G4LZ16_SCHMA Loading...

MSS51_C domain-containing protein

AlphaFold DB , UniProt , Accession G4LZ16, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 396 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
1M57.2Low74.1Confident150 Ų15070.5 Ų70.574%0.73936%0.359SS*.  0-54.70-167.2-179.4-75.800111.8D3 F4 M5 W363M1-D3 VanDerWaalsContact C-N 3.27Å; M1-D3 PolarHBondContact O-N 3.25Å; M1-F4 PolarHBondContact O-N 3.24Å; M1-M5 PolarHBondContact O-N 3.23Å; M1-W363 HydrophobicContact CE-CZ3 4.45Å; M1-W363 HydrophobicContact CG-CZ3 4.44Å
2K66.7Low75.4Confident158 Ų15869.5 Ų69.569%0.68735%0.352SS*.Hα-helixtrans-54.2-43.5175.4-170.7-178.4179-174.20112.2F4 M5 N6K2-F4 PolarHBondContact O-N 3.41Å; K2-M5 PolarHBondContact O-N 2.93Å; K2-N6 PolarHBondContact O-N 3.08Å; K2-N6 PolarHBondContact O-ND2 3.2Å; K2-N6 PolarHBondContact O-OD1 3.3Å
3D67.3Low76.6Confident77 Ų7777.8 Ų77.841%0.41239%0.385SS..Hα-helixtrans-64.4-39.3-178.7-45.6-51.2000112.4M1 M5 N6 F7M1-D3 VanDerWaalsContact C-N 3.27Å; M1-D3 PolarHBondContact O-N 3.25Å; D3-M5 PolarHBondContact O-N 3.14Å; D3-N6 PolarHBondContact O-N 2.85Å; D3-F7 PolarHBondContact O-N 3.09Å
4F71.4Confident78Confident29 Ų2974.1 Ų74.113%0.12737%0.366CS..Hα-helixtrans-62.7-42.7174.5-55.8-52.1000112.3M1 K2 F7 L306 Y307 L310 L330M1-F4 PolarHBondContact O-N 3.24Å; K2-F4 PolarHBondContact O-N 3.41Å; F4-F7 PolarHBondContact O-N 2.91Å; F4-L306 HydrophobicContact CD1-CB 3.95Å; F4-L306 HydrophobicContact CD1-CD2 3.88Å; F4-L306 HydrophobicContact CD1-CG 3.93Å; F4-L306 HydrophobicContact CE1-CB 4.19Å; F4-L306 HydrophobicContact CE1-CD2 4.11Å; F4-L306 HydrophobicContact CE1-CG 3.86Å; F4-Y307 AromaticContact CE2-CD2 3.92Å; F4-Y307 HydrophobicContact CE2-CD2 3.92Å; F4-Y307 AromaticContact CZ-CD2 3.98Å; F4-Y307 HydrophobicContact CZ-CD2 3.98Å; F4-L310 HydrophobicContact CE1-CD1 3.73Å; F4-L310 HydrophobicContact CZ-CD1 3.87Å; F4-L330 HydrophobicContact CE1-CD1 4.28Å; F4-L330 HydrophobicContact CE1-CD2 4.45Å; F4-L330 HydrophobicContact CZ-CD1 4.32Å
5M69.3Low79.1Confident63 Ų6371.4 Ų71.431%0.3136%0.357SS..Hα-helixtrans-68.5-36.7178.2-63.8-61.4-58.300111.8M1 K2 D3 F7 E8 R362 W363M1-M5 PolarHBondContact O-N 3.23Å; K2-M5 PolarHBondContact O-N 2.93Å; D3-M5 PolarHBondContact O-N 3.14Å; M5-F7 PolarHBondContact O-N 2.94Å; M5-E8 WeakPolarHBondContact O-CB 3.46Å; M5-E8 PolarHBondContact O-N 3.33Å; M5-R362 HydrophobicContact CE-CB 4.24Å; M5-R362 HydrophobicContact SD-CB 3.97Å; M5-W363 HydrophobicContact SD-CB 3.92Å
6N71.6Confident80.2Confident102 Ų10267.3 Ų67.355%0.54534%0.336SS..Hα-helixtrans-64.9-21.8178.6-70.3-14.7000113.1K2 D3 P9K2-N6 PolarHBondContact O-N 3.08Å; K2-N6 PolarHBondContact O-ND2 3.2Å; K2-N6 PolarHBondContact O-OD1 3.3Å; D3-N6 PolarHBondContact O-N 2.85Å; N6-P9 WeakPolarHBondContact O-CD 3.42Å
7F76.8Confident81.1Confident32 Ų3267.4 Ų67.414%0.1434%0.341CS..THydrogen-bonded Turntrans-85.9-12.5179.8-152.8-95.1000113.3D3 F4 M5 V10 L11 Y334 L347 F370D3-F7 PolarHBondContact O-N 3.09Å; F4-F7 PolarHBondContact O-N 2.91Å; M5-F7 PolarHBondContact O-N 2.94Å; F7-V10 HydrophobicContact CD1-CB 4.43Å; F7-V10 HydrophobicContact CE1-CB 4.33Å; F7-V10 HydrophobicContact CE1-CG1 4.34Å; F7-V10 HydrophobicContact CZ-CB 4.45Å; F7-V10 HydrophobicContact CZ-CG1 4.18Å; F7-V10 WeakPolarHBondContact O-CB 3.43Å; F7-V10 PolarHBondContact O-N 3.28Å; F7-V10 VanDerWaalsContact O-N 3.1Å; F7-L11 HydrophobicContact CD1-CD1 3.98Å; F7-L11 HydrophobicContact CD1-CD2 4.47Å; F7-L11 HydrophobicContact CD1-CG 3.79Å; F7-L11 HydrophobicContact CE1-CD2 4.36Å; F7-L11 HydrophobicContact CE1-CG 4.09Å; F7-L11 PolarHBondContact O-N 3.15Å; F7-L11 VanDerWaalsContact O-N 3.16Å; F7-Y334 HydrophobicContact CE2-CD1 4.2Å; F7-Y334 AromaticContact CE2-CE1 3.96Å; F7-Y334 HydrophobicContact CE2-CE1 3.96Å; F7-Y334 HydrophobicContact CE2-CE2 4.39Å; F7-Y334 HydrophobicContact CZ-CE1 4.12Å; F7-Y334 HydrophobicContact CZ-CE2 4.3Å; F7-Y334 AromaticContact CZ-CZ 3.86Å; F7-L347 HydrophobicContact CE1-CD1 4.26Å; F7-L347 HydrophobicContact CZ-CB 4.47Å; F7-F370 HydrophobicContact CD1-CE1 4.14Å; F7-F370 AromaticContact CD1-CZ 3.72Å; F7-F370 HydrophobicContact CD1-CZ 3.72Å; F7-F370 AromaticContact CE1-CE1 3.53Å; F7-F370 HydrophobicContact CE1-CE1 3.53Å; F7-F370 AromaticContact CE1-CZ 3.52Å; F7-F370 HydrophobicContact CE1-CZ 3.52Å; F7-F370 HydrophobicContact CZ-CE1 4.07Å; F7-F370 HydrophobicContact CZ-CZ 4.46Å
8E79Confident81.9Confident26 Ų2664.2 Ų64.212%0.12133%0.325CS..Hα-helixtrans-56.5-45-177.9179.1167.5-148.500113.6M5 V10 L11 Q12 R355 S364M5-E8 WeakPolarHBondContact O-CB 3.46Å; M5-E8 PolarHBondContact O-N 3.33Å; E8-V10 PolarHBondContact O-N 3.22Å; E8-L11 WeakPolarHBondContact O-CB 3.35Å; E8-L11 PolarHBondContact O-N 3.38Å; E8-L11 VanDerWaalsContact O-N 3.12Å; E8-Q12 HydrophobicContact CG-CG 4.31Å; E8-Q12 WeakPolarHBondContact O-CG 3.48Å; E8-Q12 PolarHBondContact O-N 3.37Å; E8-Q12 PolarHBondContact OE1-NE2 2.67Å; E8-R355 IonicContact OE1-CZ 3.66Å; E8-R355 IonicContact OE1-NH1 3.48Å; E8-R355 PolarHBondContact OE1-NH1 2.81Å; E8-R355 IonicContact OE1-NH2 3.12Å; E8-R355 PolarHBondContact OE1-NH2 3.37Å; E8-S364 WeakPolarHBondContact CG-OG 3.36Å
9P83.2Confident82.5Confident83 Ų8361 Ų6154%0.53931%0.309SS..Hα-helixtrans-60.6-31.6177.5-24.635.5000113.5N6 K13N6-P9 WeakPolarHBondContact O-CD 3.42Å; P9-K13 PolarHBondContact O-N 2.99Å
10V86.3Confident83.1Confident48 Ų4863 Ų6329%0.29133%0.326SS..Hα-helixtrans-71.2-41.2177.6-173.60000110.2F7 E8 Q12 K13 L347 R351F7-V10 HydrophobicContact CD1-CB 4.43Å; F7-V10 HydrophobicContact CE1-CB 4.33Å; F7-V10 HydrophobicContact CE1-CG1 4.34Å; F7-V10 HydrophobicContact CZ-CB 4.45Å; F7-V10 HydrophobicContact CZ-CG1 4.18Å; F7-V10 WeakPolarHBondContact O-CB 3.43Å; F7-V10 PolarHBondContact O-N 3.28Å; F7-V10 VanDerWaalsContact O-N 3.1Å; E8-V10 PolarHBondContact O-N 3.22Å; V10-Q12 VanDerWaalsContact C-N 3.31Å; V10-Q12 PolarHBondContact O-N 3.23Å; V10-K13 PolarHBondContact O-N 3.39Å; V10-L347 HydrophobicContact CG1-CD2 3.75Å; V10-R351 PolarHBondContact O-NH2 3.37Å
11L86.5Confident83.6Confident8 Ų863.8 Ų63.84%0.04233%0.33CS..Hα-helixtrans-64.5-35175.6-75164.5000112.7F7 E8 K13 L347 R351 F366 A369 F370F7-L11 HydrophobicContact CD1-CD1 3.98Å; F7-L11 HydrophobicContact CD1-CD2 4.47Å; F7-L11 HydrophobicContact CD1-CG 3.79Å; F7-L11 HydrophobicContact CE1-CD2 4.36Å; F7-L11 HydrophobicContact CE1-CG 4.09Å; F7-L11 PolarHBondContact O-N 3.15Å; F7-L11 VanDerWaalsContact O-N 3.16Å; E8-L11 WeakPolarHBondContact O-CB 3.35Å; E8-L11 PolarHBondContact O-N 3.38Å; E8-L11 VanDerWaalsContact O-N 3.12Å; L11-K13 VanDerWaalsContact C-N 3.34Å; L11-L347 HydrophobicContact CD2-CD1 3.51Å; L11-R351 PolarHBondContact O-NE 3.36Å; L11-R351 PolarHBondContact O-NH2 2.92Å; L11-F366 HydrophobicContact CB-CD2 4.17Å; L11-F366 HydrophobicContact CB-CE2 3.75Å; L11-F366 HydrophobicContact CD1-CE2 4.48Å; L11-F366 HydrophobicContact CD2-CD2 4.32Å; L11-A369 HydrophobicContact CD2-CB 4.16Å; L11-F370 HydrophobicContact CD1-CE2 4.23Å; L11-F370 HydrophobicContact CD1-CZ 4.2Å; L11-F370 HydrophobicContact CD2-CE2 3.82Å; L11-F370 HydrophobicContact CD2-CZ 3.83Å; L11-F370 HydrophobicContact CG-CZ 4.33Å
12Q90.1Very high85.4Confident58 Ų5856.7 Ų56.727%0.27130%0.295SS..Hα-helixtrans-77.1-19.4179.6-67.5175.7-21.400113.3E8 V10 L14 T23 F366E8-Q12 HydrophobicContact CG-CG 4.31Å; E8-Q12 WeakPolarHBondContact O-CG 3.48Å; E8-Q12 PolarHBondContact O-N 3.37Å; E8-Q12 PolarHBondContact OE1-NE2 2.67Å; V10-Q12 VanDerWaalsContact C-N 3.31Å; V10-Q12 PolarHBondContact O-N 3.23Å; Q12-L14 PolarHBondContact O-N 3.34Å; Q12-T23 PolarHBondContact NE2-O 3.32Å; Q12-F366 HydrophobicContact CG-CZ 4.48Å
13K90.7Very high86.7Confident178 Ų17849.4 Ų49.477%0.77426%0.264SS*.  trans-71.497.1179.9-169.7-180179.4-175.50110.9P9 V10 L11 R351P9-K13 PolarHBondContact O-N 2.99Å; V10-K13 PolarHBondContact O-N 3.39Å; L11-K13 VanDerWaalsContact C-N 3.34Å; K13-R351 PolarHBondContact O-NH2 3Å
14L95.2Very high87.8Confident25 Ų2546.7 Ų46.713%0.13125%0.252CS..  trans-140.1148.1178.5-69.8166.8000110.1Q12 F16 A19 T23 R351 P353Q12-L14 PolarHBondContact O-N 3.34Å; L14-F16 HydrophobicContact CB-CD2 3.83Å; L14-F16 HydrophobicContact CB-CE2 4.24Å; L14-F16 PolarHBondContact O-N 3Å; L14-A19 HydrophobicContact CB-CB 4.19Å; L14-T23 HydrophobicContact CD1-CG2 4.35Å; L14-R351 HydrophobicContact CD2-CG 4.46Å; L14-P353 HydrophobicContact CD1-CB 3.7Å
15P95.5Very high88.6Confident34 Ų3449 Ų4922%0.22128%0.277CS..SBendtrans-81.328.1-171.835.1-38000113.7W137 L138 I154P15-W137 HydrophobicContact CG-CB 3.79Å; P15-L138 HydrophobicContact CB-CB 4.47Å; P15-L138 HydrophobicContact CG-CB 4.4Å; P15-I154 HydrophobicContact CB-CD1 4.33Å; P15-I154 HydrophobicContact CG-CD1 4.07Å; P15-I154 WeakPolarHBondContact O-CB 3.21Å; P15-I154 PolarHBondContact O-N 3.1Å
16F96.7Very high89.5Confident6 Ų651 Ų513%0.02629%0.289CS..BIsolated β-bridgetrans-103.4136.8-176.3-55.4-72.1000112.2L14 F18 A19 W137 Y141 I154 A159 P353L14-F16 HydrophobicContact CB-CD2 3.83Å; L14-F16 HydrophobicContact CB-CE2 4.24Å; L14-F16 PolarHBondContact O-N 3Å; F16-F18 HydrophobicContact CB-CD1 4.09Å; F16-F18 HydrophobicContact CB-CD2 3.97Å; F16-F18 HydrophobicContact CB-CE1 3.8Å; F16-F18 HydrophobicContact CB-CE2 3.68Å; F16-F18 HydrophobicContact CB-CG 4.17Å; F16-F18 HydrophobicContact CB-CZ 3.58Å; F16-F18 AromaticContact CD1-CE1 3.93Å; F16-F18 HydrophobicContact CD1-CE1 3.93Å; F16-F18 HydrophobicContact CD1-CE2 4.39Å; F16-F18 AromaticContact CD1-CZ 3.61Å; F16-F18 HydrophobicContact CD1-CZ 3.61Å; F16-F18 HydrophobicContact CD2-CE2 4.24Å; F16-F18 HydrophobicContact CD2-CZ 4.21Å; F16-F18 HydrophobicContact CE1-CZ 4.37Å; F16-F18 HydrophobicContact CG-CE1 4.06Å; F16-F18 AromaticContact CG-CE2 3.86Å; F16-F18 HydrophobicContact CG-CE2 3.86Å; F16-F18 AromaticContact CG-CZ 3.53Å; F16-F18 HydrophobicContact CG-CZ 3.53Å; F16-F18 PolarHBondContact O-N 2.95Å; F16-A19 HydrophobicContact CB-CB 4.04Å; F16-A19 VanDerWaalsContact O-CB 3.25Å; F16-A19 WeakPolarHBondContact O-CB 3.43Å; F16-A19 PolarHBondContact O-N 2.94Å; F16-W137 HydrophobicContact CE2-CB 4.28Å; F16-W137 AromaticContact CE2-CD1 3.71Å; F16-W137 HydrophobicContact CE2-CD2 4.33Å; F16-W137 AromaticContact CE2-CG 3.86Å; F16-W137 HydrophobicContact CE2-CG 3.86Å; F16-W137 HydrophobicContact CZ-CB 3.75Å; F16-W137 AromaticContact CZ-CD1 3.81Å; F16-W137 AromaticContact CZ-CD2 3.69Å; F16-W137 HydrophobicContact CZ-CD2 3.69Å; F16-W137 HydrophobicContact CZ-CE3 4.22Å; F16-W137 AromaticContact CZ-CG 3.47Å; F16-W137 HydrophobicContact CZ-CG 3.47Å; F16-W137 VanDerWaalsContact CZ-CG 3.47Å; F16-Y141 AromaticContact CE1-CE2 3.91Å; F16-Y141 HydrophobicContact CE1-CE2 3.91Å; F16-Y141 AromaticContact CE1-CZ 3.87Å; F16-Y141 HydrophobicContact CZ-CE2 4.35Å; F16-I154 CarbonylContact C-O 3.53Å; F16-I154 VanDerWaalsContact CA-O 3.24Å; F16-I154 WeakPolarHBondContact CA-O 3.47Å; F16-I154 HydrophobicContact CD1-CB 3.81Å; F16-I154 HydrophobicContact CD1-CG2 3.68Å; F16-I154 HydrophobicContact CE1-CB 4.16Å; F16-I154 HydrophobicContact CE1-CD1 4.3Å; F16-I154 HydrophobicContact CE1-CG2 3.8Å; F16-A159 HydrophobicContact CE1-CB 3.71Å; F16-A159 HydrophobicContact CE2-CB 4.06Å; F16-A159 HydrophobicContact CZ-CB 3.29Å; F16-P353 HydrophobicContact CD2-CB 3.61Å; F16-P353 HydrophobicContact CD2-CG 4.14Å; F16-P353 HydrophobicContact CE2-CB 3.78Å; F16-P353 HydrophobicContact CE2-CG 4.05Å
17T95.3Very high90.5Very high68 Ų6846.9 Ų46.942%0.41727%0.266SS..THydrogen-bonded Turntrans-63-25.8176.157.20000112.5P20 I154 S155T17-P20 WeakPolarHBondContact O-CD 3.46Å; T17-I154 PolarHBondContact N-O 2.94Å; T17-I154 PolarHBondContact OG1-O 2.94Å; T17-S155 WeakPolarHBondContact CG2-OG 3.39Å; T17-S155 WeakPolarHBondContact OG1-CA 3.31Å; T17-S155 PolarHBondContact OG1-OG 2.77Å
18F94.7Very high91.1Very high11 Ų1148 Ų485%0.04828%0.276CS..THydrogen-bonded Turntrans-88.1-11.317457.4-102.1000114F16 P20 I21 T22 I35 S155 L160 P353F16-F18 HydrophobicContact CB-CD1 4.09Å; F16-F18 HydrophobicContact CB-CD2 3.97Å; F16-F18 HydrophobicContact CB-CE1 3.8Å; F16-F18 HydrophobicContact CB-CE2 3.68Å; F16-F18 HydrophobicContact CB-CG 4.17Å; F16-F18 HydrophobicContact CB-CZ 3.58Å; F16-F18 AromaticContact CD1-CE1 3.93Å; F16-F18 HydrophobicContact CD1-CE1 3.93Å; F16-F18 HydrophobicContact CD1-CE2 4.39Å; F16-F18 AromaticContact CD1-CZ 3.61Å; F16-F18 HydrophobicContact CD1-CZ 3.61Å; F16-F18 HydrophobicContact CD2-CE2 4.24Å; F16-F18 HydrophobicContact CD2-CZ 4.21Å; F16-F18 HydrophobicContact CE1-CZ 4.37Å; F16-F18 HydrophobicContact CG-CE1 4.06Å; F16-F18 AromaticContact CG-CE2 3.86Å; F16-F18 HydrophobicContact CG-CE2 3.86Å; F16-F18 AromaticContact CG-CZ 3.53Å; F16-F18 HydrophobicContact CG-CZ 3.53Å; F16-F18 PolarHBondContact O-N 2.95Å; F18-P20 VanDerWaalsContact C-CD 3.42Å; F18-P20 VanDerWaalsContact C-N 3.35Å; F18-I21 WeakPolarHBondContact O-CB 3.47Å; F18-I21 PolarHBondContact O-N 3.06Å; F18-T22 HydrophobicContact CB-CG2 4.34Å; F18-T22 HydrophobicContact CD2-CG2 3.8Å; F18-T22 HydrophobicContact CG-CG2 4.5Å; F18-T22 PolarHBondContact O-N 2.89Å; F18-T22 PolarHBondContact O-OG1 3.3Å; F18-I35 HydrophobicContact CB-CD1 4.2Å; F18-S155 WeakPolarHBondContact CD1-O 3.12Å; F18-S155 WeakPolarHBondContact CE1-O 3.23Å; F18-L160 HydrophobicContact CE2-CD1 3.95Å; F18-L160 HydrophobicContact CZ-CD1 3.92Å; F18-P353 HydrophobicContact CE2-CB 3.94Å; F18-P353 HydrophobicContact CE2-CG 3.75Å; F18-P353 HydrophobicContact CZ-CG 4.24Å
