E419 WeakPolarHBondContact O-CG 3.13Å; Q415-E419 PolarHBondContact O-N 2.66Å
416S96.8Very high91Very high60 Ų6045.4 Ų45.442%0.4224%0.244SC..Hα-helixtrans-56.6-44.3178.1-172.60000112.2P412 L413 L418 E419 E420P412-S416 WeakPolarHBondContact O-CB 3.18Å; P412-S416 PolarHBondContact O-N 3.21Å; L413-S416 PolarHBondContact O-N 3.02Å; S416-L418 PolarHBondContact O-N 2.86Å; S416-E419 PolarHBondContact O-N 2.89Å; S416-E420 WeakPolarHBondContact O-CB 3.31Å; S416-E420 PolarHBondContact O-N 3.17Å
417R97.2Very high92.8Very high43 Ų4347.6 Ų47.616%0.16225%0.249CC..Hα-helixtrans-60-45.3178.5-78.2179.2175.7178.8-0.9112.1W320 D323 L413 R414 Q415 L421W320-R417 HydrophobicContact CH2-CB 3.71Å; W320-R417 HydrophobicContact CH2-CG 4.16Å; W320-R417 HydrophobicContact CZ2-CB 4.35Å; W320-R417 HydrophobicContact CZ2-CG 4.33Å; W320-R417 HydrophobicContact CZ3-CB 3.82Å; W320-R417 PolarHBondContact O-NH1 3.44Å; D323-R417 IonicContact OD1-CZ 3.26Å; D323-R417 IonicContact OD1-NH1 3.71Å; D323-R417 PolarHBondContact OD1-NH1 3.08Å; D323-R417 IonicContact OD1-NH2 3.66Å; D323-R417 PolarHBondContact OD1-NH2 2.93Å; L413-R417 WeakPolarHBondContact O-CG 3.49Å; L413-R417 PolarHBondContact O-N 2.97Å; R414-R417 PolarHBondContact O-N 3.41Å; Q415-R417 VanDerWaalsContact C-N 3.32Å; Q415-R417 PolarHBondContact O-N 2.97Å; R417-L421 VanDerWaalsContact O-CB 3.3Å; R417-L421 WeakPolarHBondContact O-CB 3.44Å; R417-L421 PolarHBondContact O-N 2.85Å
418L98.3Very high94.3Very high0 Ų047.5 Ų47.50%025%0.247CC..Hα-helixtrans-71.8-40.4-179.8-67.9169.8000112.2C317 L318 A321 I368 M371 A372 R414 Q415 S416 L421 S422C317-L418 HydrophobicContact CB-CD2 4.3Å; L318-L418 HydrophobicContact CD2-CD1 4.12Å; A321-L418 HydrophobicContact CB-CD1 3.8Å; A321-L418 HydrophobicContact CB-CD2 3.6Å; A321-L418 HydrophobicContact CB-CG 3.47Å; A321-L418 VanDerWaalsContact CB-CG 3.47Å; I368-L418 HydrophobicContact CG2-CB 4.32Å; I368-L418 HydrophobicContact CG2-CD2 4.01Å; M371-L418 HydrophobicContact CE-CD2 4.49Å; A372-L418 HydrophobicContact CB-CB 3.66Å; A372-L418 HydrophobicContact CB-CD1 4.41Å; R414-L418 HydrophobicContact CG-CD1 4.34Å; R414-L418 PolarHBondContact O-N 3.49Å; Q415-L418 PolarHBondContact O-N 3.22Å; S416-L418 PolarHBondContact O-N 2.86Å; L418-L421 PolarHBondContact O-N 3.37Å; L418-S422 WeakPolarHBondContact O-CB 3.36Å; L418-S422 PolarHBondContact O-N 3.4Å
419E98.3Very high95.4Very high63 Ų6343.1 Ų43.129%0.29422%0.224SC..Hα-helixtrans-63.1-45.8175.2-73.6177.4174.200111A372 Q415 S416 S422 N423A372-E419 HydrophobicContact CB-CG 3.64Å; Q415-E419 HydrophobicContact CG-CG 4.29Å; Q415-E419 WeakPolarHBondContact CG-OE1 3.25Å; Q415-E419 PolarHBondContact NE2-OE1 3.15Å; Q415-E419 WeakPolarHBondContact O-CB 3.5Å; Q415-E419 WeakPolarHBondContact O-CG 3.13Å; Q415-E419 PolarHBondContact O-N 2.66Å; S416-E419 PolarHBondContact O-N 2.89Å; E419-S422 PolarHBondContact O-N 2.99Å; E419-N423 WeakPolarHBondContact O-CB 3.49Å; E419-N423 PolarHBondContact O-N 3.5Å; E419-N423 PolarHBondContact O-ND2 3.09Å
420E98.2Very high96.4Very high89 Ų8942.1 Ų42.142%0.41622%0.218SC..Hα-helixtrans-63-44.3177.3-171.2176.9170.200112P331 S416 S422 N423 L424P331-E420 HydrophobicContact CB-CB 4.39Å; P331-E420 HydrophobicContact CB-CG 3.95Å; P331-E420 HydrophobicContact CG-CB 4.38Å; P331-E420 HydrophobicContact CG-CG 4.05Å; S416-E420 WeakPolarHBondContact O-CB 3.31Å; S416-E420 PolarHBondContact O-N 3.17Å; E420-S422 VanDerWaalsContact C-N 3.34Å; E420-S422 PolarHBondContact O-N 3.05Å; E420-N423 PolarHBondContact O-N 3.02Å; E420-L424 HydrophobicContact CG-CD1 4.27Å; E420-L424 WeakPolarHBondContact O-CB 3.17Å; E420-L424 WeakPolarHBondContact O-CG 3.32Å; E420-L424 PolarHBondContact O-N 3.1Å
421L98.5Very high96.9Very high0 Ų045.4 Ų45.40%023%0.233CC..Hα-helixtrans-57.7-46.1175.5178.264.4000112C317 W320 P331 M334 L335 I368 R417 L418 F425C317-L421 HydrophobicContact CB-CD2 4.2Å; C317-L421 VanDerWaalsContact SG-CD2 3.59Å; W320-L421 HydrophobicContact CE3-CD2 4.38Å; W320-L421 HydrophobicContact CH2-CB 4.39Å; W320-L421 HydrophobicContact CZ3-CB 4.11Å; W320-L421 HydrophobicContact CZ3-CD2 3.93Å; P331-L421 WeakPolarHBondContact O-CD1 3.43Å; M334-L421 HydrophobicContact CB-CD1 4.32Å; M334-L421 HydrophobicContact CG-CD1 4.43Å; M334-L421 HydrophobicContact CG-CD2 4.37Å; L335-L421 HydrophobicContact CB-CD1 3.71Å; L335-L421 HydrophobicContact CD1-CD1 4.26Å; I368-L421 HydrophobicContact CD1-CD2 4.38Å; I368-L421 HydrophobicContact CG2-CD2 4.1Å; I368-L421 HydrophobicContact CG2-CG 4.45Å; R417-L421 VanDerWaalsContact O-CB 3.3Å; R417-L421 WeakPolarHBondContact O-CB 3.44Å; R417-L421 PolarHBondContact O-N 2.85Å; L418-L421 PolarHBondContact O-N 3.37Å; L421-F425 PolarHBondContact O-N 3.12Å; L421-F425 VanDerWaalsContact O-N 3.16Å