19A94.7Very high91.6Very high3 Ų349.8 Ų49.83%0.02528%0.281CS..Hα-helixtrans-56.5-38.3-179.500000113.9L14 F16 I21 T22 T23L14-A19 HydrophobicContact CB-CB 4.19Å; F16-A19 HydrophobicContact CB-CB 4.04Å; F16-A19 VanDerWaalsContact O-CB 3.25Å; F16-A19 WeakPolarHBondContact O-CB 3.43Å; F16-A19 PolarHBondContact O-N 2.94Å; A19-I21 PolarHBondContact O-N 3.26Å; A19-I21 VanDerWaalsContact O-N 3.12Å; A19-T22 WeakPolarHBondContact CA-OG1 3.36Å; A19-T22 PolarHBondContact O-N 3.43Å; A19-T23 HydrophobicContact CB-CG2 4.19Å; A19-T23 WeakPolarHBondContact O-CB 3.46Å; A19-T23 VanDerWaalsContact O-CG2 3.3Å; A19-T23 WeakPolarHBondContact O-CG2 3.38Å; A19-T23 PolarHBondContact O-N 3.05Å; A19-T23 PolarHBondContact O-OG1 3.04Å
20P93.7Very high92Very high100 Ų10052.4 Ų52.465%0.64928%0.284SS*.Hα-helixtrans-58.1-24.9174.6-26.536.1000113.9T17 F18 A24T17-P20 WeakPolarHBondContact O-CD 3.46Å; F18-P20 VanDerWaalsContact C-CD 3.42Å; F18-P20 VanDerWaalsContact C-N 3.35Å; P20-A24 WeakPolarHBondContact O-CB 3.45Å
21I94.3Very high92.3Very high81 Ų8152.2 Ų52.242%0.41528%0.279SS..Hα-helixtrans-92.6-48.6177.5-58.3173.2000110.1F18 A19 T23 K31 I35F18-I21 WeakPolarHBondContact O-CB 3.47Å; F18-I21 PolarHBondContact O-N 3.06Å; A19-I21 PolarHBondContact O-N 3.26Å; A19-I21 VanDerWaalsContact O-N 3.12Å; I21-T23 VanDerWaalsContact C-N 3.31Å; I21-T23 PolarHBondContact O-N 3.35Å; I21-K31 HydrophobicContact CG2-CB 4.18Å; I21-K31 HydrophobicContact CG2-CD 4.01Å; I21-K31 HydrophobicContact CG2-CG 4.46Å; I21-I35 HydrophobicContact CG2-CD1 4.18Å
22T94.3Very high92.6Very high0 Ų052 Ų520%028%0.278CS..Hα-helixtrans-77.9-14.8-170.260.10000114.4F18 A19 F27 I35 P353 I354 R355F18-T22 HydrophobicContact CB-CG2 4.34Å; F18-T22 HydrophobicContact CD2-CG2 3.8Å; F18-T22 HydrophobicContact CG-CG2 4.5Å; F18-T22 PolarHBondContact O-N 2.89Å; F18-T22 PolarHBondContact O-OG1 3.3Å; A19-T22 WeakPolarHBondContact CA-OG1 3.36Å; A19-T22 PolarHBondContact O-N 3.43Å; T22-F27 HydrophobicContact CG2-CE2 4.17Å; T22-I35 HydrophobicContact CG2-CD1 3.47Å; T22-I35 VanDerWaalsContact CG2-CD1 3.47Å; T22-P353 WeakPolarHBondContact CB-O 3.11Å; T22-P353 PolarHBondContact OG1-O 3.41Å; T22-I354 HydrophobicContact CG2-CD1 3.53Å; T22-R355 VanDerWaalsContact O-CB 3.27Å; T22-R355 WeakPolarHBondContact O-CB 3.24Å; T22-R355 PolarHBondContact O-N 3.33Å
23T93.3Very high92.8Very high6 Ų650.5 Ų50.54%0.03727%0.272CS..SBendtrans-107.6-7.2179.674.30000113Q12 L14 A19 I21 P353 R355 F366Q12-T23 PolarHBondContact NE2-O 3.32Å; L14-T23 HydrophobicContact CD1-CG2 4.35Å; A19-T23 HydrophobicContact CB-CG2 4.19Å; A19-T23 WeakPolarHBondContact O-CB 3.46Å; A19-T23 VanDerWaalsContact O-CG2 3.3Å; A19-T23 WeakPolarHBondContact O-CG2 3.38Å; A19-T23 PolarHBondContact O-N 3.05Å; A19-T23 PolarHBondContact O-OG1 3.04Å; I21-T23 VanDerWaalsContact C-N 3.31Å; I21-T23 PolarHBondContact O-N 3.35Å; T23-P353 WeakPolarHBondContact CG2-O 3.4Å; T23-R355 PolarHBondContact O-NH1 2.98Å; T23-F366 HydrophobicContact CG2-CE1 3.82Å; T23-F366 HydrophobicContact CG2-CZ 4.27Å
24A91.2Very high93Very high19 Ų1947.2 Ų47.216%0.15726%0.26CS..SBendtrans-64.4156.9-178.400000113.1P20 D26 F27 R355P20-A24 WeakPolarHBondContact O-CB 3.45Å; A24-D26 VanDerWaalsContact C-N 3.29Å; A24-D26 VanDerWaalsContact CB-OD1 3.3Å; A24-D26 WeakPolarHBondContact CB-OD1 3.5Å; A24-D26 PolarHBondContact O-N 3.4Å; A24-F27 WeakPolarHBondContact O-CB 3.49Å; A24-F27 PolarHBondContact O-N 2.92Å; A24-F27 VanDerWaalsContact O-N 3.17Å; A24-R355 WeakPolarHBondContact O-CD 3.26Å; A24-R355 PolarHBondContact O-NH1 2.87Å
25A87.8Confident92.9Very high79 Ų7947 Ų4765%0.65326%0.259SS*.THydrogen-bonded Turntrans-68.7-27.1179.300000114.1F27A25-F27 VanDerWaalsContact C-N 3.3Å
26D89.3Confident92.8Very high105 Ų10545.4 Ų45.456%0.56125%0.248SC*.THydrogen-bonded Turntrans-94.215.1174.875.6-30.6000111.9A24 T28 K31A24-D26 VanDerWaalsContact C-N 3.29Å; A24-D26 VanDerWaalsContact CB-OD1 3.3Å; A24-D26 WeakPolarHBondContact CB-OD1 3.5Å; A24-D26 PolarHBondContact O-N 3.4Å; D26-T28 PolarHBondContact O-N 3.09Å; D26-K31 PolarHBondContact O-NZ 3.43Å; D26-K31 IonicContact OD1-NZ 2.88Å; D26-K31 PolarHBondContact OD1-NZ 3.2Å; D26-K31 VanDerWaalsContact OD1-NZ 3.15Å; D26-K31 IonicContact OD2-NZ 3.7Å; D26-K31 PolarHBondContact OD2-NZ 3.15Å
27F91.6Very high92.7Very high14 Ų1448.4 Ų48.46%0.06127%0.27CS..  trans-58.7138.1173.9171.9-102.5000109.9T22 A24 A25 K31 L32 I354 R355T22-F27 HydrophobicContact CG2-CE2 4.17Å; A24-F27 WeakPolarHBondContact O-CB 3.49Å; A24-F27 PolarHBondContact O-N 2.92Å; A24-F27 VanDerWaalsContact O-N 3.17Å; A25-F27 VanDerWaalsContact C-N 3.3Å; F27-K31 HydrophobicContact CD2-CB 4.36Å; F27-K31 HydrophobicContact CE2-CB 4.41Å; F27-L32 HydrophobicContact CE2-CB 4.02Å; F27-L32 HydrophobicContact CZ-CB 3.77Å; F27-L32 HydrophobicContact CZ-CD2 4.46Å; F27-I354 HydrophobicContact CE1-CG2 3.87Å; F27-I354 HydrophobicContact CZ-CG2 3.62Å; F27-R355 HydrophobicContact CB-CB 4.36Å; F27-R355 HydrophobicContact CD1-CB 3.84Å; F27-R355 WeakPolarHBondContact CD1-O 3.36Å; F27-R355 HydrophobicContact CE1-CB 4.5Å; F27-R355 WeakPolarHBondContact CE1-O 3.17Å; F27-R355 HydrophobicContact CG-CB 4.28Å
28T90.5Very high92.7Very high57 Ų5752.8 Ų52.835%0.3529%0.285SS..  trans-135.8160.8175.165.80000110.3D26 F30 K31 L32 E357D26-T28 PolarHBondContact O-N 3.09Å; T28-F30 PolarHBondContact O-N 3.38Å; T28-K31 WeakPolarHBondContact O-CB 3.44Å; T28-K31 PolarHBondContact O-N 3.34Å; T28-L32 PolarHBondContact O-N 2.9Å; T28-E357 VanDerWaalsContact C-OE1 3.3Å; T28-E357 WeakPolarHBondContact CA-OE1 3.23Å
29R88.5Confident92.6Very high63 Ų6355.7 Ų55.724%0.23830%0.298CS..Hα-helixtrans-58.7-32.9175.5-173.165.4-148.1-130.4-19.3112.9L32 D33 F51 E357R29-L32 WeakPolarHBondContact O-CB 3.31Å; R29-L32 PolarHBondContact O-N 3.33Å; R29-D33 IonicContact CZ-OD1 2.69Å; R29-D33 IonicContact NE-OD1 3.46Å; R29-D33 PolarHBondContact NE-OD1 3.48Å; R29-D33 VanDerWaalsContact NE-OD1 3.12Å; R29-D33 IonicContact NH2-OD1 3.23Å; R29-D33 PolarHBondContact NH2-OD1 3.31Å; R29-D33 PolarHBondContact O-N 3.22Å; R29-F51 VanDerWaalsContact NH1-CB 3.26Å; R29-F51 PolarHBondContact NH1-O 2.85Å; R29-F51 VanDerWaalsContact NH2-CB 3.33Å; R29-F51 PolarHBondContact NH2-O 3.45Å; R29-E357 WeakPolarHBondContact CB-OE1 3.19Å; R29-E357 PolarHBondContact N-OE1 3.37Å
30F91.6Very high92.6Very high137 Ų13757.5 Ų57.560%0.60132%0.317SS*.Hα-helixtrans-60.1-45174.1-179.3-96.7000111.7T28 L32 D33 E34T28-F30 PolarHBondContact O-N 3.38Å; F30-L32 VanDerWaalsContact C-N 3.29Å; F30-L32 PolarHBondContact O-N 3.14Å; F30-D33 PolarHBondContact O-N 3.01Å; F30-E34 HydrophobicContact CD1-CG 4.29Å; F30-E34 HydrophobicContact CE1-CG 3.88Å; F30-E34 WeakPolarHBondContact CE1-OE1 3.47Å; F30-E34 HydrophobicContact CZ-CG 4.12Å; F30-E34 PolarHBondContact O-N 3.46Å
31K93.1Very high92.6Very high44 Ų4452.8 Ų52.819%0.19129%0.286CS..Hα-helixtrans-62.1-37.1176.5-68.4172.2170.9174.70111.9I21 D26 F27 T28 E34 I35I21-K31 HydrophobicContact CG2-CB 4.18Å; I21-K31 HydrophobicContact CG2-CD 4.01Å; I21-K31 HydrophobicContact CG2-CG 4.46Å; D26-K31 PolarHBondContact O-NZ 3.43Å; D26-K31 IonicContact OD1-NZ 2.88Å; D26-K31 PolarHBondContact OD1-NZ 3.2Å; D26-K31 VanDerWaalsContact OD1-NZ 3.15Å; D26-K31 IonicContact OD2-NZ 3.7Å; D26-K31 PolarHBondContact OD2-NZ 3.15Å; F27-K31 HydrophobicContact CD2-CB 4.36Å; F27-K31 HydrophobicContact CE2-CB 4.41Å; T28-K31 WeakPolarHBondContact O-CB 3.44Å; T28-K31 PolarHBondContact O-N 3.34Å; K31-E34 PolarHBondContact O-N 3.14Å; K31-I35 VanDerWaalsContact O-CG1 3.31Å; K31-I35 WeakPolarHBondContact O-CG1 3.38Å; K31-I35 PolarHBondContact O-N 2.78Å; K31-I35 VanDerWaalsContact O-N 3.07Å
32L93Very high92.6Very high3 Ų350.2 Ų50.22%0.01627%0.273CS..Hα-helixtrans-64.7-46.8173.8-178.460.3000111.9F27 T28 R29 F30 E34 I35 L36 F51 L160 I354F27-L32 HydrophobicContact CE2-CB 4.02Å; F27-L32 HydrophobicContact CZ-CB 3.77Å; F27-L32 HydrophobicContact CZ-CD2 4.46Å; T28-L32 PolarHBondContact O-N 2.9Å; R29-L32 WeakPolarHBondContact O-CB 3.31Å; R29-L32 PolarHBondContact O-N 3.33Å; F30-L32 VanDerWaalsContact C-N 3.29Å; F30-L32 PolarHBondContact O-N 3.14Å; L32-E34 VanDerWaalsContact C-N 3.26Å; L32-E34 PolarHBondContact O-N 3.29Å; L32-I35 PolarHBondContact O-N 3.37Å; L32-L36 HydrophobicContact CD1-CD1 4.09Å; L32-L36 HydrophobicContact CD1-CG 4.02Å; L32-L36 HydrophobicContact CG-CD1 3.98Å; L32-L36 HydrophobicContact CG-CG 4.28Å; L32-L36 WeakPolarHBondContact O-CG 3.4Å; L32-L36 PolarHBondContact O-N 3.05Å; L32-F51 HydrophobicContact CD2-CD1 3.63Å; L32-F51 HydrophobicContact CD2-CD2 4.38Å; L32-F51 HydrophobicContact CD2-CE1 3.77Å; L32-F51 HydrophobicContact CD2-CG 3.98Å; L32-F51 HydrophobicContact CD2-CZ 4.22Å; L32-L160 HydrophobicContact CD1-CD2 4.03Å; L32-I354 HydrophobicContact CD1-CD1 3.82Å; L32-I354 HydrophobicContact CD1-CG1 4.33Å; L32-I354 HydrophobicContact CD2-CG2 4.17Å
33D93.3Very high92.4Very high27 Ų2755.5 Ų55.514%0.14429%0.293CS..Hα-helixtrans-60.8-37.1178.5-76.813.8000110.4R29 F30 S37 N42 R43R29-D33 IonicContact CZ-OD1 2.69Å; R29-D33 IonicContact NE-OD1 3.46Å; R29-D33 PolarHBondContact NE-OD1 3.48Å; R29-D33 VanDerWaalsContact NE-OD1 3.12Å; R29-D33 IonicContact NH2-OD1 3.23Å; R29-D33 PolarHBondContact NH2-OD1 3.31Å; R29-D33 PolarHBondContact O-N 3.22Å; F30-D33 PolarHBondContact O-N 3.01Å; D33-S37 WeakPolarHBondContact O-CB 3.38Å; D33-S37 PolarHBondContact O-N 3.35Å; D33-S37 PolarHBondContact O-OG 3.4Å; D33-N42 PolarHBondContact O-ND2 2.85Å; D33-R43 IonicContact OD2-CZ 3.58Å; D33-R43 IonicContact OD2-NE 2.85Å; D33-R43 IonicContact OD2-NH2 3.46Å; D33-R43 PolarHBondContact OD2-NH2 3.47Å
34E94.5Very high92.4Very high109 Ų10960 Ų6051%0.50931%0.314SS..Hα-helixtrans-62-49171.9-72.8-175.7138.300112.5F30 K31 L32 S37 H38F30-E34 HydrophobicContact CD1-CG 4.29Å; F30-E34 HydrophobicContact CE1-CG 3.88Å; F30-E34 WeakPolarHBondContact CE1-OE1 3.47Å; F30-E34 HydrophobicContact CZ-CG 4.12Å; F30-E34 PolarHBondContact O-N 3.46Å; K31-E34 PolarHBondContact O-N 3.14Å; L32-E34 VanDerWaalsContact C-N 3.26Å; L32-E34 PolarHBondContact O-N 3.29Å; E34-S37 PolarHBondContact O-N 3.07Å; E34-H38 PolarHBondContact O-N 3.23Å
35I93.5Very high92.5Very high22 Ų2259.9 Ų59.911%0.11331%0.314CS..Hα-helixtrans-59.7-50.4178.5-69.3164.3000110.4F18 I21 T22 K31 L32 S37 H38 F39F18-I35 HydrophobicContact CB-CD1 4.2Å; I21-I35 HydrophobicContact CG2-CD1 4.18Å; T22-I35 HydrophobicContact CG2-CD1 3.47Å; T22-I35 VanDerWaalsContact CG2-CD1 3.47Å; K31-I35 VanDerWaalsContact O-CG1 3.31Å; K31-I35 WeakPolarHBondContact O-CG1 3.38Å; K31-I35 PolarHBondContact O-N 2.78Å; K31-I35 VanDerWaalsContact O-N 3.07Å; L32-I35 PolarHBondContact O-N 3.37Å; I35-S37 PolarHBondContact O-N 2.93Å; I35-H38 WeakPolarHBondContact O-CB 3.43Å; I35-H38 PolarHBondContact O-N 3.2Å; I35-F39 HydrophobicContact CG2-CD2 4.09Å; I35-F39 HydrophobicContact CG2-CE2 3.91Å; I35-F39 WeakPolarHBondContact O-CD2 3.48Å; I35-F39 PolarHBondContact O-N 3.16Å
36L94.4Very high92.9Very high0 Ų056.1 Ų56.10%028%0.283CS..Hα-helixtrans-66-30-179.8-64.6-179.8000112.1L32 F39 G40 V41 N42 W47 F51 P157 L160L32-L36 HydrophobicContact CD1-CD1 4.09Å; L32-L36 HydrophobicContact CD1-CG 4.02Å; L32-L36 HydrophobicContact CG-CD1 3.98Å; L32-L36 HydrophobicContact CG-CG 4.28Å; L32-L36 WeakPolarHBondContact O-CG 3.4Å; L32-L36 PolarHBondContact O-N 3.05Å; L36-F39 PolarHBondContact O-N 3.28Å; L36-G40 PolarHBondContact O-N 3.39Å; L36-V41 HydrophobicContact CB-CG2 4.17Å; L36-V41 HydrophobicContact CD2-CG2 3.89Å; L36-V41 PolarHBondContact O-N 3.34Å; L36-N42 HydrophobicContact CB-CB 3.74Å; L36-N42 PolarHBondContact O-N 2.66Å; L36-W47 HydrophobicContact CD2-CE3 4Å; L36-W47 HydrophobicContact CD2-CZ3 4.24Å; L36-F51 HydrophobicContact CD1-CD2 3.92Å; L36-F51 HydrophobicContact CD1-CE2 4.27Å; L36-P157 HydrophobicContact CD2-CB 4.43Å; L36-L160 HydrophobicContact CD2-CD2 3.87Å
37S94.8Very high93.2Very high68 Ų6851.1 Ų51.148%0.47626%0.256SS..Hα-helixtrans-71-37.2176-59.80000111D33 E34 I35 F39 G40 N42D33-S37 WeakPolarHBondContact O-CB 3.38Å; D33-S37 PolarHBondContact O-N 3.35Å; D33-S37 PolarHBondContact O-OG 3.4Å; E34-S37 PolarHBondContact O-N 3.07Å; I35-S37 PolarHBondContact O-N 2.93Å; S37-F39 VanDerWaalsContact C-N 3.26Å; S37-F39 PolarHBondContact O-N 3.45Å; S37-G40 PolarHBondContact O-N 3.1Å; S37-N42 WeakPolarHBondContact OG-CB 3.14Å; S37-N42 PolarHBondContact OG-ND2 3.14Å
38H94Very high93.2Very high160 Ų16052.3 Ų52.374%0.74126%0.262SS*.Hα-helixtrans-59-37.6172.6-179.376.5000112.3E34 I35 G40E34-H38 PolarHBondContact O-N 3.23Å; I35-H38 WeakPolarHBondContact O-CB 3.43Å; I35-H38 PolarHBondContact O-N 3.2Å; H38-G40 VanDerWaalsContact C-N 3.29Å; H38-G40 PolarHBondContact O-N 3.49Å
39F93Very high93.2Very high72 Ų7250.5 Ų50.532%0.31625%0.248SC..THydrogen-bonded Turntrans-81.7-3.1174.4-69.8-72000114.2I35 L36 S37 V41 S155 P157I35-F39 HydrophobicContact CG2-CD2 4.09Å; I35-F39 HydrophobicContact CG2-CE2 3.91Å; I35-F39 WeakPolarHBondContact O-CD2 3.48Å; I35-F39 PolarHBondContact O-N 3.16Å; L36-F39 PolarHBondContact O-N 3.28Å; S37-F39 VanDerWaalsContact C-N 3.26Å; S37-F39 PolarHBondContact O-N 3.45Å; F39-V41 VanDerWaalsContact C-N 3.26Å; F39-V41 HydrophobicContact CB-CG2 4.04Å; F39-V41 PolarHBondContact O-N 2.94Å; F39-S155 WeakPolarHBondContact CZ-O 3.22Å; F39-P157 HydrophobicContact CB-CG 4.15Å; F39-P157 HydrophobicContact CD1-CG 4.22Å; F39-P157 HydrophobicContact CD2-CB 4.28Å; F39-P157 HydrophobicContact CD2-CG 3.62Å; F39-P157 HydrophobicContact CE2-CB 4.45Å; F39-P157 HydrophobicContact CE2-CG 4.09Å; F39-P157 HydrophobicContact CG-CG 3.72Å
40G94.2Very high93.2Very high41 Ų4147.9 Ų47.942%0.42324%0.239SC..THydrogen-bonded Turntrans71.614.6-179.500000114.9L36 S37 H38 Q44 V103L36-G40 PolarHBondContact O-N 3.39Å; S37-G40 PolarHBondContact O-N 3.1Å; H38-G40 VanDerWaalsContact C-N 3.29Å; H38-G40 PolarHBondContact O-N 3.49Å; G40-Q44 PolarHBondContact O-NE2 3.34Å; G40-V103 WeakPolarHBondContact O-CG1 3.49Å
41V94.9Very high92.8Very high2 Ų242.3 Ų42.31%0.01221%0.214CC..  trans-110.2-6.7-173-59.50000114L36 F39 R43 Q44 W47 V103L36-V41 HydrophobicContact CB-CG2 4.17Å; L36-V41 HydrophobicContact CD2-CG2 3.89Å; L36-V41 PolarHBondContact O-N 3.34Å; F39-V41 VanDerWaalsContact C-N 3.26Å; F39-V41 HydrophobicContact CB-CG2 4.04Å; F39-V41 PolarHBondContact O-N 2.94Å; V41-R43 PolarHBondContact O-N 2.92Å; V41-Q44 PolarHBondContact O-N 2.93Å; V41-W47 HydrophobicContact CB-CD2 3.91Å; V41-W47 HydrophobicContact CB-CG 3.82Å; V41-W47 HydrophobicContact CB-CZ2 4.43Å; V41-W47 HydrophobicContact CG1-CZ2 4.25Å; V41-W47 HydrophobicContact CG2-CD2 3.71Å; V41-W47 HydrophobicContact CG2-CE3 4.04Å; V41-W47 HydrophobicContact CG2-CG 4.01Å; V41-W47 HydrophobicContact CG2-CZ2 4.27Å; V41-W47 HydrophobicContact CG2-CZ3 4.44Å; V41-W47 WeakPolarHBondContact O-CB 3.33Å; V41-V103 HydrophobicContact CG1-CB 4.17Å
42N93.5Very high91.6Very high27 Ų2743.2 Ų43.214%0.14423%0.225CC..THydrogen-bonded Turntrans-55.1129.4-175.1-166.516.4000112.3D33 L36 S37 Q44D33-N42 PolarHBondContact O-ND2 2.85Å; L36-N42 HydrophobicContact CB-CB 3.74Å; L36-N42 PolarHBondContact O-N 2.66Å; S37-N42 WeakPolarHBondContact OG-CB 3.14Å; S37-N42 PolarHBondContact OG-ND2 3.14Å; N42-Q44 WeakPolarHBondContact O-CG 2.93Å; N42-Q44 PolarHBondContact O-N 3.47Å; N42-Q44 VanDerWaalsContact O-N 3.1Å
43R90.6Very high89.7Confident110 Ų11044.5 Ų44.542%0.41524%0.235SC..THydrogen-bonded Turntrans54.224.2178.4-59.9174.9-175.9-103.5-6.7114.8D33 V41 S53D33-R43 IonicContact OD2-CZ 3.58Å; D33-R43 IonicContact OD2-NE 2.85Å; D33-R43 IonicContact OD2-NH2 3.46Å; D33-R43 PolarHBondContact OD2-NH2 3.47Å; V41-R43 PolarHBondContact O-N 2.92Å; R43-S53 PolarHBondContact NH2-OG 2.89Å
44Q93.1Very high87.5Confident102 Ų10251.4 Ų51.448%0.47727%0.272SS..SBendtrans-124.4158.4-179.7-69.8174.479.600111.5G40 V41 N42 L46 W47 K48 V103G40-Q44 PolarHBondContact O-NE2 3.34Å; V41-Q44 PolarHBondContact O-N 2.93Å; N42-Q44 WeakPolarHBondContact O-CG 2.93Å; N42-Q44 PolarHBondContact O-N 3.47Å; N42-Q44 VanDerWaalsContact O-N 3.1Å; Q44-L46 PolarHBondContact O-N 3.12Å; Q44-W47 VanDerWaalsContact O-CB 3.31Å; Q44-W47 WeakPolarHBondContact O-CB 3.49Å; Q44-W47 PolarHBondContact O-N 3.43Å; Q44-W47 VanDerWaalsContact O-N 3.1Å; Q44-K48 PolarHBondContact O-N 3.35Å; Q44-V103 VanDerWaalsContact C-CG2 3.49Å; Q44-V103 HydrophobicContact CB-CB 4.38Å; Q44-V103 HydrophobicContact CB-CG1 3.94Å; Q44-V103 HydrophobicContact CB-CG2 3.56Å
45G94.4Very high85Confident15 Ų1548.8 Ų48.816%0.15527%0.265CS..THydrogen-bonded Turntrans49.7-132.517800000112.9W47 K48 Y49 R100 A101G45-W47 VanDerWaalsContact C-N 3.34Å; G45-K48 VanDerWaalsContact O-CG 3.29Å; G45-K48 WeakPolarHBondContact O-CG 3.41Å; G45-Y49 WeakPolarHBondContact O-CE2 3.36Å; G45-R100 WeakPolarHBondContact CA-O 3.45Å; G45-A101 WeakPolarHBondContact CA-O 3.45Å
46L95.8Very high82.7Confident0 Ų055.9 Ų55.90%030%0.298CS..THydrogen-bonded Turntrans-71.8-28.1178.7-64.7174.4000113.7Q44 K48 Y49 E50 F69 A101 F102 L161 S205 L206 P208 V209Q44-L46 PolarHBondContact O-N 3.12Å; L46-K48 PolarHBondContact O-N 2.9Å; L46-Y49 HydrophobicContact CD2-CD2 4.09Å; L46-Y49 HydrophobicContact CD2-CE2 4.04Å; L46-Y49 PolarHBondContact O-N 3.14Å; L46-E50 PolarHBondContact O-N 3.09Å; L46-F69 HydrophobicContact CD2-CE2 3.88Å; L46-F69 HydrophobicContact CD2-CZ 4.12Å; L46-A101 HydrophobicContact CD1-CB 3.97Å; L46-A101 HydrophobicContact CG-CB 4.06Å; L46-A101 WeakPolarHBondContact CG-O 3.39Å; L46-A101 PolarHBondContact N-O 3.11Å; L46-F102 HydrophobicContact CD1-CE1 4.35Å; L46-F102 HydrophobicContact CD1-CZ 4.44Å; L46-L161 HydrophobicContact CB-CD1 4.01Å; L46-L161 HydrophobicContact CB-CD2 4.17Å; L46-L161 HydrophobicContact CD1-CD1 4.48Å; L46-S205 WeakPolarHBondContact CD2-O 3.45Å; L46-L206 HydrophobicContact CB-CD2 3.94Å; L46-L206 HydrophobicContact CD2-CD2 4.21Å; L46-P208 HydrophobicContact CD1-CB 4Å; L46-P208 HydrophobicContact CD1-CG 4.14Å; L46-P208 HydrophobicContact CD2-CG 3.94Å; L46-V209 HydrophobicContact CD1-CG1 3.74Å
47W94.3Very high80.3Confident1 Ų164.2 Ų64.20%0.00434%0.336CS..Hα-helixtrans-62.1-27.2-177.2-50.189.8000112.9L36 V41 Q44 G45 Y49 F102 L107 P157 L160 L161L36-W47 HydrophobicContact CD2-CE3 4Å; L36-W47 HydrophobicContact CD2-CZ3 4.24Å; V41-W47 HydrophobicContact CB-CD2 3.91Å; V41-W47 HydrophobicContact CB-CG 3.82Å; V41-W47 HydrophobicContact CB-CZ2 4.43Å; V41-W47 HydrophobicContact CG1-CZ2 4.25Å; V41-W47 HydrophobicContact CG2-CD2 3.71Å; V41-W47 HydrophobicContact CG2-CE3 4.04Å; V41-W47 HydrophobicContact CG2-CG 4.01Å; V41-W47 HydrophobicContact CG2-CZ2 4.27Å; V41-W47 HydrophobicContact CG2-CZ3 4.44Å; V41-W47 WeakPolarHBondContact O-CB 3.33Å; Q44-W47 VanDerWaalsContact O-CB 3.31Å; Q44-W47 WeakPolarHBondContact O-CB 3.49Å; Q44-W47 PolarHBondContact O-N 3.43Å; Q44-W47 VanDerWaalsContact O-N 3.1Å; G45-W47 VanDerWaalsContact C-N 3.34Å; W47-Y49 VanDerWaalsContact C-N 3.33Å; W47-F102 PolarHBondContact NE1-O 3.31Å; W47-L107 HydrophobicContact CZ2-CD1 3.98Å; W47-P157 HydrophobicContact CH2-CB 4.07Å; W47-P157 HydrophobicContact CH2-CG 3.73Å; W47-P157 HydrophobicContact CZ3-CB 3.95Å; W47-P157 HydrophobicContact CZ3-CG 4.01Å; W47-P157 WeakPolarHBondContact CZ3-O 3.4Å; W47-L160 HydrophobicContact CZ3-CB 4.11Å; W47-L160 HydrophobicContact CZ3-CD2 4.49Å; W47-L161 HydrophobicContact CD2-CD1 3.82Å; W47-L161 HydrophobicContact CD2-CD2 4.35Å; W47-L161 HydrophobicContact CD2-CG 4.14Å; W47-L161 HydrophobicContact CE3-CD1 4.1Å; W47-L161 HydrophobicContact CE3-CD2 4.2Å; W47-L161 HydrophobicContact CE3-CG 3.93Å; W47-L161 HydrophobicContact CG-CD1 4.43Å; W47-L161 HydrophobicContact CH2-CD1 4Å; W47-L161 HydrophobicContact CH2-CG 4.16Å; W47-L161 HydrophobicContact CZ2-CD1 3.7Å; W47-L161 HydrophobicContact CZ2-CG 4.35Å; W47-L161 HydrophobicContact CZ3-CD1 4.19Å; W47-L161 HydrophobicContact CZ3-CG 3.95Å
48K92Very high78.3Confident39 Ų3964.5 Ų64.517%0.1733%0.329CS..Hα-helixtrans-70.2-27.2176.384.3-168.4177.21660113.3Q44 G45 L46 C52 D65Q44-K48 PolarHBondContact O-N 3.35Å; G45-K48 VanDerWaalsContact O-CG 3.29Å; G45-K48 WeakPolarHBondContact O-CG 3.41Å; L46-K48 PolarHBondContact O-N 2.9Å; K48-C52 PolarHBondContact O-N 2.98Å; K48-D65 WeakPolarHBondContact CE-OD2 3.5Å; K48-D65 IonicContact NZ-OD2 2.59Å; K48-D65 PolarHBondContact NZ-OD2 3.07Å
49Y90.8Very high76.9Confident18 Ų1865.3 Ų65.37%0.07133%0.333CS..Hα-helixtrans-84-38.9-179.6-48.8-62.5000112.1G45 L46 W47 F51 D65 F69 L206G45-Y49 WeakPolarHBondContact O-CE2 3.36Å; L46-Y49 HydrophobicContact CD2-CD2 4.09Å; L46-Y49 HydrophobicContact CD2-CE2 4.04Å; L46-Y49 PolarHBondContact O-N 3.14Å; W47-Y49 VanDerWaalsContact C-N 3.33Å; Y49-F51 PolarHBondContact O-N 3.25Å; Y49-D65 HydrophobicContact CE1-CB 3.99Å; Y49-D65 WeakPolarHBondContact OH-CB 3.22Å; Y49-D65 PolarHBondContact OH-OD2 3.33Å; Y49-F69 AromaticContact CE2-CE2 3.9Å; Y49-F69 HydrophobicContact CE2-CE2 3.9Å; Y49-F69 HydrophobicContact CE2-CZ 4.1Å; Y49-L206 HydrophobicContact CD2-CD2 4.45Å
50E88.8Confident76.2Confident9 Ų964.9 Ų64.94%0.04233%0.334CS..Hα-helixtrans-59.4-33.3178.7-179.853.3-138.500111.3L46 L160 L161 H163 W164 K202 L206L46-E50 PolarHBondContact O-N 3.09Å; E50-L160 WeakPolarHBondContact CG-O 3.34Å; E50-L161 HydrophobicContact CB-CD2 4.03Å; E50-H163 IonicContact OE1-NE2 2.72Å; E50-H163 PolarHBondContact OE1-NE2 2.77Å; E50-W164 PolarHBondContact OE2-NE1 3.38Å; E50-K202 VanDerWaalsContact CD-NZ 3.28Å; E50-K202 PolarHBondContact O-NZ 2.75Å; E50-K202 IonicContact OE1-NZ 2.68Å; E50-K202 PolarHBondContact OE1-NZ 3.34Å; E50-K202 WeakPolarHBondContact OE2-CE 3.47Å; E50-K202 IonicContact OE2-NZ 2.72Å; E50-K202 PolarHBondContact OE2-NZ 3.41Å; E50-L206 VanDerWaalsContact OE2-CD1 3.26Å; E50-L206 WeakPolarHBondContact OE2-CD1 3.18Å
51F82.6Confident76Confident19 Ų1965.5 Ų65.58%0.08333%0.332CS..THydrogen-bonded Turntrans-127.934.9-165.7-67.5-54.7000112.4R29 L32 L36 Y49 S53 L160 I354R29-F51 VanDerWaalsContact NH1-CB 3.26Å; R29-F51 PolarHBondContact NH1-O 2.85Å; R29-F51 VanDerWaalsContact NH2-CB 3.33Å; R29-F51 PolarHBondContact NH2-O 3.45Å; L32-F51 HydrophobicContact CD2-CD1 3.63Å; L32-F51 HydrophobicContact CD2-CD2 4.38Å; L32-F51 HydrophobicContact CD2-CE1 3.77Å; L32-F51 HydrophobicContact CD2-CG 3.98Å; L32-F51 HydrophobicContact CD2-CZ 4.22Å; L36-F51 HydrophobicContact CD1-CD2 3.92Å; L36-F51 HydrophobicContact CD1-CE2 4.27Å; Y49-F51 PolarHBondContact O-N 3.25Å; F51-S53 PolarHBondContact O-N 3.04Å; F51-L160 HydrophobicContact CE2-CB 3.84Å; F51-L160 HydrophobicContact CE2-CD2 3.58Å; F51-L160 HydrophobicContact CE2-CG 4.04Å; F51-L160 HydrophobicContact CZ-CB 3.78Å; F51-L160 HydrophobicContact CZ-CD2 3.59Å; F51-L160 HydrophobicContact CZ-CG 3.71Å; F51-I354 HydrophobicContact CE1-CB 4.46Å; F51-I354 HydrophobicContact CE1-CG1 4.23Å; F51-I354 HydrophobicContact CE1-CG2 4.28Å; F51-I354 HydrophobicContact CZ-CG1 4.04Å
52C68.8Low75.7Confident63 Ų6366.7 Ų66.743%0.42634%0.339SS..  trans-56.4130.1-179.3-1390000111.1K48 F58K48-C52 PolarHBondContact O-N 2.98Å; C52-F58 WeakPolarHBondContact SG-CB 3.39Å
53S52.7Low75.6Confident31 Ų3165.5 Ų65.522%0.21733%0.333CS..  trans-82.1136.5173.2-57.30000108.2R43 F51 S55R43-S53 PolarHBondContact NH2-OG 2.89Å; F51-S53 PolarHBondContact O-N 3.04Å; S53-S55 WeakPolarHBondContact CB-OG 3.39Å; S53-S55 PolarHBondContact O-N 3.25Å; S53-S55 PolarHBondContact O-OG 3.31Å; S53-S55 VanDerWaalsContact O-OG 3.09Å
54D46.9Very low75.6Confident172 Ų17261.3 Ų61.392%0.9232%0.324SS*.SBendtrans-53.90.5170.9-70.2-38.1000114.5H56D54-H56 PolarHBondContact O-N 3.19Å; D54-H56 VanDerWaalsContact O-N 3.11Å
55S42.7Very low75.6Confident53 Ų5358.1 Ų58.137%0.37131%0.31SS..SBendtrans-51.6119.5164.354.60000110S53 H57 F58S53-S55 WeakPolarHBondContact CB-OG 3.39Å; S53-S55 PolarHBondContact O-N 3.25Å; S53-S55 PolarHBondContact O-OG 3.31Å; S53-S55 VanDerWaalsContact O-OG 3.09Å; S55-H57 PolarHBondContact O-N 3.18Å; S55-F58 PolarHBondContact O-N 3.09Å
56H45.1Very low75.6Confident172 Ų17257.6 Ų57.680%0.79630%0.304SS*.THydrogen-bonded Turntrans-44-2.9174.3-66.6-72.5000117D54D54-H56 PolarHBondContact O-N 3.19Å; D54-H56 VanDerWaalsContact O-N 3.11Å
57H43.3Very low75.6Confident174 Ų17462.1 Ų62.181%0.80633%0.333SS*.THydrogen-bonded Turntrans-85.6-10178.7-82.9-26.9000115.9S55S55-H57 PolarHBondContact O-N 3.18Å
58F52.2Low75.5Confident75 Ų7565.7 Ų65.733%0.32935%0.352SS..  trans-114.465.4173.2-71.9-81.9000111.3C52 S55 I60C52-F58 WeakPolarHBondContact SG-CB 3.39Å; S55-F58 PolarHBondContact O-N 3.09Å; F58-I60 HydrophobicContact CD1-CD1 4.09Å; F58-I60 PolarHBondContact O-N 2.91Å
59Q64.7Low75.6Confident177 Ų17764 Ų6483%0.82735%0.345SS*.  trans-73.937.3166.6-69.5-177-27.900112S61Q59-S61 PolarHBondContact O-N 2.93Å
60I79.4Confident75.7Confident63 Ų6365.9 Ų65.932%0.32336%0.361SS..  trans-92.4108.4179.5-54.2-180000106.6F58 D65F58-I60 HydrophobicContact CD1-CD1 4.09Å; F58-I60 PolarHBondContact O-N 2.91Å; I60-D65 WeakPolarHBondContact CD1-OD2 3.3Å
61S89Confident75.9Confident54 Ų5468 Ų6838%0.37837%0.372SS..  trans-54.9139.2170.5-600000109.4Q59 G63 G64Q59-S61 PolarHBondContact O-N 2.93Å; S61-G63 PolarHBondContact O-N 2.8Å; S61-G64 PolarHBondContact O-N 2.73Å
62P90Very high76.5Confident27 Ų2767.3 Ų67.318%0.17537%0.37CS..THydrogen-bonded Turntrans-45128.2172.3-29.528.6000112.8E201 L204 S205 H231 F232 D233P62-E201 WeakPolarHBondContact CB-O 3.35Å; P62-L204 HydrophobicContact CB-CB 4.4Å; P62-S205 WeakPolarHBondContact CA-OG 3.31Å; P62-H231 VanDerWaalsContact CD-O 3.27Å; P62-H231 WeakPolarHBondContact CD-O 3.32Å; P62-F232 HydrophobicContact CB-CD1 4.32Å; P62-F232 WeakPolarHBondContact O-CA 3.2Å; P62-D233 PolarHBondContact O-N 3.23Å
63G90.6Very high77.7Confident1 Ų165 Ų651%0.0135%0.352CS..THydrogen-bonded Turntrans89.8-13-17500000116.1S61 D65 L66 S205S61-G63 PolarHBondContact O-N 2.8Å; G63-D65 VanDerWaalsContact C-N 3.28Å; G63-D65 PolarHBondContact O-N 3.41Å; G63-L66 VanDerWaalsContact O-CB 3.3Å; G63-L66 WeakPolarHBondContact O-CB 3.43Å; G63-L66 VanDerWaalsContact O-CG 3.29Å; G63-L66 WeakPolarHBondContact O-CG 3.42Å; G63-L66 PolarHBondContact O-N 3.19Å; G63-L66 VanDerWaalsContact O-N 3.08Å; G63-S205 PolarHBondContact N-OG 3Å
64G91.5Very high79.6Confident22 Ų2265 Ų6523%0.22735%0.35CS..THydrogen-bonded Turntrans-61.8-31-174.900000114.7S61S61-G64 PolarHBondContact O-N 2.73Å