422S98.6Very high97.2Very high7 Ų744.7 Ų44.75%0.04923%0.23CC..Hα-helixtrans-63.3-45175.7174.90000111.5F365 L418 E419 E420 F425 F426F365-S422 PolarHBondContact O-OG 3.49Å; F365-S422 VanDerWaalsContact O-OG 3.14Å; L418-S422 WeakPolarHBondContact O-CB 3.36Å; L418-S422 PolarHBondContact O-N 3.4Å; E419-S422 PolarHBondContact O-N 2.99Å; E420-S422 VanDerWaalsContact C-N 3.34Å; E420-S422 PolarHBondContact O-N 3.05Å; S422-F425 WeakPolarHBondContact O-CB 3.4Å; S422-F425 PolarHBondContact O-N 3.21Å; S422-F426 WeakPolarHBondContact O-CD2 3.39Å; S422-F426 PolarHBondContact O-N 2.8Å
423N98.6Very high97.2Very high108 Ų10842.5 Ų42.558%0.57821%0.213SC*.Hα-helixtrans-63.1-43.7-179.3-71.6-23.3000112E419 E420 F425 F426 E427E419-N423 WeakPolarHBondContact O-CB 3.49Å; E419-N423 PolarHBondContact O-N 3.5Å; E419-N423 PolarHBondContact O-ND2 3.09Å; E420-N423 PolarHBondContact O-N 3.02Å; N423-F425 VanDerWaalsContact C-N 3.35Å; N423-F425 PolarHBondContact O-N 3.04Å; N423-F426 PolarHBondContact O-N 2.68Å; N423-E427 WeakPolarHBondContact O-CB 3.36Å; N423-E427 PolarHBondContact O-N 2.85Å
424L98.5Very high97.3Very high28 Ų2845.7 Ų45.715%0.14722%0.224CC..Hα-helixtrans-60.2-44.1175.1-74.3170.9000111.5P331 I332 L335 E420 F426 E427 F428P331-L424 HydrophobicContact CB-CD1 3.73Å; I332-L424 HydrophobicContact CB-CD1 4.16Å; L335-L424 HydrophobicContact CD2-CB 3.73Å; E420-L424 HydrophobicContact CG-CD1 4.27Å; E420-L424 WeakPolarHBondContact O-CB 3.17Å; E420-L424 WeakPolarHBondContact O-CG 3.32Å; E420-L424 PolarHBondContact O-N 3.1Å; L424-F426 PolarHBondContact O-N 3.37Å; L424-E427 PolarHBondContact O-N 3.41Å; L424-F428 HydrophobicContact CB-CE2 4.18Å; L424-F428 HydrophobicContact CD2-CE2 4.18Å; L424-F428 HydrophobicContact CD2-CZ 3.88Å; L424-F428 WeakPolarHBondContact O-CD2 2.86Å; L424-F428 WeakPolarHBondContact O-CG 3.42Å; L424-F428 PolarHBondContact O-N 3.49Å; L424-F428 VanDerWaalsContact O-N 3.14Å
425F98.7Very high97.2Very high2 Ų251.2 Ų51.21%0.00925%0.245CC..Hα-helixtrans-56.3-50.5174.5171-94.9000111.1L335 L339 L361 R362 F365 L421 S422 N423 E427 F428 W429L335-F425 HydrophobicContact CD1-CB 3.85Å; L335-F425 HydrophobicContact CD1-CD2 4.22Å; L335-F425 HydrophobicContact CD2-CB 4.46Å; L339-F425 HydrophobicContact CD2-CD2 4.24Å; L339-F425 HydrophobicContact CD2-CE2 4.14Å; L361-F425 HydrophobicContact CG-CE2 4.36Å; L361-F425 HydrophobicContact CG-CZ 4.47Å; R362-F425 HydrophobicContact CG-CE1 4.33Å; F365-F425 HydrophobicContact CB-CB 3.98Å; F365-F425 HydrophobicContact CB-CD1 3.23Å; F365-F425 HydrophobicContact CB-CD2 4.04Å; F365-F425 HydrophobicContact CB-CE1 3.64Å; F365-F425 HydrophobicContact CB-CE2 4.37Å; F365-F425 HydrophobicContact CB-CG 3.46Å; F365-F425 VanDerWaalsContact CB-CG 3.46Å; F365-F425 HydrophobicContact CB-CZ 4.19Å; F365-F425 HydrophobicContact CD1-CB 3.55Å; F365-F425 HydrophobicContact CD1-CD1 4.37Å; F365-F425 AromaticContact CD1-CD2 3.93Å; F365-F425 HydrophobicContact CD1-CD2 3.93Å; F365-F425 AromaticContact CD1-CG 3.68Å; F365-F425 HydrophobicContact CD1-CG 3.68Å; F365-F425 HydrophobicContact CD2-CD1 4.23Å; F365-F425 AromaticContact CD2-CD2 3.47Å; F365-F425 HydrophobicContact CD2-CD2 3.47Å; F365-F425 VanDerWaalsContact CD2-CD2 3.47Å; F365-F425 HydrophobicContact CD2-CE1 4.3Å; F365-F425 AromaticContact CD2-CE2 3.55Å; F365-F425 HydrophobicContact CD2-CE2 3.55Å; F365-F425 AromaticContact CD2-CG 3.83Å; F365-F425 HydrophobicContact CD2-CG 3.83Å; F365-F425 AromaticContact CD2-CZ 3.98Å; F365-F425 HydrophobicContact CD2-CZ 3.98Å; F365-F425 HydrophobicContact CE1-CB 4.18Å; F365-F425 HydrophobicContact CE1-CD2 4.26Å; F365-F425 HydrophobicContact CE1-CG 4.38Å; F365-F425 AromaticContact CE2-CD2 3.84Å; F365-F425 HydrophobicContact CE2-CD2 3.84Å; F365-F425 HydrophobicContact CE2-CE2 4.01Å; F365-F425 HydrophobicContact CG-CB 3.79Å; F365-F425 AromaticContact CG-CD1 3.71Å; F365-F425 HydrophobicContact CG-CD1 3.71Å; F365-F425 AromaticContact CG-CD2 3.52Å; F365-F425 HydrophobicContact CG-CD2 3.52Å; F365-F425 HydrophobicContact