65D92.8Very high81.9Confident35 Ų3560.7 Ų60.719%0.18733%0.331CS..THydrogen-bonded Turntrans-95.95.7178.5-85.4-5.7000113.7K48 Y49 I60 G63 L68K48-D65 WeakPolarHBondContact CE-OD2 3.5Å; K48-D65 IonicContact NZ-OD2 2.59Å; K48-D65 PolarHBondContact NZ-OD2 3.07Å; Y49-D65 HydrophobicContact CE1-CB 3.99Å; Y49-D65 WeakPolarHBondContact OH-CB 3.22Å; Y49-D65 PolarHBondContact OH-OD2 3.33Å; I60-D65 WeakPolarHBondContact CD1-OD2 3.3Å; G63-D65 VanDerWaalsContact C-N 3.28Å; G63-D65 PolarHBondContact O-N 3.41Å; D65-L68 HydrophobicContact CB-CD1 3.95Å; D65-L68 HydrophobicContact CB-CG 4.43Å; D65-L68 VanDerWaalsContact O-CB 3.29Å; D65-L68 WeakPolarHBondContact O-CB 3.4Å; D65-L68 WeakPolarHBondContact O-CG 3.45Å; D65-L68 PolarHBondContact O-N 2.84Å
66L94.7Very high84.3Confident4 Ų459.5 Ų59.52%0.02132%0.321CS..G310 helixtrans-54.3-32.1176.9-73.5173.1000114.5G63 L68 F69 W73 L204 L207 T236 Y241G63-L66 VanDerWaalsContact O-CB 3.3Å; G63-L66 WeakPolarHBondContact O-CB 3.43Å; G63-L66 VanDerWaalsContact O-CG 3.29Å; G63-L66 WeakPolarHBondContact O-CG 3.42Å; G63-L66 PolarHBondContact O-N 3.19Å; G63-L66 VanDerWaalsContact O-N 3.08Å; L66-L68 PolarHBondContact O-N 3.11Å; L66-L68 VanDerWaalsContact O-N 3.11Å; L66-F69 PolarHBondContact O-N 2.84Å; L66-W73 HydrophobicContact CB-CZ2 4.15Å; L66-W73 HydrophobicContact CD2-CH2 3.7Å; L66-W73 HydrophobicContact CD2-CZ2 3.92Å; L66-W73 WeakPolarHBondContact O-CZ2 3.24Å; L66-L204 HydrophobicContact CD1-CD1 4.04Å; L66-L204 HydrophobicContact CD1-CG 4.24Å; L66-L207 HydrophobicContact CD1-CD1 3.71Å; L66-L207 HydrophobicContact CD2-CB 4.08Å; L66-L207 HydrophobicContact CD2-CD1 3.87Å; L66-L207 HydrophobicContact CD2-CG 4.32Å; L66-L207 HydrophobicContact CG-CD1 4.46Å; L66-T236 HydrophobicContact CD1-CG2 4.1Å; L66-Y241 HydrophobicContact CD1-CE1 4.03Å; L66-Y241 HydrophobicContact CD1-CE2 4.37Å
67P94.1Very high86.6Confident95 Ų9554 Ų5462%0.61730%0.299SS*.G310 helixtrans-56.1-23.9173.1-28.637.5000114.8F69 S70P67-F69 PolarHBondContact O-N 3.16Å; P67-S70 PolarHBondContact O-N 3.47Å; P67-S70 PolarHBondContact O-OG 3.12Å
68L92.9Very high88.7Confident77 Ų7748.3 Ų48.340%0.40328%0.275SS..G310 helixtrans-63.3-21.7175.4-63178.5000113.1D65 L66 R100D65-L68 HydrophobicContact CB-CD1 3.95Å; D65-L68 HydrophobicContact CB-CG 4.43Å; D65-L68 VanDerWaalsContact O-CB 3.29Å; D65-L68 WeakPolarHBondContact O-CB 3.4Å; D65-L68 WeakPolarHBondContact O-CG 3.45Å; D65-L68 PolarHBondContact O-N 2.84Å; L66-L68 PolarHBondContact O-N 3.11Å; L66-L68 VanDerWaalsContact O-N 3.11Å; L68-R100 PolarHBondContact O-NE 2.87Å; L68-R100 PolarHBondContact O-NH2 3.34Å
69F94.4Very high90.1Very high3 Ų349.8 Ų49.81%0.01329%0.286CS..G310 helixtrans-117.818.5-175.8-44.7-55.1000111.8L46 Y49 L66 P67 D71 L72 W73 R100 A101 P208L46-F69 HydrophobicContact CD2-CE2 3.88Å; L46-F69 HydrophobicContact CD2-CZ 4.12Å; Y49-F69 AromaticContact CE2-CE2 3.9Å; Y49-F69 HydrophobicContact CE2-CE2 3.9Å; Y49-F69 HydrophobicContact CE2-CZ 4.1Å; L66-F69 PolarHBondContact O-N 2.84Å; P67-F69 PolarHBondContact O-N 3.16Å; F69-D71 PolarHBondContact O-N 2.97Å; F69-L72 HydrophobicContact CB-CD1 3.96Å; F69-L72 HydrophobicContact CB-CG 4.32Å; F69-L72 WeakPolarHBondContact O-CB 3.29Å; F69-L72 WeakPolarHBondContact O-CG 3.21Å; F69-L72 PolarHBondContact O-N 3.05Å; F69-W73 HydrophobicContact CB-CH2 3.52Å; F69-W73 HydrophobicContact CB-CZ2 3.99Å; F69-W73 HydrophobicContact CB-CZ3 4.14Å; F69-W73 HydrophobicContact CD2-CH2 4.33Å; F69-W73 HydrophobicContact CG-CH2 4.42Å; F69-R100 HydrophobicContact CD1-CB 4.4Å; F69-R100 HydrophobicContact CE1-CB 4.18Å; F69-A101 HydrophobicContact CD1-CB 3.89Å; F69-A101 HydrophobicContact CE1-CB 3.9Å; F69-P208 HydrophobicContact CB-CG 4.45Å; F69-P208 HydrophobicContact CD2-CG 4.22Å; F69-P208 HydrophobicContact CG-CG 4.36Å
70S92.6Very high90.7Very high58 Ų5844 Ų4441%0.40627%0.265SS..G310 helixtrans-57.1-26.9-173580000114.2P67 L72P67-S70 PolarHBondContact O-N 3.47Å; P67-S70 PolarHBondContact O-OG 3.12Å; S70-L72 PolarHBondContact O-N 3.36Å
71D93.5Very high89.5Confident52 Ų5250.4 Ų50.428%0.27829%0.294SS..G310 helixtrans-73.4-8.5178.7-55.8-53.5000113.4F69 W73 Y94 A97 R100F69-D71 PolarHBondContact O-N 2.97Å; D71-W73 VanDerWaalsContact C-N 3.34Å; D71-Y94 WeakPolarHBondContact O-CD2 3.39Å; D71-A97 HydrophobicContact CB-CB 3.89Å; D71-R100 IonicContact OD2-NH2 3.91Å
72L94.4Very high88Confident6 Ų656 Ų563%0.03131%0.311CS..G310 helixtrans-81.3-13178.6-60.9-174.1000113.8F69 S70 Y94 A97 L98 A101 P208F69-L72 HydrophobicContact CB-CD1 3.96Å; F69-L72 HydrophobicContact CB-CG 4.32Å; F69-L72 WeakPolarHBondContact O-CB 3.29Å; F69-L72 WeakPolarHBondContact O-CG 3.21Å; F69-L72 PolarHBondContact O-N 3.05Å; S70-L72 PolarHBondContact O-N 3.36Å; L72-Y94 HydrophobicContact CB-CE2 4.42Å; L72-Y94 HydrophobicContact CD2-CD2 3.81Å; L72-Y94 HydrophobicContact CD2-CE2 3.63Å; L72-Y94 HydrophobicContact CD2-CG 4.35Å; L72-A97 HydrophobicContact CD2-CB 3.7Å; L72-A97 HydrophobicContact CG-CB 3.82Å; L72-L98 HydrophobicContact CD1-CD2 4.19Å; L72-L98 HydrophobicContact CD2-CB 4.42Å; L72-L98 HydrophobicContact CD2-CD2 3.71Å; L72-L98 HydrophobicContact CD2-CG 3.61Å; L72-A101 HydrophobicContact CD1-CB 4.38Å; L72-P208 HydrophobicContact CD1-CB 3.79Å; L72-P208 HydrophobicContact CD1-CG 3.87Å
73W94.2Very high86.4Confident13 Ų1361.9 Ų61.95%0.04934%0.34CS..  trans-152170.9-174.849.471.2000112.1L66 F69 D71 L88 L207 P208 Y241 H242 L243L66-W73 HydrophobicContact CB-CZ2 4.15Å; L66-W73 HydrophobicContact CD2-CH2 3.7Å; L66-W73 HydrophobicContact CD2-CZ2 3.92Å; L66-W73 WeakPolarHBondContact O-CZ2 3.24Å; F69-W73 HydrophobicContact CB-CH2 3.52Å; F69-W73 HydrophobicContact CB-CZ2 3.99Å; F69-W73 HydrophobicContact CB-CZ3 4.14Å; F69-W73 HydrophobicContact CD2-CH2 4.33Å; F69-W73 HydrophobicContact CG-CH2 4.42Å; D71-W73 VanDerWaalsContact C-N 3.34Å; W73-L88 VanDerWaalsContact C-CD1 3.44Å; W73-L88 WeakPolarHBondContact O-CD1 3.32Å; W73-L207 HydrophobicContact CH2-CB 4.39Å; W73-L207 HydrophobicContact CZ3-CB 4.23Å; W73-P208 HydrophobicContact CH2-CG 4.11Å; W73-P208 HydrophobicContact CZ3-CG 3.76Å; W73-Y241 AromaticContact CD1-CD1 3.76Å; W73-Y241 HydrophobicContact CD2-CD1 4.23Å; W73-Y241 AromaticContact CE2-CD1 3.81Å; W73-Y241 HydrophobicContact CG-CD1 4.19Å; W73-Y241 HydrophobicContact CZ2-CD1 4.39Å; W73-Y241 AromaticContact NE1-CD1 3.49Å; W73-Y241 AromaticContact NE1-CE1 3.85Å; W73-H242 WeakPolarHBondContact CA-O 3.27Å; W73-H242 WeakPolarHBondContact CB-O 3.32Å; W73-L243 HydrophobicContact CB-CD2 4.18Å; W73-L243 HydrophobicContact CD2-CD2 4.25Å; W73-L243 HydrophobicContact CE3-CD2 3.57Å; W73-L243 HydrophobicContact CZ3-CD2 4.28Å
74T93.5Very high84.8Confident31 Ų3162.7 Ų62.719%0.1935%0.347CS..EExtended strand (participates in β ladder)trans-109156.8162.159.50000109.4A84 L88 H242T74-A84 WeakPolarHBondContact OG1-CB 3.27Å; T74-L88 HydrophobicContact CG2-CD1 3.77Å; T74-L88 HydrophobicContact CG2-CG 4.48Å; T74-H242 PolarHBondContact N-O 3.38Å; T74-H242 PolarHBondContact O-CD2 2.82Å; T74-H242 PolarHBondContact O-N 2.68Å; T74-H242 WeakPolarHBondContact OG1-CB 3.33Å
75T93.7Very high82.9Confident82 Ų8267.2 Ų67.250%0.50337%0.372SS..EExtended strand (participates in β ladder)trans-119.1141.9179.156.50000111.9I239 V240 Y241T75-I239 HydrophobicContact CG2-CG2 3.99Å; T75-V240 CarbonylContact C-O 3.55Å; T75-V240 VanDerWaalsContact CA-O 3.26Å; T75-V240 WeakPolarHBondContact CA-O 3.38Å; T75-Y241 HydrophobicContact CG2-CD1 3.75Å; T75-Y241 HydrophobicContact CG2-CE1 3.9Å
76T94.1Very high81.2Confident29 Ų2967.5 Ų67.518%0.17838%0.375CS..EExtended strand (participates in β ladder)trans-132.4-177.9165.1630000108.9A84 V240 H242T76-A84 HydrophobicContact CG2-CB 4.12Å; T76-V240 PolarHBondContact N-O 3.01Å; T76-V240 PolarHBondContact O-N 3.24Å; T76-H242 PolarHBondContact OG1-NE2 3.42Å
77T92.6Very high79.3Confident55 Ų5573 Ų7334%0.33741%0.409SS..EExtended strand (participates in β ladder)trans-104.1154.5171.363.90000110.6D79 S80 R238 I239T77-D79 PolarHBondContact O-N 3.27Å; T77-S80 WeakPolarHBondContact O-CB 3.21Å; T77-S80 PolarHBondContact O-N 3.5Å; T77-S80 PolarHBondContact OG1-N 3.46Å; T77-S80 PolarHBondContact OG1-OG 3.17Å; T77-R238 CarbonylContact C-O 3.59Å; T77-R238 VanDerWaalsContact CA-O 3.31Å; T77-R238 WeakPolarHBondContact CA-O 3.31Å; T77-I239 HydrophobicContact CG2-CD1 4.27Å
78I88.2Confident77.8Confident55 Ų5571 Ų7128%0.28239%0.393SS..THydrogen-bonded Turntrans-57.4-33.5177.1-68.3179.5000111.2S80 R238 V240 V251I78-S80 VanDerWaalsContact C-N 3.3Å; I78-S80 PolarHBondContact O-N 3.1Å; I78-R238 PolarHBondContact N-O 2.99Å; I78-V240 HydrophobicContact CB-CG2 4.39Å; I78-V240 HydrophobicContact CG1-CG2 3.68Å; I78-V251 WeakPolarHBondContact CD1-O 3.38Å
79D81.8Confident76.4Confident107 Ų10770.6 Ų70.657%0.57240%0.396SS*.THydrogen-bonded Turntrans-80.6-5.3179.6-60.6-56.5000113.8T77 R238T77-D79 PolarHBondContact O-N 3.27Å; D79-R238 IonicContact OD2-NH1 3.84Å
80S77Confident75.2Confident55 Ų5575.2 Ų75.239%0.38543%0.429SS..  trans-88.5123.6179.8-70.20000112.1T77 I78 K82T77-S80 WeakPolarHBondContact O-CB 3.21Å; T77-S80 PolarHBondContact O-N 3.5Å; T77-S80 PolarHBondContact OG1-N 3.46Å; T77-S80 PolarHBondContact OG1-OG 3.17Å; I78-S80 VanDerWaalsContact C-N 3.3Å; I78-S80 PolarHBondContact O-N 3.1Å; S80-K82 PolarHBondContact O-N 3.35Å
81E54.4Low74.7Confident198 Ų19874 Ų7493%0.92542%0.42SS*.  trans-74-3.3173.1-67.7-174.5166.100114.4L83E81-L83 PolarHBondContact O-N 2.94Å
82K56.5Low74.4Confident171 Ų17176.5 Ų76.574%0.74344%0.44SS*.PPolyproline II helixtrans-73.5125.9-174.8-68-176.6-179.8177.90111.2S80 A84S80-K82 PolarHBondContact O-N 3.35Å; K82-A84 PolarHBondContact O-N 3.11Å
83L57.5Low74.2Confident150 Ų15078.6 Ų78.679%0.78546%0.455SS*.PPolyproline II helixtrans-65.4128.9159.4-87.6107.8000109.2E81E81-L83 PolarHBondContact O-N 2.94Å
84A56.1Low74.1Confident19 Ų1978.4 Ų78.416%0.15745%0.454CS..PPolyproline II helixtrans-69.7140.3176.500000111T74 T76 K82 V86 H242T74-A84 WeakPolarHBondContact OG1-CB 3.27Å; T76-A84 HydrophobicContact CG2-CB 4.12Å; K82-A84 PolarHBondContact O-N 3.11Å; A84-V86 HydrophobicContact CB-CG2 4.24Å; A84-V86 PolarHBondContact O-N 3.22Å; A84-H242 HydrophobicContact CB-CB 4.43Å
85P52.3Low74.1Confident116 Ų11682.1 Ų82.175%0.75347%0.469SS*.PPolyproline II helixtrans-71.4121168.427.8-29.5000109
86V56.2Low74.1Confident42 Ų4282.3 Ų82.326%0.25547%0.467SS..  trans-131.8111.7179.8-174.90000111.7A84 H242A84-V86 HydrophobicContact CB-CG2 4.24Å; A84-V86 PolarHBondContact O-N 3.22Å; V86-H242 HydrophobicContact CG2-CB 4.37Å
87T55.2Low74.2Confident119 Ų11980.9 Ų80.973%0.7346%0.459SS*.  -151.1105127-490000107.6S89T87-S89 VanDerWaalsContact CG2-OG 3.23Å; T87-S89 WeakPolarHBondContact CG2-OG 3.2Å
88L62.2Low74.3Confident54 Ų5478.7 Ų78.728%0.28345%0.445SS..  trans-99.4-8.9172.1-77.2165000112.7W73 T74 S90 S91 Y94W73-L88 VanDerWaalsContact C-CD1 3.44Å; W73-L88 WeakPolarHBondContact O-CD1 3.32Å; T74-L88 HydrophobicContact CG2-CD1 3.77Å; T74-L88 HydrophobicContact CG2-CG 4.48Å; L88-S90 PolarHBondContact O-N 3.12Å; L88-S91 PolarHBondContact O-OG 3.05Å; L88-Y94 HydrophobicContact CB-CD2 4.26Å; L88-Y94 WeakPolarHBondContact O-CB 3.42Å
89S64.4Low74.7Confident67 Ų6778.8 Ų78.847%0.46945%0.448SS..THydrogen-bonded Turntrans-62133.6-178.4570000110.4T87T87-S89 VanDerWaalsContact CG2-OG 3.23Å; T87-S89 WeakPolarHBondContact CG2-OG 3.2Å
90S68.5Low75.3Confident101 Ų10177.6 Ų77.671%0.70644%0.435SS*.THydrogen-bonded Turntrans75.424.2177.483.20000117.8L88L88-S90 PolarHBondContact O-N 3.12Å
91S82.9Confident76.3Confident31 Ų3175 Ų7522%0.21742%0.417CS..  trans-88.5148.8162.8640000111.4L88 S93 Y94 E95L88-S91 PolarHBondContact O-OG 3.05Å; S91-S93 PolarHBondContact O-N 3.43Å; S91-S93 PolarHBondContact OG-OG 3.32Å; S91-S93 VanDerWaalsContact OG-OG 3.13Å; S91-Y94 WeakPolarHBondContact O-CB 3.46Å; S91-Y94 PolarHBondContact O-N 3.23Å; S91-Y94 VanDerWaalsContact OG-CB 3.22Å; S91-Y94 WeakPolarHBondContact OG-CB 3.27Å; S91-Y94 PolarHBondContact OG-N 3.32Å; S91-E95 PolarHBondContact O-N 3.18Å; S91-E95 VanDerWaalsContact O-N 3.12Å
92P86.5Confident78.3Confident106 Ų10665.7 Ų65.769%0.68837%0.374SS*.Hα-helixtrans-56.6-32.6174.2-26.534.8000113.6D96P92-D96 WeakPolarHBondContact O-CB 3.42Å; P92-D96 PolarHBondContact O-N 2.88Å
93S91.2Very high80.1Confident49 Ų4959 Ų5934%0.34335%0.347SS..Hα-helixtrans-69.5-37.2175.951.70000112.6S91 A97S91-S93 PolarHBondContact O-N 3.43Å; S91-S93 PolarHBondContact OG-OG 3.32Å; S91-S93 VanDerWaalsContact OG-OG 3.13Å; S93-A97 WeakPolarHBondContact O-CB 3.22Å; S93-A97 PolarHBondContact O-N 2.79Å
94Y92.3Very high81.9Confident10 Ų1053.2 Ų53.24%0.03932%0.319CS..Hα-helixtrans-64.5-44.4174.5177.5-88.9000111.6D71 L72 L88 S91 A97 L98 K211D71-Y94 WeakPolarHBondContact O-CD2 3.39Å; L72-Y94 HydrophobicContact CB-CE2 4.42Å; L72-Y94 HydrophobicContact CD2-CD2 3.81Å; L72-Y94 HydrophobicContact CD2-CE2 3.63Å; L72-Y94 HydrophobicContact CD2-CG 4.35Å; L88-Y94 HydrophobicContact CB-CD2 4.26Å; L88-Y94 WeakPolarHBondContact O-CB 3.42Å; S91-Y94 WeakPolarHBondContact O-CB 3.46Å; S91-Y94 PolarHBondContact O-N 3.23Å; S91-Y94 VanDerWaalsContact OG-CB 3.22Å; S91-Y94 WeakPolarHBondContact OG-CB 3.27Å; S91-Y94 PolarHBondContact OG-N 3.32Å; Y94-A97 PolarHBondContact O-N 2.91Å; Y94-L98 HydrophobicContact CD1-CD1 4Å; Y94-L98 HydrophobicContact CD1-CG 4.41Å; Y94-L98 HydrophobicContact CE1-CD1 3.31Å; Y94-L98 HydrophobicContact CE1-CG 3.92Å; Y94-L98 PolarHBondContact O-N 3.42Å; Y94-K211 VanDerWaalsContact OH-CE 3.32Å; Y94-K211 WeakPolarHBondContact OH-CE 3.48Å; Y94-K211 PolarHBondContact OH-NZ 2.83Å
95E92.1Very high83.6Confident108 Ų10856.1 Ų56.151%0.50534%0.336SS..Hα-helixtrans-61.9-45.7176.7-68.7176.5-174.600111.6S91 A97 L98 V99S91-E95 PolarHBondContact O-N 3.18Å; S91-E95 VanDerWaalsContact O-N 3.12Å; E95-A97 PolarHBondContact O-N 3.29Å; E95-L98 WeakPolarHBondContact O-CB 3.15Å; E95-L98 PolarHBondContact O-N 3.33Å; E95-V99 WeakPolarHBondContact O-CG2 3.42Å; E95-V99 PolarHBondContact O-N 2.91Å
96D94.3Very high85.5Confident86 Ų8654.6 Ų54.646%0.4633%0.328SS..Hα-helixtrans-60.9-41.8176.4179.638000111.9P92 L98 V99 R100P92-D96 WeakPolarHBondContact O-CB 3.42Å; P92-D96 PolarHBondContact O-N 2.88Å; D96-L98 PolarHBondContact O-N 3.18Å; D96-V99 PolarHBondContact O-N 3.19Å; D96-R100 WeakPolarHBondContact O-CG 3.27Å; D96-R100 PolarHBondContact O-N 3.48Å; D96-R100 IonicContact OD1-NH1 3.84Å; D96-R100 PolarHBondContact OD1-NH1 2.82Å; D96-R100 IonicContact OD2-CZ 3.63Å; D96-R100 IonicContact OD2-NH1 2.81Å; D96-R100 PolarHBondContact OD2-NH1 2.91Å
97A95.6Very high87.3Confident0 Ų053.2 Ų53.20%032%0.32CS..Hα-helixtrans-64.5-36.1173.900000113.3D71 L72 S93 Y94 E95 R100 A101D71-A97 HydrophobicContact CB-CB 3.89Å; L72-A97 HydrophobicContact CD2-CB 3.7Å; L72-A97 HydrophobicContact CG-CB 3.82Å; S93-A97 WeakPolarHBondContact O-CB 3.22Å; S93-A97 PolarHBondContact O-N 2.79Å; Y94-A97 PolarHBondContact O-N 2.91Å; E95-A97 PolarHBondContact O-N 3.29Å; A97-R100 PolarHBondContact O-N 3.1Å; A97-A101 WeakPolarHBondContact O-CB 3.45Å; A97-A101 PolarHBondContact O-N 2.93Å
98L95.1Very high89.2Confident8 Ų847.7 Ų47.74%0.04229%0.286CS..Hα-helixtrans-66.4-41.5173.2-79.5-180000111.8L72 Y94 E95 D96 R100 A101 F102 A108 S112L72-L98 HydrophobicContact CD1-CD2 4.19Å; L72-L98 HydrophobicContact CD2-CB 4.42Å; L72-L98 HydrophobicContact CD2-CD2 3.71Å; L72-L98 HydrophobicContact CD2-CG 3.61Å; Y94-L98 HydrophobicContact CD1-CD1 4Å; Y94-L98 HydrophobicContact CD1-CG 4.41Å; Y94-L98 HydrophobicContact CE1-CD1 3.31Å; Y94-L98 HydrophobicContact CE1-CG 3.92Å; Y94-L98 PolarHBondContact O-N 3.42Å; E95-L98 WeakPolarHBondContact O-CB 3.15Å; E95-L98 PolarHBondContact O-N 3.33Å; D96-L98 PolarHBondContact O-N 3.18Å; L98-R100 VanDerWaalsContact C-N 3.33Å; L98-A101 PolarHBondContact O-N 2.91Å; L98-F102 HydrophobicContact CD2-CD2 4.26Å; L98-F102 HydrophobicContact CD2-CE2 3.98Å; L98-F102 PolarHBondContact O-N 2.89Å; L98-A108 HydrophobicContact CB-CB 4.05Å; L98-S112 VanDerWaalsContact CD1-CB 3.46Å
99V95.7Very high90.6Very high57 Ų5749 Ų4935%0.34530%0.296SS..Hα-helixtrans-62.5-41.8175.5173.40000110.4E95 D96 A101 V103 A108E95-V99 WeakPolarHBondContact O-CG2 3.42Å; E95-V99 PolarHBondContact O-N 2.91Å; D96-V99 PolarHBondContact O-N 3.19Å; V99-A101 VanDerWaalsContact C-N 3.33Å; V99-A101 PolarHBondContact O-N 3.16Å; V99-V103 WeakPolarHBondContact O-CA 3.35Å; V99-V103 PolarHBondContact O-N 3.04Å; V99-A108 HydrophobicContact CG2-CB 3.84Å
100R95.9Very high92Very high83 Ų8347.9 Ų47.931%0.31328%0.284SS..Hα-helixtrans-62.4-38.3173.2-71.9-167.4-62.2-84.97113G45 L68 F69 D71 D96 A97 L98G45-R100 WeakPolarHBondContact CA-O 3.45Å; L68-R100 PolarHBondContact O-NE 2.87Å; L68-R100 PolarHBondContact O-NH2 3.34Å; F69-R100 HydrophobicContact CD1-CB 4.4Å; F69-R100 HydrophobicContact CE1-CB 4.18Å; D71-R100 IonicContact OD2-NH2 3.91Å; D96-R100 WeakPolarHBondContact O-CG 3.27Å; D96-R100 PolarHBondContact O-N 3.48Å; D96-R100 IonicContact OD1-NH1 3.84Å; D96-R100 PolarHBondContact OD1-NH1 2.82Å; D96-R100 IonicContact OD2-CZ 3.63Å; D96-R100 IonicContact OD2-NH1 2.81Å; D96-R100 PolarHBondContact OD2-NH1 2.91Å; A97-R100 PolarHBondContact O-N 3.1Å; L98-R100 VanDerWaalsContact C-N 3.33Å
101A96.6Very high93.2Very high0 Ų043.9 Ų43.90%026%0.255CS..Hα-helixtrans-69.3-53.5-179.200000111.7G45 L46 F69 L72 A97 L98 V99 P208G45-A101 WeakPolarHBondContact CA-O 3.45Å; L46-A101 HydrophobicContact CD1-CB 3.97Å; L46-A101 HydrophobicContact CG-CB 4.06Å; L46-A101 WeakPolarHBondContact CG-O 3.39Å; L46-A101 PolarHBondContact N-O 3.11Å; F69-A101 HydrophobicContact CD1-CB 3.89Å; F69-A101 HydrophobicContact CE1-CB 3.9Å; L72-A101 HydrophobicContact CD1-CB 4.38Å; A97-A101 WeakPolarHBondContact O-CB 3.45Å; A97-A101 PolarHBondContact O-N 2.93Å; L98-A101 PolarHBondContact O-N 2.91Å; V99-A101 VanDerWaalsContact C-N 3.33Å; V99-A101 PolarHBondContact O-N 3.16Å; A101-P208 HydrophobicContact CB-CB 4.48Å; A101-P208 HydrophobicContact CB-CG 4.43Å
102F96.4Very high93.6Very high3 Ų344.9 Ų44.91%0.01326%0.262CS..Hα-helixtrans-90-15.9-174.5-70.6-76.9000114.1L46 W47 L98 S104 L107 M111 L158 L161L46-F102 HydrophobicContact CD1-CE1 4.35Å; L46-F102 HydrophobicContact CD1-CZ 4.44Å; W47-F102 PolarHBondContact NE1-O 3.31Å; L98-F102 HydrophobicContact CD2-CD2 4.26Å; L98-F102 HydrophobicContact CD2-CE2 3.98Å; L98-F102 PolarHBondContact O-N 2.89Å; F102-S104 PolarHBondContact O-N 2.95Å; F102-L107 HydrophobicContact CB-CB 4.18Å; F102-M111 HydrophobicContact CD1-CG 4.48Å; F102-M111 HydrophobicContact CD2-CB 4.4Å; F102-M111 HydrophobicContact CD2-CG 4.45Å; F102-M111 HydrophobicContact CE1-CG 4.08Å; F102-M111 HydrophobicContact CE2-CB 3.9Å; F102-M111 HydrophobicContact CE2-CG 4.04Å; F102-M111 HydrophobicContact CZ-CB 4.13Å; F102-M111 HydrophobicContact CZ-CE 4.41Å; F102-M111 HydrophobicContact CZ-CG 3.84Å; F102-L158 HydrophobicContact CD1-CD1 3.94Å; F102-L158 HydrophobicContact CE1-CD1 3.79Å; F102-L161 HydrophobicContact CD1-CD1 4.24Å; F102-L161 HydrophobicContact CE1-CD1 4.31Å
103V95.8Very high93.9Very high30 Ų3044.4 Ų44.418%0.18225%0.253CS..SBendtrans66.3-31.4-179.7-172.20000114G40 V41 Q44 V99 P105G40-V103 WeakPolarHBondContact O-CG1 3.49Å; V41-V103 HydrophobicContact CG1-CB 4.17Å; Q44-V103 VanDerWaalsContact C-CG2 3.49Å; Q44-V103 HydrophobicContact CB-CB 4.38Å; Q44-V103 HydrophobicContact CB-CG1 3.94Å; Q44-V103 HydrophobicContact CB-CG2 3.56Å; V99-V103 WeakPolarHBondContact O-CA 3.35Å; V99-V103 PolarHBondContact O-N 3.04Å; V103-P105 WeakPolarHBondContact O-CD 3.31Å
104S94Very high93.8Very high28 Ų2846.5 Ų46.520%0.19627%0.267CS..  trans-89.5118.3173.4171.50000110.7F102 S106 L107 A108F102-S104 PolarHBondContact O-N 2.95Å; S104-S106 VanDerWaalsContact C-N 3.25Å; S104-S106 PolarHBondContact O-N 3.26Å; S104-L107 PolarHBondContact O-N 2.99Å; S104-L107 PolarHBondContact OG-N 3.48Å; S104-A108 WeakPolarHBondContact O-CB 3.44Å; S104-A108 PolarHBondContact O-N 3.19Å
105P92.7Very high93.7Very high81 Ų8147.5 Ų47.553%0.52628%0.275SS..Hα-helixtrans-56.4-38.9174.9-27.135.8000112.9V103 L107 A108 V109V103-P105 WeakPolarHBondContact O-CD 3.31Å; P105-L107 PolarHBondContact O-N 2.8Å; P105-A108 PolarHBondContact O-N 3.26Å; P105-V109 VanDerWaalsContact O-CG2 3.31Å; P105-V109 WeakPolarHBondContact O-CG2 3.22Å; P105-V109 PolarHBondContact O-N 3.33Å
106S92.3Very high93.2Very high84 Ų8448.1 Ų48.159%0.58728%0.281SS*.Hα-helixtrans-63.7-42178.3-52.20000112S104 I110S104-S106 VanDerWaalsContact C-N 3.25Å; S104-S106 PolarHBondContact O-N 3.26Å; S106-I110 WeakPolarHBondContact O-CG1 3.45Å; S106-I110 PolarHBondContact O-N 3.2Å
107L93.9Very high92.5Very high13 Ų1348.9 Ų48.97%0.06828%0.279CS..Hα-helixtrans-68.8-42.9175.1-64.3-179.6000111.1W47 F102 S104 P105 V109 I110 M111 L146 N156 L158W47-L107 HydrophobicContact CZ2-CD1 3.98Å; F102-L107 HydrophobicContact CB-CB 4.18Å; S104-L107 PolarHBondContact O-N 2.99Å; S104-L107 PolarHBondContact OG-N 3.48Å; P105-L107 PolarHBondContact O-N 2.8Å; L107-V109 VanDerWaalsContact C-N 3.3Å; L107-V109 PolarHBondContact O-N 3.39Å; L107-I110 PolarHBondContact O-N 3.18Å; L107-M111 VanDerWaalsContact O-CB 3.32Å; L107-M111 WeakPolarHBondContact O-CB 3.21Å; L107-M111 WeakPolarHBondContact O-CG 3.41Å; L107-M111 PolarHBondContact O-N 3.08Å; L107-L146 HydrophobicContact CD2-CD2 4.01Å; L107-N156 WeakPolarHBondContact CD2-OD1 3.32Å; L107-L158 HydrophobicContact CD1-CD1 4.38Å; L107-L158 HydrophobicContact CD2-CD2 4.49Å
108A94.2Very high91.7Very high3 Ų356.2 Ų56.23%0.02532%0.318CS..Hα-helixtrans-56.8-44.5176.600000111.7L98 V99 S104 P105 S112L98-A108 HydrophobicContact CB-CB 4.05Å; V99-A108 HydrophobicContact CG2-CB 3.84Å; S104-A108 WeakPolarHBondContact O-CB 3.44Å; S104-A108 PolarHBondContact O-N 3.19Å; P105-A108 PolarHBondContact O-N 3.26Å; A108-S112 WeakPolarHBondContact O-CB 3.49Å; A108-S112 PolarHBondContact O-N 3.2Å
109V93.1Very high90.7Very high82 Ų8257.8 Ų57.850%0.49733%0.329SS..Hα-helixtrans-61.7-53.1175.3170.30000110.7P105 L107 M111 S112 L113P105-V109 VanDerWaalsContact O-CG2 3.31Å; P105-V109 WeakPolarHBondContact O-CG2 3.22Å; P105-V109 PolarHBondContact O-N 3.33Å; L107-V109 VanDerWaalsContact C-N 3.3Å; L107-V109 PolarHBondContact O-N 3.39Å; V109-M111 VanDerWaalsContact C-N 3.31Å; V109-M111 PolarHBondContact O-N 3.04Å; V109-S112 WeakPolarHBondContact O-CB 3.05Å; V109-S112 PolarHBondContact O-N 3.25Å; V109-S112 PolarHBondContact O-OG 2.72Å; V109-L113 HydrophobicContact CG1-CD1 3.97Å; V109-L113 WeakPolarHBondContact O-CG 3.23Å; V109-L113 PolarHBondContact O-N 3.44Å
110I92.9Very high89.5Confident43 Ų4357.8 Ų57.822%0.22133%0.33CS..Hα-helixtrans-57.8-46.7-179.3-68.9170.4000110.7S106 L107 S112 L113 R144 L146S106-I110 WeakPolarHBondContact O-CG1 3.45Å; S106-I110 PolarHBondContact O-N 3.2Å; L107-I110 PolarHBondContact O-N 3.18Å; I110-S112 PolarHBondContact O-N 3.35Å; I110-L113 PolarHBondContact O-N 3.01Å; I110-L113 VanDerWaalsContact O-N 3.13Å; I110-R144 HydrophobicContact CG2-CG 4.21Å; I110-R144 VanDerWaalsContact O-CZ 3.25Å; I110-R144 PolarHBondContact O-NH1 2.93Å; I110-R144 PolarHBondContact O-NH2 3.35Å; I110-R144 VanDerWaalsContact O-NH2 3.07Å; I110-L146 HydrophobicContact CB-CD2 4.48Å; I110-L146 HydrophobicContact CD1-CD2 3.85Å; I110-L146 HydrophobicContact CG2-CD2 3.84Å; I110-L146 HydrophobicContact CG2-CG 4.31Å
111M93.6Very high88.1Confident16 Ų1654.1 Ų54.18%0.07932%0.318CS..Hα-helixtrans-68.8-17-179.9-62.5-50.6-63.600113.6F102 L107 V109 R144 L158 L162 E212F102-M111 HydrophobicContact CD1-CG 4.48Å; F102-M111 HydrophobicContact CD2-CB 4.4Å; F102-M111 HydrophobicContact CD2-CG 4.45Å; F102-M111 HydrophobicContact CE1-CG 4.08Å; F102-M111 HydrophobicContact CE2-CB 3.9Å; F102-M111 HydrophobicContact CE2-CG 4.04Å; F102-M111 HydrophobicContact CZ-CB 4.13Å; F102-M111 HydrophobicContact CZ-CE 4.41Å; F102-M111 HydrophobicContact CZ-CG 3.84Å; L107-M111 VanDerWaalsContact O-CB 3.32Å; L107-M111 WeakPolarHBondContact O-CB 3.21Å; L107-M111 WeakPolarHBondContact O-CG 3.41Å; L107-M111 PolarHBondContact O-N 3.08Å; V109-M111 VanDerWaalsContact C-N 3.31Å; V109-M111 PolarHBondContact O-N 3.04Å; M111-R144 PolarHBondContact O-NH2 2.93Å; M111-L158 HydrophobicContact SD-CD2 3.75Å; M111-L162 HydrophobicContact CE-CD1 4.4Å; M111-L162 HydrophobicContact CE-CD2 4.25Å; M111-E212 HydrophobicContact CE-CB 4.39Å; M111-E212 HydrophobicContact CE-CG 4.4Å; M111-E212 WeakPolarHBondContact CE-OE2 3.42Å
112S91.6Very high86.6Confident52 Ų5260.5 Ų60.536%0.36436%0.359SS..Hα-helixtrans-82.9-23.9173.278.20000113.7L98 A108 V109 I110L98-S112 VanDerWaalsContact CD1-CB 3.46Å; A108-S112 WeakPolarHBondContact O-CB 3.49Å; A108-S112 PolarHBondContact O-N 3.2Å; V109-S112 WeakPolarHBondContact O-CB 3.05Å; V109-S112 PolarHBondContact O-N 3.25Å; V109-S112 PolarHBondContact O-OG 2.72Å; I110-S112 PolarHBondContact O-N 3.35Å
113L91.8Very high85.6Confident97 Ų9763.9 Ų63.951%0.50838%0.378SS..SBendtrans-91.9154.1-174.7-64.7173.3000111.2V109 I110 R144V109-L113 HydrophobicContact CG1-CD1 3.97Å; V109-L113 WeakPolarHBondContact O-CG 3.23Å; V109-L113 PolarHBondContact O-N 3.44Å; I110-L113 PolarHBondContact O-N 3.01Å; I110-L113 VanDerWaalsContact O-N 3.13Å; L113-R144 PolarHBondContact O-NH1 3.46Å; L113-R144 PolarHBondContact O-NH2 2.8Å
114S90.3Very high84.6Confident92 Ų9265 Ų6564%0.64338%0.382SS*.PPolyproline II helixtrans-58.6150.6164.4-62.90000110.7
115P90.3Very high83.8Confident32 Ų3271.8 Ų71.821%0.20841%0.411CS..PPolyproline II helixtrans-53.2144.9172-22.630.7000112.3W143 H215P115-W143 HydrophobicContact CB-CD2 3.99Å; P115-W143 VanDerWaalsContact CB-CE2 3.4Å; P115-W143 HydrophobicContact CB-CH2 4.14Å; P115-W143 HydrophobicContact CB-CZ2 3.57Å; P115-W143 HydrophobicContact CG-CD2 4.38Å; P115-W143 HydrophobicContact CG-CH2 3.46Å; P115-W143 VanDerWaalsContact CG-CH2 3.46Å; P115-W143 HydrophobicContact CG-CZ2 3.16Å; P115-W143 HydrophobicContact CG-CZ3 4.16Å; P115-H215 HydrophobicContact CG-CB 3.83Å
116L80.4Confident83.4Confident121 Ų12173.9 Ų73.963%0.63441%0.414SS*.SBendtrans-86.3-31-169.2-172.664.4000113.3W143L116-W143 PolarHBondContact N-O 3.2Å
117Y80.6Confident83.2Confident102 Ų10273.3 Ų73.340%0.441%0.408SS..SBendtrans-117.5158.3-173.2-57.7-78.9000112K142 W143 P149Y117-K142 WeakPolarHBondContact CD2-O 3.14Å; Y117-K142 WeakPolarHBondContact CE2-O 3.32Å; Y117-W143 PolarHBondContact N-O 2.83Å; Y117-W143 PolarHBondContact O-NE1 3.08Å; Y117-P149 HydrophobicContact CE1-CG 4.14Å
118D78.1Confident83.2Confident153 Ų15373.2 Ų73.282%0.81841%0.409SS*.  trans-69.6169.4170.4-68.6-45000111.7
119S74.2Confident83.2Confident41 Ų4173.3 Ų73.329%0.28741%0.408SS..  trans-51.1125.7178.4-177.20000111.2A121 N133S119-A121 PolarHBondContact O-N 2.72Å; S119-A121 PolarHBondContact OG-O 2.89Å; S119-N133 PolarHBondContact OG-N 2.76Å
120P70.2Confident83.3Confident57 Ų5769.5 Ų69.537%0.3739%0.386SS..SBendtrans-67.9-22.2178.627.1-32.3000112.2L134 D139P120-L134 HydrophobicContact CG-CD2 4.15Å; P120-D139 HydrophobicContact CG-CB 3.92Å