CG-CE1 4.16Å; F365-F425 AromaticContact CG-CE2 4Å; F365-F425 HydrophobicContact CG-CE2 4Å; F365-F425 AromaticContact CG-CG 3.36Å; F365-F425 HydrophobicContact CG-CG 3.36Å; F365-F425 HydrophobicContact CG-CZ 4.29Å; F365-F425 HydrophobicContact CZ-CD2 4.21Å; L421-F425 PolarHBondContact O-N 3.12Å; L421-F425 VanDerWaalsContact O-N 3.16Å; S422-F425 WeakPolarHBondContact O-CB 3.4Å; S422-F425 PolarHBondContact O-N 3.21Å; N423-F425 VanDerWaalsContact C-N 3.35Å; N423-F425 PolarHBondContact O-N 3.04Å; F425-E427 PolarHBondContact O-N 3.23Å; F425-F428 PolarHBondContact O-N 2.96Å; F425-W429 HydrophobicContact CD1-CB 4.41Å; F425-W429 HydrophobicContact CE1-CB 4.08Å; F425-W429 HydrophobicContact CE1-CD2 4.23Å; F425-W429 HydrophobicContact CE1-CE3 4.37Å; F425-W429 HydrophobicContact CE1-CG 4.1Å; F425-W429 HydrophobicContact CE2-CD2 4.44Å; F425-W429 AromaticContact CE2-CE3 3.82Å; F425-W429 HydrophobicContact CE2-CE3 3.82Å; F425-W429 HydrophobicContact CZ-CB 4.14Å; F425-W429 AromaticContact CZ-CD2 3.74Å; F425-W429 HydrophobicContact CZ-CD2 3.74Å; F425-W429 AromaticContact CZ-CE3 3.46Å; F425-W429 HydrophobicContact CZ-CE3 3.46Å; F425-W429 VanDerWaalsContact CZ-CE3 3.46Å; F425-W429 HydrophobicContact CZ-CG 4.04Å; F425-W429 HydrophobicContact CZ-CZ3 4.17Å; F425-W429 WeakPolarHBondContact O-CB 3.34Å; F425-W429 PolarHBondContact O-N 3.36Å
426F98.5Very high97Very high30 Ų3051 Ų5113%0.13224%0.241CC..Hα-helixtrans-69.8-30.8-177.8-76.9-66.2000113.5R362 Q366 S422 N423 L424 N430R362-F426 HydrophobicContact CG-CE1 3.87Å; R362-F426 HydrophobicContact CG-CZ 4.38Å; Q366-F426 HydrophobicContact CB-CE2 4.23Å; Q366-F426 HydrophobicContact CB-CZ 3.8Å; Q366-F426 HydrophobicContact CG-CZ 4.28Å; S422-F426 WeakPolarHBondContact O-CD2 3.39Å; S422-F426 PolarHBondContact O-N 2.8Å; N423-F426 PolarHBondContact O-N 2.68Å; L424-F426 PolarHBondContact O-N 3.37Å; F426-N430 WeakPolarHBondContact O-CB 3.5Å; F426-N430 PolarHBondContact O-N 2.87Å; F426-N430 PolarHBondContact O-ND2 3.32Å
427E98.2Very high96.7Very high94 Ų9453.6 Ų53.644%0.43925%0.247SC..Hα-helixtrans-57.3-57.4171.4-174.7-169.7148.300110K6 N423 L424 F425 E431K6-E427 IonicContact NZ-OE1 2.77Å; K6-E427 PolarHBondContact NZ-OE1 3.02Å; N423-E427 WeakPolarHBondContact O-CB 3.36Å; N423-E427 PolarHBondContact O-N 2.85Å; L424-E427 PolarHBondContact O-N 3.41Å; F425-E427 PolarHBondContact O-N 3.23Å; E427-E431 WeakPolarHBondContact O-CB 3.41Å; E427-E431 PolarHBondContact O-N 3.05Å; E427-E431 VanDerWaalsContact O-N 3.07Å
428F98.1Very high96.4Very high4 Ų455.1 Ų55.12%0.01826%0.261CS..Hα-helixtrans-71.6-37.3-175.4-53-33.7000112.3K6 V9 V10 I332 L335 L424 F425 E431 E432K6-F428 HydrophobicContact CB-CE1 4.27Å; K6-F428 HydrophobicContact CB-CZ 4.31Å; K6-F428 HydrophobicContact CD-CD1 4.26Å; K6-F428 HydrophobicContact CD-CE1 3.6Å; K6-F428 HydrophobicContact CD-CZ 4.42Å; K6-F428 HydrophobicContact CG-CD1 4.1Å; K6-F428 HydrophobicContact CG-CE1 3.5Å; K6-F428 HydrophobicContact CG-CZ 4.01Å; V9-F428 HydrophobicContact CB-CD2 3.88Å; V9-F428 HydrophobicContact CB-CE2 4Å; V9-F428 HydrophobicContact CG1-CD2 3.4Å; V9-F428 VanDerWaalsContact CG1-CD2 3.4Å; V9-F428 HydrophobicContact CG1-CE2 3.91Å; V9-F428 HydrophobicContact CG1-CG 4.27Å; V9-F428 HydrophobicContact CG2-CE2 4.24Å; V10-F428 HydrophobicContact CG2-CB 4.31Å; V10-F428 HydrophobicContact CG2-CD1 4.21Å; V10-F428 HydrophobicContact CG2-CG 4.34Å; I332-F428 HydrophobicContact CD1-CE2 4.33Å; I332-F428 HydrophobicContact CD1-CZ 4.22Å; I332-F428 HydrophobicContact CG1-CE2 4.41Å; L335-F428 HydrophobicContact CD2-CD2 3.72Å; L335-F428 HydrophobicContact CD2-CE2 3.83Å; L424-F428 HydrophobicContact CB-CE2 4.18Å; L424-F428 HydrophobicContact CD2-CE2 4.18Å; L424-F428 HydrophobicContact CD2-CZ 3.88Å; L424-F428 WeakPolarHBondContact O-CD2 2.86Å; L424-F428 WeakPolarHBondContact O-CG 3.42Å; L424-F428 PolarHBondContact O-N 3.49Å; L424-F428 VanDerWaalsContact O-N 3.14Å; F425-F428 PolarHBondContact O-N 2.96Å; F428-E431 PolarHBondContact O-N 3.5Å; F428-E432 WeakPolarHBondContact O-CB 3.31Å; F428-E432 PolarHBondContact O-N 3.43Å
429W97.8Very high95.8Very high8 Ų859.4 Ų59.43%0.0328%0.281CS..Hα-helixtrans-59.4-51175-179.4-87.8000111.8L13 L17 L350 M354 L361 F425 E431 E432 I433L13-W429 HydrophobicContact CD1-CE3 3.86Å; L13-W429 HydrophobicContact CD1-CZ3 4.01Å; L13-W429 HydrophobicContact CD2-CB 4.26Å; L13-W429 HydrophobicContact CD2-CE3 4.02Å; L13-W429 HydrophobicContact CG-CE3 4.44Å; L17-W429 HydrophobicContact CD2-CH2 4.15Å; L17-W429 HydrophobicContact CD2-CZ3 4.35Å; L350-W429 HydrophobicContact CD1-CH2 4.19Å; L350-W429 HydrophobicContact CD1-CZ3 4.43Å; L350-W429 HydrophobicContact CD2-CZ3 4.22Å; M354-W429 HydrophobicContact CE-CH2 4.22Å; M354-W429 HydrophobicContact CE-CZ2 3.89Å; M354-W429 HydrophobicContact SD-CH2 3.74Å; M354-W429 HydrophobicContact SD-CZ2 3.83Å; L361-W429 HydrophobicContact CD2-CZ3 4.04Å; F425-W429 HydrophobicContact CD1-CB 4.41Å; F425-W429 HydrophobicContact CE1-CB 4.08Å; F425-W429 HydrophobicContact CE1-CD2 4.23Å; F425-W429 HydrophobicContact CE1-CE3 4.37Å; F425-W429 HydrophobicContact CE1-CG 4.1Å; F425-W429 HydrophobicContact CE2-CD2 4.44Å; F425-W429 AromaticContact CE2-CE3 3.82Å; F425-W429 HydrophobicContact CE2-CE3 3.82Å; F425-W429 HydrophobicContact CZ-CB 4.14Å; F425-W429 AromaticContact CZ-CD2 3.74Å; F425-W429 HydrophobicContact CZ-CD2 3.74Å; F425-W429 AromaticContact CZ-CE3 3.46Å; F425-W429 HydrophobicContact CZ-CE3 3.46Å; F425-W429 VanDerWaalsContact CZ-CE3 3.46Å; F425-W429 HydrophobicContact CZ-CG 4.04Å; F425-W429 HydrophobicContact CZ-CZ3 4.17Å; F425-W429 WeakPolarHBondContact O-CB 3.34Å; F425-W429 PolarHBondContact O-N 3.36Å; W429-E431 VanDerWaalsContact C-N 3.34Å; W429-E431 PolarHBondContact O-N 3.11Å; W429-E432 PolarHBondContact O-N 2.9Å; W429-I433 HydrophobicContact CD2-CG1 4.42Å; W429-I433 HydrophobicContact CG-CG1 4.46Å; W429-I433 HydrophobicContact CZ2-CD1 4.13Å; W429-I433 HydrophobicContact CZ2-CG1 4.35Å; W429-I433 VanDerWaalsContact O-CG1 3.28Å; W429-I433 WeakPolarHBondContact O-CG1 3.33Å; W429-I433 PolarHBondContact O-N 3.32Å
430N96.7Very high95.1Very high89 Ų8959.8 Ų59.848%0.47629%0.29SS..Hα-helixtrans-68.3-36.5-178-67.4-29.9000111.8F426 E432 K434F426-N430 WeakPolarHBondContact O-CB 3.5Å; F426-N430 PolarHBondContact O-N 2.87Å; F426-N430 PolarHBondContact O-ND2 3.32Å; N430-E432 VanDerWaalsContact C-N 3.35Å; N430-K434 WeakPolarHBondContact O-CB 3.46Å; N430-K434 PolarHBondContact O-N 3.15Å
431E95.3Very high94.4Very high91 Ų9159.1 Ų59.143%0.42529%0.292SS..Hα-helixtrans-58-48.4173.6-174.5175.4161.500111.1K6 E427 F428 W429 K434 R435K6-E431 WeakPolarHBondContact CE-OE2 3.37Å; K6-E431 IonicContact NZ-OE2 2.95Å; K6-E431 PolarHBondContact NZ-OE2 3.13Å; E427-E431 WeakPolarHBondContact O-CB 3.41Å; E427-E431 PolarHBondContact O-N 3.05Å; E427-E431 VanDerWaalsContact O-N 3.07Å; F428-E431 PolarHBondContact O-N 3.5Å; W429-E431 VanDerWaalsContact C-N 3.34Å; W429-E431 PolarHBondContact O-N 3.11Å; E431-K434 PolarHBondContact O-N 3.3Å; E431-R435 WeakPolarHBondContact O-CB 3.38Å; E431-R435 PolarHBondContact O-N 3.04Å
432E95.5Very high93.6Very high2 Ų263.6 Ų63.61%0.00932%0.315CS..Hα-helixtrans-71.8-40.3-176.6-177.655.3-159.600113L13 S14 L17 F428 W429 N430 R435 R436L13-E432 HydrophobicContact CD2-CB 4.16Å; L13-E432 HydrophobicContact CD2-CG 4.46Å; S14-E432 WeakPolarHBondContact CB-OE1 3.48Å; S14-E432 PolarHBondContact OG-OE1 3.5Å; L17-E432 HydrophobicContact CD1-CB 4.46Å; L17-E432 HydrophobicContact CD1-CG 3.48Å; L17-E432 VanDerWaalsContact CD1-CG 3.48Å; F428-E432 WeakPolarHBondContact O-CB 3.31Å; F428-E432 PolarHBondContact O-N 3.43Å; W429-E432 PolarHBondContact O-N 2.9Å; N430-E432 VanDerWaalsContact C-N 3.35Å; E432-R435 PolarHBondContact O-N 3.26Å; E432-R435 IonicContact OE1-CZ 3.37Å; E432-R435 IonicContact OE1-NE 3.66Å; E432-R435 IonicContact OE1-NH2 2.69Å; E432-R435 PolarHBondContact OE1-NH2 3.19Å; E432-R435 IonicContact OE2-CZ 3.54Å; E432-R435 IonicContact OE2-NE 3.54Å; E432-R435 PolarHBondContact OE2-NE 3.24Å; E432-R435 IonicContact OE2-NH2 3.6Å; E432-R435 PolarHBondContact OE2-NH2 3.16Å; E432-R436 VanDerWaalsContact O-CG 3.31Å; E432-R436 WeakPolarHBondContact O-CG 3.41Å; E432-R436 PolarHBondContact O-N 3Å; E432-R436 VanDerWaalsContact O-N 3.09Å; E432-R436 IonicContact OE1-CZ 3.62Å; E432-R436 VanDerWaalsContact OE1-CZ 3.22Å; E432-R436 IonicContact OE1-NE 2.71Å; E432-R436 PolarHBondContact OE1-NE 3.24Å; E432-R436 IonicContact OE1-NH2 3.75Å; E432-R436 PolarHBondContact OE1-NH2 3.33Å