121A67.1Low83.1Confident7 Ų771.1 Ų71.16%0.05840%0.395CS..  trans-116.1119.8179.200000110.7S119 D123 N133S119-A121 PolarHBondContact O-N 2.72Å; S119-A121 PolarHBondContact OG-O 2.89Å; A121-D123 VanDerWaalsContact C-N 3.28Å; A121-D123 VanDerWaalsContact CB-OD1 3.3Å; A121-D123 WeakPolarHBondContact CB-OD1 3.4Å; A121-D123 PolarHBondContact O-N 2.68Å; A121-N133 HydrophobicContact CB-CB 4.03Å
122P65.7Low83Confident133 Ų13370.6 Ų70.686%0.86439%0.392SS*.  trans-82.12.6-17631.5-34.7000114.4
123D73.8Confident83.1Confident75 Ų7568.6 Ų68.640%0.40138%0.377SS..  trans-98.325.9-167.465.6-33.2000114.6A121 Q125 N133 R135A121-D123 VanDerWaalsContact C-N 3.28Å; A121-D123 VanDerWaalsContact CB-OD1 3.3Å; A121-D123 WeakPolarHBondContact CB-OD1 3.4Å; A121-D123 PolarHBondContact O-N 2.68Å; D123-Q125 PolarHBondContact O-N 2.95Å; D123-N133 PolarHBondContact OD1-ND2 2.77Å; D123-R135 IonicContact OD1-NH2 3.54Å; D123-R135 IonicContact OD2-CZ 3.55Å; D123-R135 IonicContact OD2-NH2 3.78Å; D123-R135 PolarHBondContact OD2-NH2 2.86Å
124L76.8Confident83.2Confident52 Ų5264 Ų6427%0.27235%0.353SS..  trans-56.1107.4173.5-83156.7000110.4E126 V130 N131 N133L124-E126 PolarHBondContact O-N 2.9Å; L124-V130 HydrophobicContact CD2-CG2 3.95Å; L124-N131 WeakPolarHBondContact CD1-O 3.37Å; L124-N133 HydrophobicContact CD2-CB 3.87Å; L124-N133 HydrophobicContact CG-CB 3.79Å
125Q76.7Confident83.3Confident172 Ų17266 Ų6680%0.80435%0.347SS*.PPolyproline II helixtrans-73.1122.7174.2-65.8-175.56.800109.3D123 S128D123-Q125 PolarHBondContact O-N 2.95Å; Q125-S128 WeakPolarHBondContact O-CB 3.31Å
126E84Confident83.5Confident124 Ų12467.6 Ų67.658%0.57935%0.353SS*.SBendtrans-89.9143173.5-72.1-69.9176.200110.7L124 S128 K218L124-E126 PolarHBondContact O-N 2.9Å; E126-S128 PolarHBondContact OE2-N 3.13Å; E126-K218 IonicContact OE1-NZ 3.15Å; E126-K218 PolarHBondContact OE1-NZ 3.46Å; E126-K218 IonicContact OE2-NZ 2.7Å; E126-K218 PolarHBondContact OE2-NZ 2.85Å
127P88.6Confident84.3Confident72 Ų7261.9 Ų61.947%0.46832%0.323SS..SBendcis-78.6134.33.631.3-33.9000113.5I184 P185 L188P127-I184 HydrophobicContact CB-CG2 4.2Å; P127-I184 HydrophobicContact CG-CG2 4.4Å; P127-I184 WeakPolarHBondContact O-CG2 2.99Å; P127-P185 HydrophobicContact CG-CG 4.2Å; P127-L188 HydrophobicContact CB-CD1 3.73Å
128S92.3Very high84.9Confident12 Ų1258.6 Ų58.68%0.08431%0.313CS..  trans-125153.4175.6179.20000112.9Q125 E126 V130 K218Q125-S128 WeakPolarHBondContact O-CB 3.31Å; E126-S128 PolarHBondContact OE2-N 3.13Å; S128-V130 VanDerWaalsContact OG-CG2 3.23Å; S128-V130 WeakPolarHBondContact OG-CG2 3.2Å; S128-V130 PolarHBondContact OG-N 2.85Å; S128-V130 VanDerWaalsContact OG-N 3.16Å; S128-K218 VanDerWaalsContact O-CD 3.22Å; S128-K218 WeakPolarHBondContact O-CD 3.33Å; S128-K218 WeakPolarHBondContact O-CE 3.38Å; S128-K218 PolarHBondContact O-NZ 2.67Å
129L95.1Very high85.7Confident4 Ų452.8 Ų52.82%0.02128%0.282CS..SBendtrans-89.3-13.1172.5-60.2-179.8000113.2V172 L176 I184 I187 L188 L193 K218 L221L129-V172 HydrophobicContact CB-CG1 4.17Å; L129-V172 HydrophobicContact CD1-CG1 3.66Å; L129-V172 HydrophobicContact CG-CG1 4.49Å; L129-L176 HydrophobicContact CD1-CD2 4.47Å; L129-I184 HydrophobicContact CD1-CD1 3.67Å; L129-I184 HydrophobicContact CD2-CG2 3.99Å; L129-I184 HydrophobicContact CG-CD1 3.92Å; L129-I184 HydrophobicContact CG-CG2 3.99Å; L129-I187 HydrophobicContact CD1-CD1 3.9Å; L129-I187 HydrophobicContact CD1-CG2 4.07Å; L129-I187 HydrophobicContact CD2-CB 3.92Å; L129-I187 HydrophobicContact CD2-CG2 3.5Å; L129-I187 VanDerWaalsContact CD2-CG2 3.5Å; L129-I187 HydrophobicContact CG-CG2 4.45Å; L129-L188 HydrophobicContact CD2-CD2 3.92Å; L129-L188 HydrophobicContact CD2-CG 3.85Å; L129-L193 HydrophobicContact CD1-CD1 4.24Å; L129-L193 HydrophobicContact CD1-CD2 4.45Å; L129-K218 PolarHBondContact O-N 3.44Å; L129-L221 HydrophobicContact CB-CD1 4.05Å; L129-L221 HydrophobicContact CD2-CD1 4.01Å; L129-L221 VanDerWaalsContact O-CD1 3.32Å; L129-L221 WeakPolarHBondContact O-CD1 3.31Å
130V94.5Very high86.7Confident3 Ų350.9 Ų50.92%0.01827%0.268CS..BIsolated β-bridgetrans-107.5155.4-173.9-63.30000112.1L124 S128 I132 Y169 A173 L216 F217 K218L124-V130 HydrophobicContact CD2-CG2 3.95Å; S128-V130 VanDerWaalsContact OG-CG2 3.23Å; S128-V130 WeakPolarHBondContact OG-CG2 3.2Å; S128-V130 PolarHBondContact OG-N 2.85Å; S128-V130 VanDerWaalsContact OG-N 3.16Å; V130-I132 WeakPolarHBondContact CG2-O 3.41Å; V130-Y169 HydrophobicContact CB-CD2 4.49Å; V130-Y169 HydrophobicContact CB-CE2 3.83Å; V130-Y169 HydrophobicContact CG1-CD2 3.8Å; V130-Y169 HydrophobicContact CG1-CE2 3.59Å; V130-Y169 HydrophobicContact CG2-CE2 4.21Å; V130-A173 HydrophobicContact CG1-CB 4.01Å; V130-A173 HydrophobicContact CG2-CB 3.89Å; V130-L216 WeakPolarHBondContact CA-O 3.39Å; V130-L216 WeakPolarHBondContact CB-O 3.48Å; V130-F217 HydrophobicContact CG1-CD1 4.2Å; V130-F217 HydrophobicContact CG1-CE1 4.15Å; V130-F217 HydrophobicContact CG1-CG 4.46Å; V130-F217 HydrophobicContact CG1-CZ 4.35Å; V130-K218 WeakPolarHBondContact O-CE 3.48Å
131N89.6Confident87.9Confident77 Ų7748.1 Ų48.141%0.41225%0.25SS..SBendtrans-89-17.5177.4-87.3-23.1000113.1L124 L216 F217 K218L124-N131 WeakPolarHBondContact CD1-O 3.37Å; N131-L216 PolarHBondContact N-O 3.44Å; N131-F217 PolarHBondContact ND2-O 3.17Å; N131-K218 VanDerWaalsContact OD1-CA 3.31Å; N131-K218 WeakPolarHBondContact OD1-CA 3.24Å; N131-K218 WeakPolarHBondContact OD1-CG 3.48Å
132I91.8Very high89.1Confident4 Ų450.1 Ų50.12%0.02126%0.258CS..  trans-139.5147.1-169.8-175.8157.5000110V130 L134 W143 Y169 L216V130-I132 WeakPolarHBondContact CG2-O 3.41Å; I132-L134 HydrophobicContact CD1-CD2 3.5Å; I132-L134 HydrophobicContact CD1-CG 4.12Å; I132-L134 HydrophobicContact CG1-CD2 3.74Å; I132-L134 HydrophobicContact CG1-CG 3.94Å; I132-L134 HydrophobicContact CG2-CD1 4.36Å; I132-L134 HydrophobicContact CG2-CG 4.13Å; I132-W143 HydrophobicContact CD1-CB 4Å; I132-W143 HydrophobicContact CD1-CD2 3.47Å; I132-W143 VanDerWaalsContact CD1-CD2 3.47Å; I132-W143 HydrophobicContact CD1-CE3 4.42Å; I132-W143 HydrophobicContact CD1-CG 3.23Å; I132-W143 HydrophobicContact CD1-CZ2 4.11Å; I132-W143 HydrophobicContact CG2-CZ2 4.37Å; I132-Y169 HydrophobicContact CG2-CE2 4.2Å; I132-Y169 PolarHBondContact O-OH 3.43Å; I132-L216 HydrophobicContact CG2-CD2 3.9Å
133N92.7Very high90.4Very high11 Ų1144.5 Ų44.56%0.05922%0.219CC..  trans-105.4100.1169.8-179.413000109.9S119 A121 D123 L124 H174S119-N133 PolarHBondContact OG-N 2.76Å; A121-N133 HydrophobicContact CB-CB 4.03Å; D123-N133 PolarHBondContact OD1-ND2 2.77Å; L124-N133 HydrophobicContact CD2-CB 3.87Å; L124-N133 HydrophobicContact CG-CB 3.79Å; N133-H174 PolarHBondContact OD1-CE1 2.79Å; N133-H174 PolarHBondContact OD1-NE2 3.46Å
134L94.3Very high91.4Very high0 Ų041.2 Ų41.20%020%0.201CC..  trans-101.9128.6172.3-52.9172.7000109P120 I132 D139 Y140 W143 Y169 H174 L216 F350P120-L134 HydrophobicContact CG-CD2 4.15Å; I132-L134 HydrophobicContact CD1-CD2 3.5Å; I132-L134 HydrophobicContact CD1-CG 4.12Å; I132-L134 HydrophobicContact CG1-CD2 3.74Å; I132-L134 HydrophobicContact CG1-CG 3.94Å; I132-L134 HydrophobicContact CG2-CD1 4.36Å; I132-L134 HydrophobicContact CG2-CG 4.13Å; L134-D139 HydrophobicContact CB-CB 4.37Å; L134-D139 HydrophobicContact CD2-CB 4Å; L134-Y140 HydrophobicContact CD1-CD2 3.84Å; L134-W143 HydrophobicContact CD1-CE3 4.39Å; L134-W143 HydrophobicContact CD2-CB 4.13Å; L134-W143 HydrophobicContact CD2-CG 4.38Å; L134-Y169 HydrophobicContact CB-CE1 3.78Å; L134-Y169 HydrophobicContact CD1-CE1 4.1Å; L134-Y169 HydrophobicContact CG-CE1 4.19Å; L134-Y169 PolarHBondContact N-OH 3.36Å; L134-H174 PolarHBondContact O-NE2 2.84Å; L134-L216 HydrophobicContact CD1-CD2 3.53Å; L134-F350 HydrophobicContact CB-CZ 3.83Å
135R92.7Very high92.1Very high135 Ų13540 Ų4051%0.50920%0.201SC..  trans-100.7-31.1-178.8-57.3177174.6179.8-4.6112.3D123 D139 P349D123-R135 IonicContact OD1-NH2 3.54Å; D123-R135 IonicContact OD2-CZ 3.55Å; D123-R135 IonicContact OD2-NH2 3.78Å; D123-R135 PolarHBondContact OD2-NH2 2.86Å; R135-D139 VanDerWaalsContact CB-OD2 3.24Å; R135-D139 WeakPolarHBondContact CB-OD2 3.46Å; R135-D139 PolarHBondContact N-OD2 3.48Å; R135-P349 WeakPolarHBondContact O-CB 3.49Å; R135-P349 VanDerWaalsContact O-CG 3.28Å; R135-P349 WeakPolarHBondContact O-CG 3.46Å
136D94.2Very high92.9Very high64 Ų6433.1 Ų33.134%0.34217%0.17SC..SBendtrans-154.1-175-179.965.927.6000113.7L138 D139 Y140 P349 F350D136-L138 VanDerWaalsContact C-N 3.27Å; D136-L138 PolarHBondContact O-N 2.86Å; D136-L138 WeakPolarHBondContact OD1-CA 3.32Å; D136-L138 WeakPolarHBondContact OD1-CB 3.29Å; D136-L138 PolarHBondContact OD1-N 2.76Å; D136-D139 PolarHBondContact O-N 3.21Å; D136-D139 PolarHBondContact OD1-N 2.92Å; D136-Y140 PolarHBondContact O-N 2.98Å; D136-P349 HydrophobicContact CB-CB 4.25Å; D136-F350 WeakPolarHBondContact O-CE1 3.06Å; D136-F350 WeakPolarHBondContact O-CZ 3.42Å
137W96.6Very high93.3Very high1 Ų127.8 Ų27.80%0.00415%0.146CC..Hα-helixtrans-60.1-33177.4-79.1118.1000113.7P15 F16 Y140 Y141 A159 L162 H163 L166 P349 F350 R351P15-W137 HydrophobicContact CG-CB 3.79Å; F16-W137 HydrophobicContact CE2-CB 4.28Å; F16-W137 AromaticContact CE2-CD1 3.71Å; F16-W137 HydrophobicContact CE2-CD2 4.33Å; F16-W137 AromaticContact CE2-CG 3.86Å; F16-W137 HydrophobicContact CE2-CG 3.86Å; F16-W137 HydrophobicContact CZ-CB 3.75Å; F16-W137 AromaticContact CZ-CD1 3.81Å; F16-W137 AromaticContact CZ-CD2 3.69Å; F16-W137 HydrophobicContact CZ-CD2 3.69Å; F16-W137 HydrophobicContact CZ-CE3 4.22Å; F16-W137 AromaticContact CZ-CG 3.47Å; F16-W137 HydrophobicContact CZ-CG 3.47Å; F16-W137 VanDerWaalsContact CZ-CG 3.47Å; W137-Y140 HydrophobicContact CE3-CD1 4.24Å; W137-Y140 HydrophobicContact CZ3-CD1 4.21Å; W137-Y140 PolarHBondContact O-N 3.29Å; W137-Y141 HydrophobicContact CE3-CD2 4.1Å; W137-Y141 AromaticContact CE3-CE2 3.67Å; W137-Y141 HydrophobicContact CE3-CE2 3.67Å; W137-Y141 HydrophobicContact CZ3-CE2 4.08Å; W137-Y141 VanDerWaalsContact O-CD2 3.23Å; W137-Y141 WeakPolarHBondContact O-CD2 3.49Å; W137-Y141 PolarHBondContact O-N 2.78Å; W137-A159 HydrophobicContact CD2-CB 3.97Å; W137-A159 HydrophobicContact CE3-CB 3.84Å; W137-A159 HydrophobicContact CH2-CB 3.55Å; W137-A159 WeakPolarHBondContact CH2-O 3.21Å; W137-A159 HydrophobicContact CZ2-CB 3.68Å; W137-A159 HydrophobicContact CZ3-CB 3.61Å; W137-L162 HydrophobicContact CH2-CB 4.11Å; W137-L162 HydrophobicContact CZ3-CB 4.25Å; W137-H163 HydrophobicContact CH2-CB 4.25Å; W137-H163 HydrophobicContact CZ2-CB 3.88Å; W137-L166 HydrophobicContact CE3-CD1 4.01Å; W137-L166 HydrophobicContact CH2-CD1 3.85Å; W137-L166 HydrophobicContact CZ3-CD1 3.4Å; W137-L166 VanDerWaalsContact CZ3-CD1 3.4Å; W137-P349 PolarHBondContact NE1-O 3.07Å; W137-F350 AromaticContact CD2-CD1 4Å; W137-F350 HydrophobicContact CD2-CD1 4Å; W137-F350 HydrophobicContact CE3-CD1 4.14Å; W137-F350 HydrophobicContact CG-CD1 4.41Å; W137-F350 HydrophobicContact CZ2-CB 4.22Å; W137-F350 HydrophobicContact CZ2-CD1 4.48Å; W137-F350 WeakPolarHBondContact CZ2-O 3.18Å; W137-F350 HydrophobicContact CZ3-CD1 4.46Å; W137-R351 PolarHBondContact NE1-O 3.03Å; W137-R351 VanDerWaalsContact NE1-O 3.08Å
138L94.3Very high93.2Very high33 Ų3326.6 Ų26.617%0.17314%0.139CC..Hα-helixtrans-70.2-43.7-178.5-171.961.6000110.7P15 D136 Y140 Y141 K142 I154P15-L138 HydrophobicContact CB-CB 4.47Å; P15-L138 HydrophobicContact CG-CB 4.4Å; D136-L138 VanDerWaalsContact C-N 3.27Å; D136-L138 PolarHBondContact O-N 2.86Å; D136-L138 WeakPolarHBondContact OD1-CA 3.32Å; D136-L138 WeakPolarHBondContact OD1-CB 3.29Å; D136-L138 PolarHBondContact OD1-N 2.76Å; L138-Y140 VanDerWaalsContact C-N 3.32Å; L138-Y140 PolarHBondContact O-N 2.86Å; L138-Y141 PolarHBondContact O-N 3.27Å; L138-K142 HydrophobicContact CG-CD 4.27Å; L138-K142 WeakPolarHBondContact O-CB 3.28Å; L138-K142 WeakPolarHBondContact O-CG 3.25Å; L138-K142 PolarHBondContact O-N 2.8Å; L138-I154 HydrophobicContact CD1-CD1 3.89Å; L138-I154 HydrophobicContact CD1-CG1 4.21Å
139D93.9Very high92.9Very high32 Ų3228.9 Ų28.917%0.17115%0.154CC..Hα-helixtrans-55.7-47.7172.9-73.5-14.3000111.4P120 L134 R135 D136 W143P120-D139 HydrophobicContact CG-CB 3.92Å; L134-D139 HydrophobicContact CB-CB 4.37Å; L134-D139 HydrophobicContact CD2-CB 4Å; R135-D139 VanDerWaalsContact CB-OD2 3.24Å; R135-D139 WeakPolarHBondContact CB-OD2 3.46Å; R135-D139 PolarHBondContact N-OD2 3.48Å; D136-D139 PolarHBondContact O-N 3.21Å; D136-D139 PolarHBondContact OD1-N 2.92Å; D139-W143 VanDerWaalsContact O-CB 3.24Å; D139-W143 WeakPolarHBondContact O-CB 3.3Å; D139-W143 PolarHBondContact O-N 2.9Å