433I95.1Very high92.7Very high37 Ų3768.6 Ų68.619%0.1934%0.342CS..Hα-helixtrans-61.9-46.7173.7-66.4-60.5000110.6L17 M354 W429 R435 R436 E437L17-I433 HydrophobicContact CD1-CD1 4.45Å; M354-I433 HydrophobicContact CE-CD1 3.9Å; W429-I433 HydrophobicContact CD2-CG1 4.42Å; W429-I433 HydrophobicContact CG-CG1 4.46Å; W429-I433 HydrophobicContact CZ2-CD1 4.13Å; W429-I433 HydrophobicContact CZ2-CG1 4.35Å; W429-I433 VanDerWaalsContact O-CG1 3.28Å; W429-I433 WeakPolarHBondContact O-CG1 3.33Å; W429-I433 PolarHBondContact O-N 3.32Å; I433-R435 VanDerWaalsContact C-N 3.33Å; I433-R435 PolarHBondContact O-N 2.96Å; I433-R436 WeakPolarHBondContact O-CB 3.43Å; I433-R436 PolarHBondContact O-N 3.47Å; I433-R436 VanDerWaalsContact O-N 3.15Å; I433-E437 WeakPolarHBondContact O-CG 3.29Å; I433-E437 PolarHBondContact O-N 3.09Å
434K94.6Very high91.6Very high140 Ų14067.9 Ų67.961%0.60935%0.345SS*.Hα-helixtrans-61.9-40.7178-174.6178.8-179.8-178.40111.9N430 E431 R436 E437 V438N430-K434 WeakPolarHBondContact O-CB 3.46Å; N430-K434 PolarHBondContact O-N 3.15Å; E431-K434 PolarHBondContact O-N 3.3Å; K434-R436 VanDerWaalsContact C-N 3.28Å; K434-R436 PolarHBondContact O-N 3.5Å; K434-E437 PolarHBondContact O-N 3.02Å; K434-V438 WeakPolarHBondContact O-CG2 3.15Å; K434-V438 PolarHBondContact O-N 3.37Å
435R93.5Very high90.3Very high118 Ų11871.4 Ų71.445%0.44536%0.363SS..Hα-helixtrans-57.8-42.6175.4-170.7-173.570.683.7-3.9111.3S14 E431 E432 I433 V438 Q439S14-R435 PolarHBondContact OG-NH2 3.3Å; E431-R435 WeakPolarHBondContact O-CB 3.38Å; E431-R435 PolarHBondContact O-N 3.04Å; E432-R435 PolarHBondContact O-N 3.26Å; E432-R435 IonicContact OE1-CZ 3.37Å; E432-R435 IonicContact OE1-NE 3.66Å; E432-R435 IonicContact OE1-NH2 2.69Å; E432-R435 PolarHBondContact OE1-NH2 3.19Å; E432-R435 IonicContact OE2-CZ 3.54Å; E432-R435 IonicContact OE2-NE 3.54Å; E432-R435 PolarHBondContact OE2-NE 3.24Å; E432-R435 IonicContact OE2-NH2 3.6Å; E432-R435 PolarHBondContact OE2-NH2 3.16Å; I433-R435 VanDerWaalsContact C-N 3.33Å; I433-R435 PolarHBondContact O-N 2.96Å; R435-V438 PolarHBondContact O-N 2.65Å; R435-Q439 PolarHBondContact O-N 3.43Å
436R92.1Very high88.1Confident59 Ų5973.4 Ų73.422%0.22338%0.384CS..Hα-helixtrans-69.1-40.5178.5-69.8170.3-179.6-87.9-16.9112.8S14 D18 E432 I433 K434 V438 Q439 S440S14-R436 PolarHBondContact O-NH2 3.2Å; S14-R436 PolarHBondContact OG-NH2 3.08Å; S14-R436 VanDerWaalsContact OG-NH2 3.09Å; D18-R436 IonicContact OD1-CZ 3.04Å; D18-R436 VanDerWaalsContact OD1-CZ 3.27Å; D18-R436 IonicContact OD1-NH1 3.87Å; D18-R436 PolarHBondContact OD1-NH1 3.48Å; D18-R436 IonicContact OD1-NH2 3.96Å; D18-R436 PolarHBondContact OD1-NH2 2.78Å; D18-R436 IonicContact OD2-NH2 3.51Å; D18-R436 PolarHBondContact OD2-NH2 3.16Å; E432-R436 VanDerWaalsContact O-CG 3.31Å; E432-R436 WeakPolarHBondContact O-CG 3.41Å; E432-R436 PolarHBondContact O-N 3Å; E432-R436 VanDerWaalsContact O-N 3.09Å; E432-R436 IonicContact OE1-CZ 3.62Å; E432-R436 VanDerWaalsContact OE1-CZ 3.22Å; E432-R436 IonicContact OE1-NE 2.71Å; E432-R436 PolarHBondContact OE1-NE 3.24Å; E432-R436 IonicContact OE1-NH2 3.75Å; E432-R436 PolarHBondContact OE1-NH2 3.33Å; I433-R436 WeakPolarHBondContact O-CB 3.43Å; I433-R436 PolarHBondContact O-N 3.47Å; I433-R436 VanDerWaalsContact O-N 3.15Å; K434-R436 VanDerWaalsContact C-N 3.28Å; K434-R436 PolarHBondContact O-N 3.5Å; R436-V438 VanDerWaalsContact C-N 3.35Å; R436-V438 PolarHBondContact O-N 2.88Å; R436-Q439 PolarHBondContact O-N 2.98Å; R436-S440 WeakPolarHBondContact O-CB 3.26Å; R436-S440 PolarHBondContact O-N 3.18Å
437E90.5Very high85.8Confident114 Ų11478 Ų7853%0.53342%0.417SS..Hα-helixtrans-59.6-45.7174.2-71.9174.5170.600111.4I433 K434 S440 T441I433-E437 WeakPolarHBondContact O-CG 3.29Å; I433-E437 PolarHBondContact O-N 3.09Å; K434-E437 PolarHBondContact O-N 3.02Å; E437-S440 PolarHBondContact O-N 2.91Å; E437-S440 PolarHBondContact O-OG 2.76Å; E437-T441 PolarHBondContact O-N 2.98Å; E437-T441 PolarHBondContact O-OG1 3.38Å
438V90.2Very high83.3Confident75 Ų7579.9 Ų79.946%0.45543%0.429SS..Hα-helixtrans-61.8-45.7175.61730000111K434 R435 R436 S440 T441 I442K434-V438 WeakPolarHBondContact O-CG2 3.15Å; K434-V438 PolarHBondContact O-N 3.37Å; R435-V438 PolarHBondContact O-N 2.65Å; R436-V438 VanDerWaalsContact C-N 3.35Å; R436-V438 PolarHBondContact O-N 2.88Å; V438-S440 VanDerWaalsContact C-N 3.34Å; V438-S440 PolarHBondContact O-N 2.93Å; V438-T441 WeakPolarHBondContact O-CB 3.27Å; V438-T441 PolarHBondContact O-N 2.74Å; V438-I442 HydrophobicContact CG1-CD1 3.85Å; V438-I442 HydrophobicContact CG1-CG1 4.46Å; V438-I442 WeakPolarHBondContact O-CG1 3.49Å; V438-I442 PolarHBondContact O-N 3.46Å
439Q85.9Confident80.6Confident89 Ų8985.1 Ų85.142%0.41646%0.461SS..Hα-helixtrans-62.6-40.1178.2-170.862.750.200112.3R435 R436 T441 I442 N443R435-Q439 PolarHBondContact O-N 3.43Å; R436-Q439 PolarHBondContact O-N 2.98Å; Q439-T441 VanDerWaalsContact C-N 3.31Å; Q439-T441 PolarHBondContact O-N 3.22Å; Q439-I442 PolarHBondContact O-N 3.28Å; Q439-N443 PolarHBondContact NE2-OD1 3.35Å; Q439-N443 WeakPolarHBondContact O-CB 3.3Å; Q439-N443 PolarHBondContact O-N 2.79Å; Q439-N443 PolarHBondContact O-ND2 2.98Å; Q439-N443 PolarHBondContact O-OD1 3.08Å
440S84.5Confident77.7Confident71 Ų7191.5 Ų91.550%0.49750%0.496SS..Hα-helixtrans-63.9-38.4176.176.80000111.8R436 E437 V438 N443 S444R436-S440 WeakPolarHBondContact O-CB 3.26Å; R436-S440 PolarHBondContact O-N 3.18Å; E437-S440 PolarHBondContact O-N 2.91Å; E437-S440 PolarHBondContact O-OG 2.76Å; V438-S440 VanDerWaalsContact C-N 3.34Å; V438-S440 PolarHBondContact O-N 2.93Å; S440-N443 PolarHBondContact O-N 3.12Å; S440-S444 WeakPolarHBondContact O-CB 3.21Å; S440-S444 PolarHBondContact O-N 3.09Å
441T83.2Confident74.6Confident75 Ų7596.3 Ų96.346%0.4652%0.515SS..Hα-helixtrans-66.2-46.3176.6-54.10000110.6E437 V438 Q439 N443 S444 I445E437-T441 PolarHBondContact O-N 2.98Å; E437-T441 PolarHBondContact O-OG1 3.38Å; V438-T441 WeakPolarHBondContact O-CB 3.27Å; V438-T441 PolarHBondContact O-N 2.74Å; Q439-T441 VanDerWaalsContact C-N 3.31Å; Q439-T441 PolarHBondContact O-N 3.22Å; T441-N443 VanDerWaalsContact C-N 3.34Å; T441-N443 PolarHBondContact O-N 2.73Å; T441-S444 PolarHBondContact O-N 2.85Å; T441-S444 VanDerWaalsContact O-N 3.17Å; T441-S444 PolarHBondContact O-OG 3.39Å; T441-I445 HydrophobicContact CG2-CD1 4.23Å; T441-I445 WeakPolarHBondContact O-CG1 3.32Å; T441-I445 PolarHBondContact O-N 3.08Å; T441-I445 VanDerWaalsContact O-N 3.15Å
442I82Confident71.6Confident94 Ų9496.2 Ų96.248%0.48253%0.525SS..Hα-helixtrans-60-44.8175.8-67167.2000110.7V438 Q439 S444 I445V438-I442 HydrophobicContact CG1-CD1 3.85Å; V438-I442 HydrophobicContact CG1-CG1 4.46Å; V438-I442 WeakPolarHBondContact O-CG1 3.49Å; V438-I442 PolarHBondContact O-N 3.46Å; Q439-I442 PolarHBondContact O-N 3.28Å; I442-S444 PolarHBondContact O-N 3.34Å; I442-I445 CarbonylContact O-C 3.56Å; I442-I445 PolarHBondContact O-N 2.94Å; I442-I445 VanDerWaalsContact O-N 3.16Å
443N78.2Confident68.6Low113 Ų113102 Ų10260%0.60456%0.56SS**Hα-helixtrans-65.9-27.7179.1-68-8.1000112.8Q439 S440 T441Q439-N443 PolarHBondContact NE2-OD1 3.35Å; Q439-N443 WeakPolarHBondContact O-CB 3.3Å; Q439-N443 PolarHBondContact O-N 2.79Å; Q439-N443 PolarHBondContact O-ND2 2.98Å; Q439-N443 PolarHBondContact O-OD1 3.08Å; S440-N443 PolarHBondContact O-N 3.12Å; T441-N443 VanDerWaalsContact C-N 3.34Å; T441-N443 PolarHBondContact O-N 2.73Å
444S75.5Confident65.6Low93 Ų93107 Ų10765%0.6559%0.592SS**Hα-helixtrans-75.7-26.5175.575.20000113.2S440 T441 I442 G446S440-S444 WeakPolarHBondContact O-CB 3.21Å; S440-S444 PolarHBondContact O-N 3.09Å; T441-S444 PolarHBondContact O-N 2.85Å; T441-S444 VanDerWaalsContact O-N 3.17Å; T441-S444 PolarHBondContact O-OG 3.39Å; I442-S444 PolarHBondContact O-N 3.34Å; S444-G446 PolarHBondContact O-N 3.36Å
445I71.8Confident62.7Low102 Ų102105.5 Ų105.552%0.52360%0.595SS.*SBendtrans-88.383.6171.5-54.9163.8000106T441 I442 I448T441-I445 HydrophobicContact CG2-CD1 4.23Å; T441-I445 WeakPolarHBondContact O-CG1 3.32Å; T441-I445 PolarHBondContact O-N 3.08Å; T441-I445 VanDerWaalsContact O-N 3.15Å; I442-I445 CarbonylContact O-C 3.56Å; I442-I445 PolarHBondContact O-N 2.94Å; I442-I445 VanDerWaalsContact O-N 3.16Å; I445-I448 HydrophobicContact CG2-CD1 4.46Å; I445-I448 HydrophobicContact CG2-CG1 4.4Å
446G52.4Low59.6Low44 Ų44106.6 Ų106.645%0.45461%0.609SS.*  trans-50.3165.417500000112.5S444 I448S444-G446 PolarHBondContact O-N 3.36Å; G446-I448 PolarHBondContact O-N 2.93Å
447P49.6Very low57Low127 Ų127113.1 Ų113.183%0.82564%0.639SS**  trans-55.8118-175.523.4-30.9000109.2T449P447-T449 VanDerWaalsContact C-N 3.3Å; P447-T449 PolarHBondContact O-N 3.16Å
448I46Very low54.1Low133 Ų133115.6 Ų115.668%0.68266%0.656SS**  trans-64.198173.9-59.8172.3000105.9I445 G446 N450I445-I448 HydrophobicContact CG2-CD1 4.46Å; I445-I448 HydrophobicContact CG2-CG1 4.4Å; G446-I448 PolarHBondContact O-N 2.93Å; I448-N450 PolarHBondContact O-N 3.37Å; I448-N450 VanDerWaalsContact O-N 3.08Å