140Y95.6Very high92.6Very high0 Ų036 Ų360%019%0.192CC..Hα-helixtrans-61.7-48.4-179.7173.9-97.8000112L134 D136 W137 L138 K142 W143 R144 L146 L162 L166 E212L134-Y140 HydrophobicContact CD1-CD2 3.84Å; D136-Y140 PolarHBondContact O-N 2.98Å; W137-Y140 HydrophobicContact CE3-CD1 4.24Å; W137-Y140 HydrophobicContact CZ3-CD1 4.21Å; W137-Y140 PolarHBondContact O-N 3.29Å; L138-Y140 VanDerWaalsContact C-N 3.32Å; L138-Y140 PolarHBondContact O-N 2.86Å; Y140-K142 PolarHBondContact O-N 2.81Å; Y140-W143 AromaticContact CD2-CE3 3.94Å; Y140-W143 HydrophobicContact CD2-CE3 3.94Å; Y140-W143 HydrophobicContact CD2-CZ3 4.04Å; Y140-W143 HydrophobicContact CE2-CE3 4.04Å; Y140-W143 AromaticContact CE2-CZ3 3.78Å; Y140-W143 HydrophobicContact CE2-CZ3 3.78Å; Y140-W143 PolarHBondContact O-N 2.98Å; Y140-R144 HydrophobicContact CE1-CB 4.38Å; Y140-R144 HydrophobicContact CE2-CB 4.48Å; Y140-R144 VanDerWaalsContact O-CB 3.26Å; Y140-R144 WeakPolarHBondContact O-CB 3.36Å; Y140-R144 PolarHBondContact O-N 3.3Å; Y140-L146 HydrophobicContact CD1-CD1 4.5Å; Y140-L146 HydrophobicContact CE1-CD1 3.79Å; Y140-L162 HydrophobicContact CE1-CD1 3.48Å; Y140-L162 VanDerWaalsContact CE1-CD1 3.48Å; Y140-L162 VanDerWaalsContact CZ-CD1 3.43Å; Y140-L162 WeakPolarHBondContact OH-CD1 3.25Å; Y140-L166 HydrophobicContact CD1-CD1 3.85Å; Y140-L166 HydrophobicContact CD2-CD1 3.62Å; Y140-L166 HydrophobicContact CD2-CD2 3.82Å; Y140-L166 HydrophobicContact CD2-CG 4.36Å; Y140-L166 HydrophobicContact CE1-CD1 4.26Å; Y140-L166 HydrophobicContact CE2-CD1 4.02Å; Y140-L166 HydrophobicContact CE2-CD2 3.91Å; Y140-L166 HydrophobicContact CE2-CG 4.49Å; Y140-L166 HydrophobicContact CG-CD1 3.54Å; Y140-E212 HydrophobicContact CE2-CG 4.15Å; Y140-E212 PolarHBondContact OH-OE1 2.65Å
141Y95.3Very high92.3Very high0 Ų039.6 Ų39.60%021%0.209CC..Hα-helixtrans-66.1-38.3-177.1-89.7-112.9000112.3F16 W137 L138 G145 L146 I154 N156 L158 A159F16-Y141 AromaticContact CE1-CE2 3.91Å; F16-Y141 HydrophobicContact CE1-CE2 3.91Å; F16-Y141 AromaticContact CE1-CZ 3.87Å; F16-Y141 HydrophobicContact CZ-CE2 4.35Å; W137-Y141 HydrophobicContact CE3-CD2 4.1Å; W137-Y141 AromaticContact CE3-CE2 3.67Å; W137-Y141 HydrophobicContact CE3-CE2 3.67Å; W137-Y141 HydrophobicContact CZ3-CE2 4.08Å; W137-Y141 VanDerWaalsContact O-CD2 3.23Å; W137-Y141 WeakPolarHBondContact O-CD2 3.49Å; W137-Y141 PolarHBondContact O-N 2.78Å; L138-Y141 PolarHBondContact O-N 3.27Å; Y141-G145 PolarHBondContact O-N 3.2Å; Y141-L146 HydrophobicContact CD1-CB 3.36Å; Y141-L146 HydrophobicContact CD1-CD1 3.88Å; Y141-L146 HydrophobicContact CD1-CG 4.26Å; Y141-L146 HydrophobicContact CD2-CD1 4.45Å; Y141-L146 HydrophobicContact CE1-CB 4.02Å; Y141-L146 HydrophobicContact CE1-CD1 4.04Å; Y141-L146 HydrophobicContact CG-CB 3.98Å; Y141-L146 HydrophobicContact CG-CD1 4.12Å; Y141-L146 PolarHBondContact O-N 3.09Å; Y141-I154 HydrophobicContact CD1-CB 4.25Å; Y141-I154 HydrophobicContact CD1-CD1 4.02Å; Y141-I154 HydrophobicContact CD1-CG1 4.04Å; Y141-I154 HydrophobicContact CD1-CG2 3.21Å; Y141-I154 HydrophobicContact CD2-CD1 3.9Å; Y141-I154 HydrophobicContact CD2-CG2 4.45Å; Y141-I154 HydrophobicContact CE1-CB 4.4Å; Y141-I154 HydrophobicContact CE1-CG2 3.04Å; Y141-I154 HydrophobicContact CE2-CG2 4.35Å; Y141-I154 HydrophobicContact CG-CD1 3.59Å; Y141-I154 HydrophobicContact CG-CG1 4.09Å; Y141-I154 HydrophobicContact CG-CG2 3.94Å; Y141-N156 HydrophobicContact CE1-CB 4.08Å; Y141-N156 VanDerWaalsContact CE1-ND2 3.26Å; Y141-N156 WeakPolarHBondContact CE1-ND2 3.29Å; Y141-N156 PolarHBondContact OH-O 3.4Å; Y141-L158 PolarHBondContact OH-N 2.83Å; Y141-A159 HydrophobicContact CE2-CB 4.24Å; Y141-A159 PolarHBondContact OH-N 3.25Å
142K93.1Very high92.2Very high49 Ų4943.6 Ų43.621%0.21323%0.225CC..Hα-helixtrans-63.4-54.7173.6-72.3-178.9-179.1-169.30110.5Y117 L138 Y140 R144 G145 C147 P149 E151Y117-K142 WeakPolarHBondContact CD2-O 3.14Å; Y117-K142 WeakPolarHBondContact CE2-O 3.32Å; L138-K142 HydrophobicContact CG-CD 4.27Å; L138-K142 WeakPolarHBondContact O-CB 3.28Å; L138-K142 WeakPolarHBondContact O-CG 3.25Å; L138-K142 PolarHBondContact O-N 2.8Å; Y140-K142 PolarHBondContact O-N 2.81Å; K142-R144 VanDerWaalsContact C-N 3.27Å; K142-R144 PolarHBondContact O-N 3.42Å; K142-G145 PolarHBondContact O-N 2.66Å; K142-C147 VanDerWaalsContact CG-SG 3.59Å; K142-P149 WeakPolarHBondContact CE-O 3.45Å; K142-P149 PolarHBondContact NZ-O 3.16Å; K142-E151 WeakPolarHBondContact CE-O 3.42Å; K142-E151 PolarHBondContact NZ-O 3.33Å
143W93.2Very high91.9Very high15 Ų1546.5 Ų46.56%0.05725%0.245CC..Hα-helixtrans-54.5-43.1179.6169.366.4000112.9P115 L116 Y117 I132 L134 D139 Y140 G145 E212 H215 L216P115-W143 HydrophobicContact CB-CD2 3.99Å; P115-W143 VanDerWaalsContact CB-CE2 3.4Å; P115-W143 HydrophobicContact CB-CH2 4.14Å; P115-W143 HydrophobicContact CB-CZ2 3.57Å; P115-W143 HydrophobicContact CG-CD2 4.38Å; P115-W143 HydrophobicContact CG-CH2 3.46Å; P115-W143 VanDerWaalsContact CG-CH2 3.46Å; P115-W143 HydrophobicContact CG-CZ2 3.16Å; P115-W143 HydrophobicContact CG-CZ3 4.16Å; L116-W143 PolarHBondContact N-O 3.2Å; Y117-W143 PolarHBondContact N-O 2.83Å; Y117-W143 PolarHBondContact O-NE1 3.08Å; I132-W143 HydrophobicContact CD1-CB 4Å; I132-W143 HydrophobicContact CD1-CD2 3.47Å; I132-W143 VanDerWaalsContact CD1-CD2 3.47Å; I132-W143 HydrophobicContact CD1-CE3 4.42Å; I132-W143 HydrophobicContact CD1-CG 3.23Å; I132-W143 HydrophobicContact CD1-CZ2 4.11Å; I132-W143 HydrophobicContact CG2-CZ2 4.37Å; L134-W143 HydrophobicContact CD1-CE3 4.39Å; L134-W143 HydrophobicContact CD2-CB 4.13Å; L134-W143 HydrophobicContact CD2-CG 4.38Å; D139-W143 VanDerWaalsContact O-CB 3.24Å; D139-W143 WeakPolarHBondContact O-CB 3.3Å; D139-W143 PolarHBondContact O-N 2.9Å; Y140-W143 AromaticContact CD2-CE3 3.94Å; Y140-W143 HydrophobicContact CD2-CE3 3.94Å; Y140-W143 HydrophobicContact CD2-CZ3 4.04Å; Y140-W143 HydrophobicContact CE2-CE3 4.04Å; Y140-W143 AromaticContact CE2-CZ3 3.78Å; Y140-W143 HydrophobicContact CE2-CZ3 3.78Å; Y140-W143 PolarHBondContact O-N 2.98Å; W143-G145 VanDerWaalsContact C-N 3.27Å; W143-G145 PolarHBondContact O-N 3.11Å; W143-E212 WeakPolarHBondContact CZ3-OE1 3.39Å; W143-H215 HydrophobicContact CH2-CB 3.77Å; W143-H215 HydrophobicContact CZ2-CB 4.22Å; W143-L216 HydrophobicContact CH2-CD2 3.57Å; W143-L216 HydrophobicContact CH2-CG 4.16Å; W143-L216 HydrophobicContact CZ2-CD2 4.44Å; W143-L216 HydrophobicContact CZ3-CD2 3.64Å; W143-L216 HydrophobicContact CZ3-CG 4.45Å
144R93.7Very high91.9Very high5 Ų546 Ų462%0.01924%0.243CC..Hα-helixtrans-75-15.6-178-160.364.9178.590.5-11.8113.7I110 M111 L113 Y140 K142 L146 E212I110-R144 HydrophobicContact CG2-CG 4.21Å; I110-R144 VanDerWaalsContact O-CZ 3.25Å; I110-R144 PolarHBondContact O-NH1 2.93Å; I110-R144 PolarHBondContact O-NH2 3.35Å; I110-R144 VanDerWaalsContact O-NH2 3.07Å; M111-R144 PolarHBondContact O-NH2 2.93Å; L113-R144 PolarHBondContact O-NH1 3.46Å; L113-R144 PolarHBondContact O-NH2 2.8Å; Y140-R144 HydrophobicContact CE1-CB 4.38Å; Y140-R144 HydrophobicContact CE2-CB 4.48Å; Y140-R144 VanDerWaalsContact O-CB 3.26Å; Y140-R144 WeakPolarHBondContact O-CB 3.36Å; Y140-R144 PolarHBondContact O-N 3.3Å; K142-R144 VanDerWaalsContact C-N 3.27Å; K142-R144 PolarHBondContact O-N 3.42Å; R144-L146 HydrophobicContact CB-CD1 3.99Å; R144-L146 HydrophobicContact CB-CG 4.12Å; R144-L146 HydrophobicContact CG-CD1 4.01Å; R144-L146 HydrophobicContact CG-CG 4.16Å; R144-E212 VanDerWaalsContact CD-OE1 3.27Å; R144-E212 WeakPolarHBondContact CD-OE1 3.18Å; R144-E212 IonicContact CZ-OE2 3.82Å; R144-E212 IonicContact NE-OE1 3.03Å; R144-E212 PolarHBondContact NE-OE1 2.8Å; R144-E212 IonicContact NE-OE2 3.22Å; R144-E212 PolarHBondContact NE-OE2 3.19Å; R144-E212 IonicContact NH2-OE2 2.78Å; R144-E212 PolarHBondContact NH2-OE2 3.29Å
145G92.3Very high91.7Very high26 Ų2648.9 Ų48.927%0.26826%0.263SS..THydrogen-bonded Turntrans7828.6-17400000113.6Y141 K142 W143Y141-G145 PolarHBondContact O-N 3.2Å; K142-G145 PolarHBondContact O-N 2.66Å; W143-G145 VanDerWaalsContact C-N 3.27Å; W143-G145 PolarHBondContact O-N 3.11Å
146L93.1Very high91.7Very high28 Ų2843.7 Ų43.715%0.14725%0.245CC..SBendtrans-88.1-13176.4-69.2165.4000113L107 I110 Y140 Y141 R144 L158L107-L146 HydrophobicContact CD2-CD2 4.01Å; I110-L146 HydrophobicContact CB-CD2 4.48Å; I110-L146 HydrophobicContact CD1-CD2 3.85Å; I110-L146 HydrophobicContact CG2-CD2 3.84Å; I110-L146 HydrophobicContact CG2-CG 4.31Å; Y140-L146 HydrophobicContact CD1-CD1 4.5Å; Y140-L146 HydrophobicContact CE1-CD1 3.79Å; Y141-L146 HydrophobicContact CD1-CB 3.36Å; Y141-L146 HydrophobicContact CD1-CD1 3.88Å; Y141-L146 HydrophobicContact CD1-CG 4.26Å; Y141-L146 HydrophobicContact CD2-CD1 4.45Å; Y141-L146 HydrophobicContact CE1-CB 4.02Å; Y141-L146 HydrophobicContact CE1-CD1 4.04Å; Y141-L146 HydrophobicContact CG-CB 3.98Å; Y141-L146 HydrophobicContact CG-CD1 4.12Å; Y141-L146 PolarHBondContact O-N 3.09Å; R144-L146 HydrophobicContact CB-CD1 3.99Å; R144-L146 HydrophobicContact CB-CG 4.12Å; R144-L146 HydrophobicContact CG-CD1 4.01Å; R144-L146 HydrophobicContact CG-CG 4.16Å; L146-L158 HydrophobicContact CD1-CD2 3.64Å; L146-L158 HydrophobicContact CD2-CD2 4.13Å
147C91.6Very high91.7Very high12 Ų1240.7 Ų40.78%0.08123%0.229CC..SBendtrans-145.4163.6171.467.10000108.9K142 E151K142-C147 VanDerWaalsContact CG-SG 3.59Å; C147-E151 HydrophobicContact CB-CB 4.1Å; C147-E151 VanDerWaalsContact CB-OE2 3.27Å; C147-E151 WeakPolarHBondContact CB-OE2 3.35Å
148S87.6Confident91.7Very high47 Ų4740.7 Ų40.733%0.32923%0.229SC..  trans-68.6156.5171.763.70000111.9D150 E151S148-D150 PolarHBondContact O-N 2.92Å; S148-E151 VanDerWaalsContact CB-OE1 3.32Å; S148-E151 WeakPolarHBondContact CB-OE1 3.48Å; S148-E151 PolarHBondContact N-OE1 2.74Å; S148-E151 PolarHBondContact O-N 2.84Å; S148-E151 VanDerWaalsContact OG-CD 3.3Å; S148-E151 WeakPolarHBondContact OG-CG 3.14Å; S148-E151 PolarHBondContact OG-N 2.97Å; S148-E151 PolarHBondContact OG-OE1 3.31Å
149P86.2Confident91.8Very high61 Ų6139.1 Ų39.140%0.39622%0.221SC..THydrogen-bonded Turntrans-59.3-26.9177.1-26.936.1000114.4Y117 K142Y117-P149 HydrophobicContact CE1-CG 4.14Å; K142-P149 WeakPolarHBondContact CE-O 3.45Å; K142-P149 PolarHBondContact NZ-O 3.16Å
150D88.2Confident91.9Very high153 Ų15337.7 Ų37.782%0.81821%0.213SC*.THydrogen-bonded Turntrans-91.1-8.6-178.8-58.7-43.6000113.1S148S148-D150 PolarHBondContact O-N 2.92Å
151E88Confident92Very high79 Ų7937.7 Ų37.737%0.36921%0.213SC..  trans-70.5137.3175.4-89.9164.2-113.300111.4K142 C147 S148K142-E151 WeakPolarHBondContact CE-O 3.42Å; K142-E151 PolarHBondContact NZ-O 3.33Å; C147-E151 HydrophobicContact CB-CB 4.1Å; C147-E151 VanDerWaalsContact CB-OE2 3.27Å; C147-E151 WeakPolarHBondContact CB-OE2 3.35Å; S148-E151 VanDerWaalsContact CB-OE1 3.32Å; S148-E151 WeakPolarHBondContact CB-OE1 3.48Å; S148-E151 PolarHBondContact N-OE1 2.74Å; S148-E151 PolarHBondContact O-N 2.84Å; S148-E151 VanDerWaalsContact OG-CD 3.3Å; S148-E151 WeakPolarHBondContact OG-CG 3.14Å; S148-E151 PolarHBondContact OG-N 2.97Å; S148-E151 PolarHBondContact OG-OE1 3.31Å
152E87.4Confident92.1Very high161 Ų16137.7 Ų37.775%0.75221%0.213SC*.  trans-108.4-14.8173.6-63.4-171163.700112.7
153S86.2Confident92.3Very high64 Ų6435.3 Ų35.345%0.44820%0.203SC..  trans-126.3127.9-177.567.30000111.2
154I92.7Very high92.6Very high2 Ų234.8 Ų34.81%0.0120%0.201CC..BIsolated β-bridgetrans-104.7133.5-173.3-66.2159000110P15 F16 T17 L138 Y141P15-I154 HydrophobicContact CB-CD1 4.33Å; P15-I154 HydrophobicContact CG-CD1 4.07Å; P15-I154 WeakPolarHBondContact O-CB 3.21Å; P15-I154 PolarHBondContact O-N 3.1Å; F16-I154 CarbonylContact C-O 3.53Å; F16-I154 VanDerWaalsContact CA-O 3.24Å; F16-I154 WeakPolarHBondContact CA-O 3.47Å; F16-I154 HydrophobicContact CD1-CB 3.81Å; F16-I154 HydrophobicContact CD1-CG2 3.68Å; F16-I154 HydrophobicContact CE1-CB 4.16Å; F16-I154 HydrophobicContact CE1-CD1 4.3Å; F16-I154 HydrophobicContact CE1-CG2 3.8Å; T17-I154 PolarHBondContact N-O 2.94Å; T17-I154 PolarHBondContact OG1-O 2.94Å; L138-I154 HydrophobicContact CD1-CD1 3.89Å; L138-I154 HydrophobicContact CD1-CG1 4.21Å; Y141-I154 HydrophobicContact CD1-CB 4.25Å; Y141-I154 HydrophobicContact CD1-CD1 4.02Å; Y141-I154 HydrophobicContact CD1-CG1 4.04Å; Y141-I154 HydrophobicContact CD1-CG2 3.21Å; Y141-I154 HydrophobicContact CD2-CD1 3.9Å; Y141-I154 HydrophobicContact CD2-CG2 4.45Å; Y141-I154 HydrophobicContact CE1-CB 4.4Å; Y141-I154 HydrophobicContact CE1-CG2 3.04Å; Y141-I154 HydrophobicContact CE2-CG2 4.35Å; Y141-I154 HydrophobicContact CG-CD1 3.59Å; Y141-I154 HydrophobicContact CG-CG1 4.09Å; Y141-I154 HydrophobicContact CG-CG2 3.94Å
155S91.1Very high92.8Very high59 Ų5934.5 Ų34.541%0.41320%0.2SC..  trans-102.7-30.4178.1-61.40000114.5T17 F18 F39T17-S155 WeakPolarHBondContact CG2-OG 3.39Å; T17-S155 WeakPolarHBondContact OG1-CA 3.31Å; T17-S155 PolarHBondContact OG1-OG 2.77Å; F18-S155 WeakPolarHBondContact CD1-O 3.12Å; F18-S155 WeakPolarHBondContact CE1-O 3.23Å; F39-S155 WeakPolarHBondContact CZ-O 3.22Å
156N91.6Very high93.1Very high26 Ų2633.3 Ų33.314%0.13919%0.187CC..  trans-66.9132.1-174.9155.956.5000112.5L107 Y141 L158L107-N156 WeakPolarHBondContact CD2-OD1 3.32Å; Y141-N156 HydrophobicContact CE1-CB 4.08Å; Y141-N156 VanDerWaalsContact CE1-ND2 3.26Å; Y141-N156 WeakPolarHBondContact CE1-ND2 3.29Å; Y141-N156 PolarHBondContact OH-O 3.4Å; N156-L158 VanDerWaalsContact C-N 3.26Å; N156-L158 WeakPolarHBondContact ND2-CB 3.16Å; N156-L158 PolarHBondContact O-N 3.07Å; N156-L158 PolarHBondContact OD1-N 2.62Å