449T42.2Very low51.4Low113 Ų113116.6 Ų116.669%0.69367%0.672SS**  trans-63.1108160.945.90000106.2P447 E451P447-T449 VanDerWaalsContact C-N 3.3Å; P447-T449 PolarHBondContact O-N 3.16Å; T449-E451 PolarHBondContact O-N 2.92Å
450N36.2Very low49Very low143 Ų143121.5 Ų121.577%0.76570%0.695SS**  trans-62.582.5167.4-81.8-23.5000109.1I448 S452I448-N450 PolarHBondContact O-N 3.37Å; I448-N450 VanDerWaalsContact O-N 3.08Å; N450-S452 PolarHBondContact O-N 3.5Å; N450-S452 VanDerWaalsContact O-N 3.12Å
451E31.9Very low46.3Very low189 Ų189125.9 Ų125.988%0.88371%0.712SS**  trans-7879.2158.9-81.1-168.9157.200108.7T449T449-E451 PolarHBondContact O-N 2.92Å
452S31.8Very low43.9Very low90 Ų90129.9 Ų129.963%0.62973%0.729SS**  trans-159.190.5158.565.40000109.1N450N450-S452 PolarHBondContact O-N 3.5Å; N450-S452 VanDerWaalsContact O-N 3.12Å
453V34.1Very low41.6Very low124 Ų124129.8 Ų129.875%0.75274%0.736SS**  -17491.9126.2-177.20000106V455V453-V455 HydrophobicContact CG1-CG2 3.44Å; V453-V455 VanDerWaalsContact CG1-CG2 3.44Å; V453-V455 PolarHBondContact O-N 3.11Å
454V31.2Very low39.4Very low141 Ų141131.2 Ų131.286%0.85574%0.744SS**  trans-79105.5158.2175.20000106.2
455V34.7Very low37.2Very low109 Ų109131.7 Ų131.766%0.66175%0.747SS**  trans-88.6113.2163.8178.50000107.8V453 K457V453-V455 HydrophobicContact CG1-CG2 3.44Å; V453-V455 VanDerWaalsContact CG1-CG2 3.44Å; V453-V455 PolarHBondContact O-N 3.11Å; V455-K457 PolarHBondContact O-N 3.48Å
456D28.4Very low35.3Very low140 Ų140136 Ų13675%0.74976%0.762SS**  trans-52.6117.9163.8-87.9-42.9000111.5
457K35.8Very low34.2Very low197 Ų197141.8 Ų141.886%0.85778%0.778SS**  trans-142.499147.8-75.9-163.7178.7174.70110.8V455V455-K457 PolarHBondContact O-N 3.48Å
458N29.9Very low33.3Very low166 Ų166144.8 Ų144.889%0.88878%0.778SS**  trans-62.6124.7157.3-83.5-42.7000110.6
459A35.1Very low32.6Very low96 Ų96142.8 Ų142.879%0.79378%0.776SS**  trans-151.298.2153.900000110.5
460Q34.7Very low31.9Very low192 Ų192143.1 Ų143.190%0.89778%0.778SS**  trans24.9107.1147.1-71.8176.4-26.100121
461L28.8Very low31.6Very low163 Ų163146.5 Ų146.585%0.85379%0.786SS**  17.1150.1119.6-76.1156.2000122.4
462I32.2Very low31.4Very low159 Ų159143.8 Ų143.882%0.81578%0.777SS**  trans103.4119.2159-55.3173.4000112.5
463S33.6Very low31.3Very low91 Ų91146.6 Ų146.664%0.63679%0.785SS**  cis-175.8161.23.450.60000111.2
464N31.4Very low31.1Very low143 Ų143148.2 Ų148.277%0.76579%0.79SS**  trans80.6100.3144.1-70.5-8.8000122.6
465S29.6Very low31Very low103 Ų103148.5 Ų148.572%0.7279%0.786SS**  54.8118118.462.60000121.2
466K32.7Very low30.8Very low192 Ų192153 Ų15384%0.83580%0.8SS**  -174.2131.2109.4-105.4174.51791770113.9
467E28.3Very low30.7Very low166 Ų166151.8 Ų151.878%0.77680%0.803SS**  trans-9.9142.2152.9-59.9170.2147.700120.6
468K32Very low30.5Very low191 Ų191147.4 Ų147.483%0.8380%0.797SS**  trans127.9140.9137.2-77.3-178.9177.2-179.30110.6
469S30Very low30.5Very low91 Ų91146 Ų14664%0.63679%0.794SS**  cis-177.5131.4-15.945.20000104.3
470T27.1Very low30.1Very low120 Ų120145 Ų14574%0.73679%0.794SS**  trans37.4106148.939.70000118.8
471F29.7Very low29.7Very low214 Ų214144.8 Ų144.894%0.93979%0.793SS**PPolyproline II helixtrans-103.1122.9143.6-110.3-90.1000107.8
472N29.7Very low29.7Very low131 Ų131145.4 Ų145.470%0.70179%0.791SS**PPolyproline II helixtrans-70.9137.6-179.9-75.5-21.3000110.8
473N28Very low29.4Very low149 Ų149144.8 Ų144.880%0.79779%0.789SS**PPolyproline II helixtrans-80.9128.4152-72.4-30000107.5
474D30.8Very low29Very low158 Ų158151.1 Ų151.185%0.84580%0.801SS**  trans-93.892.5163.2-71.8-30.1000107.8
475D29.6Very low28.6Very low147 Ų147148.6 Ų148.679%0.78680%0.8SS**  trans-99.6109.2155.6-90.2-37000106.9
476E30.5Very low28.5Very low204 Ų204152.5 Ų152.595%0.95380%0.8SS**  trans-81.7113.7159.5-91.9-169.6159.100108.6
477S25.9Very low28.2Very low114 Ų114152.3 Ų152.380%0.79779%0.794SS**  trans-113.5129.7166.159.10000109.2
478S30.6Very low28.1Very low105 Ų105152.7 Ų152.773%0.73480%0.802SS**  trans179.1136.1152.61670000107.6
479T30.7Very low27.8Very low136 Ų136147.8 Ų147.883%0.83479%0.791SS**  cis-167.3136.8-15.727.90000102.4
480G26.6Very low27.7Very low77 Ų77150.8 Ų150.879%0.79480%0.8SS**  trans172.442.6-179.600000112.9E482G480-E482 PolarHBondContact O-N 3.48Å
481H25.8Very low27.7Very low187 Ų187154.5 Ų154.587%0.86681%0.806SS**  trans-79.499.9166.6-97.8-73.2000108.7
482E30Very low27.6Very low175 Ų175149.9 Ų149.982%0.81880%0.798SS**  trans-113.7127151.9-82.7-166.1164.500109.9G480 Y484G480-E482 PolarHBondContact O-N 3.48Å; E482-Y484 PolarHBondContact O-N 3.05Å
483N25.8Very low27.5Very low146 Ų146148.2 Ų148.278%0.78180%0.796SS**  trans-65120.7-176.1-66.8-62000111.4
484Y25Very low27.6Very low225 Ų225149 Ų14988%0.88280%0.795SS**  trans-12274.6155.8-88-84.2000110E482E482-Y484 PolarHBondContact O-N 3.05Å
485A23.2Very low27.4Very low89 Ų89147.9 Ų147.974%0.73679%0.789SS**  trans-110.685.2157.800000107.4
486Y27.4Very low27.4Very low186 Ų186148.3 Ų148.373%0.72979%0.786SS**  trans-158.9120.5161.7-126.9-95.1000111.4
487R25.6Very low27.5Very low187 Ų187141.9 Ų141.971%0.70676%0.759SS**  trans49.497154.1-71.6-178.8177.9163-1.2118.2
488N26.6Very low27.7Very low175 Ų175141.1 Ų141.194%0.93675%0.753SS**  trans-121.664.9138.6-110.8-14.2000109.8N490N488-N490 PolarHBondContact O-N 2.76Å
489S25.7Very low28Very low87 Ų87141.2 Ų141.261%0.60874%0.744SS**  trans-83.592.8157.649.90000107.4
490N27.3Very low28.1Very low155 Ų155139.9 Ų139.983%0.82974%0.736SS**  trans-173.373.9154-90.2-17.7000108.7N488N488-N490 PolarHBondContact O-N 2.76Å
491K27Very low28.4Very low197 Ų197143.9 Ų143.986%0.85773%0.732SS**  trans-83.4120.4150.6-81.6-177.7175.81800106.5S493K491-S493 VanDerWaalsContact C-N 3.31Å; K491-S493 PolarHBondContact O-N 3.15Å
492P28.5Very low28.7Very low117 Ų117142.6 Ų142.676%0.7673%0.726SS**  trans-75.797.9150.318.3-3.6000106.1E494P492-E494 PolarHBondContact O-N 3.46Å
493S27.2Very low28.6Very low97 Ų97139 Ų13968%0.67872%0.721SS**  trans-67.588.9156.552.70000107.6K491 N495K491-S493 VanDerWaalsContact C-N 3.31Å; K491-S493 PolarHBondContact O-N 3.15Å; S493-N495 PolarHBondContact O-N 2.81Å
494E29.1Very low28.9Very low166 Ų166138 Ų13878%0.77672%0.722SS**  trans-76.669.5158.7-78.3-173.4166.300108.5P492 Q496P492-E494 PolarHBondContact O-N 3.46Å; E494-Q496 PolarHBondContact O-N 3.38Å
495N27.2Very low29.3Very low133 Ų133134.2 Ų134.271%0.71172%0.722SS**  trans-86.987.8158.2-103.9-2.4000106.7S493S493-N495 PolarHBondContact O-N 2.81Å
496Q29.5Very low30.3Very low156 Ų156140 Ų14073%0.72975%0.749SS**  trans-122.975159.4-70-170.60.200107.9R244 E494R244-Q496 PolarHBondContact NH2-O 2.95Å; E494-Q496 PolarHBondContact O-N 3.38Å
497N32.7Very low30.4Very low69 Ų69137.8 Ų137.837%0.36975%0.75SS.*  trans-91.586.3157.9-82.7-5.8000106.6R244R244-N497 PolarHBondContact NH2-OD1 3.11Å
498S31Very low30.7Very low98 Ų98135.2 Ų135.269%0.68575%0.752SS**  trans-93.9103.5167.8-55.60000107.2V500S498-V500 PolarHBondContact O-N 3.31Å
499I35.8Very low30.9Very low107 Ų107132.9 Ų132.955%0.54974%0.742SS.*  trans-68.7119171.2-58169.8000107.1F501I499-F501 HydrophobicContact CB-CD2 4.44Å; I499-F501 HydrophobicContact CB-CE2 4.33Å; I499-F501 HydrophobicContact CG2-CD2 3.49Å; I499-F501 VanDerWaalsContact CG2-CD2 3.49Å; I499-F501 HydrophobicContact CG2-CE2 3.35Å; I499-F501 HydrophobicContact CG2-CG 4.25Å; I499-F501 HydrophobicContact CG2-CZ 4Å
500V33.6Very low31.2Very low109 Ų109135.6 Ų135.666%0.66175%0.75SS**  trans-9597.8169.4-177.80000107.6S498S498-V500 PolarHBondContact O-N 3.31Å
501F31.7Very low31.5Very low161 Ų161134.4 Ų134.471%0.70675%0.745SS**  trans-78.5114.2162.7-77.5-79.5000108.2I499I499-F501 HydrophobicContact CB-CD2 4.44Å; I499-F501 HydrophobicContact CB-CE2 4.33Å; I499-F501 HydrophobicContact CG2-CD2 3.49Å; I499-F501 VanDerWaalsContact CG2-CD2 3.49Å; I499-F501 HydrophobicContact CG2-CE2 3.35Å; I499-F501 HydrophobicContact CG2-CG 4.25Å; I499-F501 HydrophobicContact CG2-CZ 4Å
502Q33.1Very low31.8Very low160 Ų160130.3 Ų130.375%0.74874%0.738SS**  trans-85.1110.4159.8-84.3-173.3-1500108.2
503S28.8Very low32Very low100 Ų100131.2 Ų131.270%0.69974%0.736SS**PPolyproline II helixtrans-63.7141.9169.4-45.20000109.8T505S503-T505 PolarHBondContact O-N 3.47Å
504P31.4Very low32.4Very low124 Ų124133.8 Ų133.881%0.80574%0.741SS**PPolyproline II helixtrans-65.2124.6174.127.1-31.1000108.8T506P504-T506 PolarHBondContact O-N 3.33Å
505T33.7Very low32.7Very low145 Ų145131.2 Ų131.289%0.8974%0.738SS**PPolyproline II helixtrans-71125.9165.1120000107.3S503S503-T505 PolarHBondContact O-N 3.47Å
506T43.8Very low33.2Very low212 Ų212131 Ų131100%1.30174%0.74SS**  trans-75.70176.216.60000111.4P504P504-T506 PolarHBondContact O-N 3.33Å

Retrieved 506 of 506 residues in 263.9 ms (Link to these results)

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