157P94.4Very high93.3Very high2 Ų232 Ų321%0.01318%0.18CC..THydrogen-bonded Turntrans-79.88.9-173.833.6-38.7000115.1L36 F39 W47 A159 L160L36-P157 HydrophobicContact CD2-CB 4.43Å; F39-P157 HydrophobicContact CB-CG 4.15Å; F39-P157 HydrophobicContact CD1-CG 4.22Å; F39-P157 HydrophobicContact CD2-CB 4.28Å; F39-P157 HydrophobicContact CD2-CG 3.62Å; F39-P157 HydrophobicContact CE2-CB 4.45Å; F39-P157 HydrophobicContact CE2-CG 4.09Å; F39-P157 HydrophobicContact CG-CG 3.72Å; W47-P157 HydrophobicContact CH2-CB 4.07Å; W47-P157 HydrophobicContact CH2-CG 3.73Å; W47-P157 HydrophobicContact CZ3-CB 3.95Å; W47-P157 HydrophobicContact CZ3-CG 4.01Å; W47-P157 WeakPolarHBondContact CZ3-O 3.4Å; P157-A159 PolarHBondContact O-N 3.16Å; P157-L160 HydrophobicContact CB-CD1 4.29Å; P157-L160 HydrophobicContact CB-CD2 4.29Å; P157-L160 VanDerWaalsContact O-CB 3.29Å; P157-L160 WeakPolarHBondContact O-CB 3.04Å; P157-L160 VanDerWaalsContact O-CD1 3.27Å; P157-L160 WeakPolarHBondContact O-CD1 3.36Å; P157-L160 PolarHBondContact O-N 2.99Å
158L96Very high93.7Very high0 Ų031.4 Ų31.40%018%0.177CC..THydrogen-bonded Turntrans-57.1-25.9-174.3-171.567.6000114.6F102 L107 M111 Y141 L146 N156 L160 L161 L162F102-L158 HydrophobicContact CD1-CD1 3.94Å; F102-L158 HydrophobicContact CE1-CD1 3.79Å; L107-L158 HydrophobicContact CD1-CD1 4.38Å; L107-L158 HydrophobicContact CD2-CD2 4.49Å; M111-L158 HydrophobicContact SD-CD2 3.75Å; Y141-L158 PolarHBondContact OH-N 2.83Å; L146-L158 HydrophobicContact CD1-CD2 3.64Å; L146-L158 HydrophobicContact CD2-CD2 4.13Å; N156-L158 VanDerWaalsContact C-N 3.26Å; N156-L158 WeakPolarHBondContact ND2-CB 3.16Å; N156-L158 PolarHBondContact O-N 3.07Å; N156-L158 PolarHBondContact OD1-N 2.62Å; L158-L160 PolarHBondContact O-N 2.85Å; L158-L160 VanDerWaalsContact O-N 3.13Å; L158-L161 HydrophobicContact CD1-CD1 4.49Å; L158-L161 PolarHBondContact O-N 3.05Å; L158-L162 HydrophobicContact CD1-CD1 4.34Å; L158-L162 HydrophobicContact CD1-CG 4.38Å; L158-L162 HydrophobicContact CD2-CD1 3.47Å; L158-L162 VanDerWaalsContact CD2-CD1 3.47Å; L158-L162 HydrophobicContact CD2-CG 4.36Å; L158-L162 HydrophobicContact CG-CD1 3.52Å; L158-L162 HydrophobicContact CG-CG 3.93Å; L158-L162 PolarHBondContact O-N 3.47Å
159A97Very high94.2Very high0 Ų029.1 Ų29.10%016%0.161CC..Hα-helixtrans-54.8-28.117300000113.8F16 W137 Y141 P157 L161 H163 P353F16-A159 HydrophobicContact CE1-CB 3.71Å; F16-A159 HydrophobicContact CE2-CB 4.06Å; F16-A159 HydrophobicContact CZ-CB 3.29Å; W137-A159 HydrophobicContact CD2-CB 3.97Å; W137-A159 HydrophobicContact CE3-CB 3.84Å; W137-A159 HydrophobicContact CH2-CB 3.55Å; W137-A159 WeakPolarHBondContact CH2-O 3.21Å; W137-A159 HydrophobicContact CZ2-CB 3.68Å; W137-A159 HydrophobicContact CZ3-CB 3.61Å; Y141-A159 HydrophobicContact CE2-CB 4.24Å; Y141-A159 PolarHBondContact OH-N 3.25Å; P157-A159 PolarHBondContact O-N 3.16Å; A159-L161 PolarHBondContact O-N 3.04Å; A159-H163 PolarHBondContact O-N 3.22Å; A159-P353 HydrophobicContact CB-CG 4.27Å
160L95.6Very high94.7Very high2 Ų226.9 Ų26.91%0.0115%0.145CC..Hα-helixtrans-64.8-25.1176.2-77.558.5000111.9F18 L32 L36 W47 E50 F51 P157 L158 H163 P353 I354F18-L160 HydrophobicContact CE2-CD1 3.95Å; F18-L160 HydrophobicContact CZ-CD1 3.92Å; L32-L160 HydrophobicContact CD1-CD2 4.03Å; L36-L160 HydrophobicContact CD2-CD2 3.87Å; W47-L160 HydrophobicContact CZ3-CB 4.11Å; W47-L160 HydrophobicContact CZ3-CD2 4.49Å; E50-L160 WeakPolarHBondContact CG-O 3.34Å; F51-L160 HydrophobicContact CE2-CB 3.84Å; F51-L160 HydrophobicContact CE2-CD2 3.58Å; F51-L160 HydrophobicContact CE2-CG 4.04Å; F51-L160 HydrophobicContact CZ-CB 3.78Å; F51-L160 HydrophobicContact CZ-CD2 3.59Å; F51-L160 HydrophobicContact CZ-CG 3.71Å; P157-L160 HydrophobicContact CB-CD1 4.29Å; P157-L160 HydrophobicContact CB-CD2 4.29Å; P157-L160 VanDerWaalsContact O-CB 3.29Å; P157-L160 WeakPolarHBondContact O-CB 3.04Å; P157-L160 VanDerWaalsContact O-CD1 3.27Å; P157-L160 WeakPolarHBondContact O-CD1 3.36Å; P157-L160 PolarHBondContact O-N 2.99Å; L158-L160 PolarHBondContact O-N 2.85Å; L158-L160 VanDerWaalsContact O-N 3.13Å; L160-H163 PolarHBondContact O-CD2 3.27Å; L160-H163 VanDerWaalsContact O-CD2 3.28Å; L160-P353 HydrophobicContact CD1-CG 3.43Å; L160-P353 VanDerWaalsContact CD1-CG 3.43Å; L160-P353 HydrophobicContact CG-CG 4.41Å; L160-I354 HydrophobicContact CD1-CD1 4.04Å; L160-I354 HydrophobicContact CD1-CG1 4.12Å; L160-I354 HydrophobicContact CD2-CD1 3.95Å; L160-I354 HydrophobicContact CD2-CG1 3.96Å; L160-I354 HydrophobicContact CG-CD1 4Å; L160-I354 HydrophobicContact CG-CG1 3.68Å
161L97Very high95.1Very high0 Ų019.6 Ų19.60%011%0.106CC..Hα-helixtrans-99.7-38176.7-63.8-177000112.3L46 W47 E50 F102 L158 A159 H163 W164 L206 V209L46-L161 HydrophobicContact CB-CD1 4.01Å; L46-L161 HydrophobicContact CB-CD2 4.17Å; L46-L161 HydrophobicContact CD1-CD1 4.48Å; W47-L161 HydrophobicContact CD2-CD1 3.82Å; W47-L161 HydrophobicContact CD2-CD2 4.35Å; W47-L161 HydrophobicContact CD2-CG 4.14Å; W47-L161 HydrophobicContact CE3-CD1 4.1Å; W47-L161 HydrophobicContact CE3-CD2 4.2Å; W47-L161 HydrophobicContact CE3-CG 3.93Å; W47-L161 HydrophobicContact CG-CD1 4.43Å; W47-L161 HydrophobicContact CH2-CD1 4Å; W47-L161 HydrophobicContact CH2-CG 4.16Å; W47-L161 HydrophobicContact CZ2-CD1 3.7Å; W47-L161 HydrophobicContact CZ2-CG 4.35Å; W47-L161 HydrophobicContact CZ3-CD1 4.19Å; W47-L161 HydrophobicContact CZ3-CG 3.95Å; E50-L161 HydrophobicContact CB-CD2 4.03Å; F102-L161 HydrophobicContact CD1-CD1 4.24Å; F102-L161 HydrophobicContact CE1-CD1 4.31Å; L158-L161 HydrophobicContact CD1-CD1 4.49Å; L158-L161 PolarHBondContact O-N 3.05Å; A159-L161 PolarHBondContact O-N 3.04Å; L161-H163 PolarHBondContact O-N 2.84Å; L161-W164 VanDerWaalsContact O-CD1 3.31Å; L161-L206 HydrophobicContact CD2-CD2 4.12Å; L161-V209 HydrophobicContact CB-CG1 4.11Å
162L97.9Very high95.5Very high0 Ų016 Ų160%09%0.089CC..Hα-helixtrans-85-5.2-170.9-73.3178.6000115M111 W137 Y140 L158 W164 P165 L166 V209 E212M111-L162 HydrophobicContact CE-CD1 4.4Å; M111-L162 HydrophobicContact CE-CD2 4.25Å; W137-L162 HydrophobicContact CH2-CB 4.11Å; W137-L162 HydrophobicContact CZ3-CB 4.25Å; Y140-L162 HydrophobicContact CE1-CD1 3.48Å; Y140-L162 VanDerWaalsContact CE1-CD1 3.48Å; Y140-L162 VanDerWaalsContact CZ-CD1 3.43Å; Y140-L162 WeakPolarHBondContact OH-CD1 3.25Å; L158-L162 HydrophobicContact CD1-CD1 4.34Å; L158-L162 HydrophobicContact CD1-CG 4.38Å; L158-L162 HydrophobicContact CD2-CD1 3.47Å; L158-L162 VanDerWaalsContact CD2-CD1 3.47Å; L158-L162 HydrophobicContact CD2-CG 4.36Å; L158-L162 HydrophobicContact CG-CD1 3.52Å; L158-L162 HydrophobicContact CG-CG 3.93Å; L158-L162 PolarHBondContact O-N 3.47Å; L162-W164 PolarHBondContact O-N 2.75Å; L162-W164 VanDerWaalsContact O-N 3.15Å; L162-P165 HydrophobicContact CD2-CG 3.88Å; L162-P165 WeakPolarHBondContact O-CD 3.24Å; L162-P165 WeakPolarHBondContact O-CG 3.47Å; L162-L166 HydrophobicContact CB-CD1 4.46Å; L162-L166 HydrophobicContact CB-CG 4.44Å; L162-L166 WeakPolarHBondContact O-CB 3.4Å; L162-L166 WeakPolarHBondContact O-CG 3.03Å; L162-L166 PolarHBondContact O-N 2.81Å; L162-V209 HydrophobicContact CD2-CB 4.13Å; L162-E212 HydrophobicContact CD2-CB 4.2Å; L162-E212 HydrophobicContact CD2-CG 4.37Å
163H98.1Very high95.9Very high0 Ų08.9 Ų8.90%06%0.059CC..Hα-helixtrans-60.2-27.6178.875.889.7000112.1E50 W137 A159 L160 L161 T167 F350 N368E50-H163 IonicContact OE1-NE2 2.72Å; E50-H163 PolarHBondContact OE1-NE2 2.77Å; W137-H163 HydrophobicContact CH2-CB 4.25Å; W137-H163 HydrophobicContact CZ2-CB 3.88Å; A159-H163 PolarHBondContact O-N 3.22Å; L160-H163 PolarHBondContact O-CD2 3.27Å; L160-H163 VanDerWaalsContact O-CD2 3.28Å; L161-H163 PolarHBondContact O-N 2.84Å; H163-T167 WeakPolarHBondContact O-CB 3.42Å; H163-T167 PolarHBondContact O-N 3.28Å; H163-T167 PolarHBondContact O-OG1 3.47Å; H163-F350 WeakPolarHBondContact CB-O 3.32Å; H163-N368 PolarHBondContact ND1-ND2 2.94Å
164W98.1Very high96.2Very high3 Ų38 Ų81%0.0115%0.047CC..Hα-helixtrans-64.3-63176-49.8103.3000113.1E50 L161 L162 L166 T167 L168 E203 F210 F275E50-W164 PolarHBondContact OE2-NE1 3.38Å; L161-W164 VanDerWaalsContact O-CD1 3.31Å; L162-W164 PolarHBondContact O-N 2.75Å; L162-W164 VanDerWaalsContact O-N 3.15Å; W164-L166 VanDerWaalsContact C-N 3.33Å; W164-L166 PolarHBondContact O-N 3.2Å; W164-T167 PolarHBondContact O-N 3.19Å; W164-L168 PolarHBondContact O-N 3.35Å; W164-E203 HydrophobicContact CD2-CG 3.75Å; W164-E203 HydrophobicContact CE3-CG 3.48Å; W164-E203 VanDerWaalsContact CE3-CG 3.48Å; W164-E203 HydrophobicContact CG-CG 4.39Å; W164-E203 HydrophobicContact CH2-CG 4.21Å; W164-E203 HydrophobicContact CZ2-CG 4.45Å; W164-E203 HydrophobicContact CZ3-CG 3.71Å; W164-E203 WeakPolarHBondContact CZ3-OE1 3.47Å; W164-F210 HydrophobicContact CB-CE2 4.25Å; W164-F210 HydrophobicContact CB-CZ 3.82Å; W164-F275 HydrophobicContact CE3-CB 3.98Å; W164-F275 HydrophobicContact CE3-CD1 4.38Å; W164-F275 AromaticContact CE3-CD2 3.87Å; W164-F275 HydrophobicContact CE3-CD2 3.87Å; W164-F275 HydrophobicContact CE3-CE2 4.42Å; W164-F275 AromaticContact CE3-CG 3.85Å; W164-F275 HydrophobicContact CE3-CG 3.85Å; W164-F275 HydrophobicContact CZ3-CB 3.62Å; W164-F275 HydrophobicContact CZ3-CD2 4.32Å; W164-F275 HydrophobicContact CZ3-CG 4.03Å
165P98.4Very high96.1Very high0 Ų08.9 Ų8.90%05%0.051CC..Hα-helixtrans-65.6-34.3179.826.4-36.9000112.6L162 L168 Y169 V209 F210 L213L162-P165 HydrophobicContact CD2-CG 3.88Å; L162-P165 WeakPolarHBondContact O-CD 3.24Å; L162-P165 WeakPolarHBondContact O-CG 3.47Å; P165-L168 WeakPolarHBondContact O-CB 2.78Å; P165-L168 PolarHBondContact O-N 2.95Å; P165-Y169 WeakPolarHBondContact O-CB 3.13Å; P165-Y169 PolarHBondContact O-N 3.11Å; P165-V209 HydrophobicContact CG-CB 4.46Å; P165-V209 HydrophobicContact CG-CG2 3.96Å; P165-F210 HydrophobicContact CB-CD1 4.28Å; P165-L213 HydrophobicContact CB-CD2 3.91Å; P165-L213 HydrophobicContact CB-CG 4.05Å; P165-L213 WeakPolarHBondContact O-CD2 3.27Å
166L98.4Very high96.2Very high0 Ų06.1 Ų6.10%03%0.031CC..Hα-helixtrans-72.2-30.3179.3-65.7-168.6000113.1W137 Y140 L162 W164 Y169 H170 L216 F350W137-L166 HydrophobicContact CE3-CD1 4.01Å; W137-L166 HydrophobicContact CH2-CD1 3.85Å; W137-L166 HydrophobicContact CZ3-CD1 3.4Å; W137-L166 VanDerWaalsContact CZ3-CD1 3.4Å; Y140-L166 HydrophobicContact CD1-CD1 3.85Å; Y140-L166 HydrophobicContact CD2-CD1 3.62Å; Y140-L166 HydrophobicContact CD2-CD2 3.82Å; Y140-L166 HydrophobicContact CD2-CG 4.36Å; Y140-L166 HydrophobicContact CE1-CD1 4.26Å; Y140-L166 HydrophobicContact CE2-CD1 4.02Å; Y140-L166 HydrophobicContact CE2-CD2 3.91Å; Y140-L166 HydrophobicContact CE2-CG 4.49Å; Y140-L166 HydrophobicContact CG-CD1 3.54Å; L162-L166 HydrophobicContact CB-CD1 4.46Å; L162-L166 HydrophobicContact CB-CG 4.44Å; L162-L166 WeakPolarHBondContact O-CB 3.4Å; L162-L166 WeakPolarHBondContact O-CG 3.03Å; L162-L166 PolarHBondContact O-N 2.81Å; W164-L166 VanDerWaalsContact C-N 3.33Å; W164-L166 PolarHBondContact O-N 3.2Å; L166-Y169 PolarHBondContact O-N 2.73Å; L166-H170 WeakPolarHBondContact O-CB 3.47Å; L166-H170 PolarHBondContact O-N 3.35Å; L166-L216 HydrophobicContact CD2-CD1 3.53Å; L166-L216 HydrophobicContact CD2-CD2 4.41Å; L166-F350 HydrophobicContact CB-CB 3.81Å; L166-F350 HydrophobicContact CB-CD1 3.77Å; L166-F350 HydrophobicContact CB-CD2 4.26Å; L166-F350 HydrophobicContact CB-CE1 4.4Å; L166-F350 HydrophobicContact CB-CG 3.68Å; L166-F350 HydrophobicContact CD1-CD1 3.54Å; L166-F350 HydrophobicContact CD1-CE1 3.8Å; L166-F350 HydrophobicContact CD1-CG 4.33Å; L166-F350 HydrophobicContact CG-CD1 4.29Å
167T98.6Very high96.1Very high0 Ų07 Ų70%04%0.038CC..Hα-helixtrans-63.9-45.1169.3-61.90000110.7H163 W164 H170 I171 F275 T302 N348 N368 I371H163-T167 WeakPolarHBondContact O-CB 3.42Å; H163-T167 PolarHBondContact O-N 3.28Å; H163-T167 PolarHBondContact O-OG1 3.47Å; W164-T167 PolarHBondContact O-N 3.19Å; T167-H170 PolarHBondContact O-N 2.92Å; T167-I171 HydrophobicContact CG2-CD1 4.08Å; T167-I171 WeakPolarHBondContact O-CG1 3.3Å; T167-I171 PolarHBondContact O-N 3.48Å; T167-F275 HydrophobicContact CG2-CD1 4.25Å; T167-F275 HydrophobicContact CG2-CE1 3.78Å; T167-T302 HydrophobicContact CG2-CG2 3.7Å; T167-N348 PolarHBondContact OG1-ND2 3.26Å; T167-N368 HydrophobicContact CG2-CB 4.46Å; T167-N368 PolarHBondContact OG1-ND2 2.75Å; T167-I371 HydrophobicContact CG2-CD1 4.22Å; T167-I371 HydrophobicContact CG2-CG1 4.28Å
168L98.6Very high95.8Very high0 Ų012.1 Ų12.10%06%0.062CC..Hα-helixtrans-59.4-49.2175.6-177.8158.7000111.1W164 P165 H170 I171 V172 I195 V197 L213 F217 I225 I273 F275W164-L168 PolarHBondContact O-N 3.35Å; P165-L168 WeakPolarHBondContact O-CB 2.78Å; P165-L168 PolarHBondContact O-N 2.95Å; L168-H170 VanDerWaalsContact C-N 3.31Å; L168-H170 PolarHBondContact O-N 3.49Å; L168-I171 PolarHBondContact O-N 3.26Å; L168-V172 HydrophobicContact CD2-CG2 4.13Å; L168-V172 WeakPolarHBondContact O-CG2 3.43Å; L168-V172 PolarHBondContact O-N 3.48Å; L168-I195 HydrophobicContact CD1-CD1 4.14Å; L168-I195 HydrophobicContact CD1-CG2 4.35Å; L168-I195 HydrophobicContact CD2-CD1 3.73Å; L168-I195 HydrophobicContact CG-CD1 4.19Å; L168-V197 HydrophobicContact CD1-CG2 4.43Å; L168-L213 HydrophobicContact CD1-CD1 4.19Å; L168-L213 HydrophobicContact CD2-CD1 4.05Å; L168-L213 HydrophobicContact CD2-CD2 3.86Å; L168-F217 HydrophobicContact CD2-CE2 4.28Å; L168-F217 HydrophobicContact CD2-CZ 3.98Å; L168-I225 HydrophobicContact CD1-CD1 4.21Å; L168-I273 HydrophobicContact CB-CD1 4.23Å; L168-I273 HydrophobicContact CD1-CD1 4.28Å; L168-I273 HydrophobicContact CG-CD1 3.77Å; L168-F275 HydrophobicContact CB-CZ 4.23Å
169Y98.2Very high95.2Very high0 Ų014.8 Ų14.80%08%0.076CC..Hα-helixtrans-53.9-49175159-93.4000111.2V130 I132 L134 P165 L166 I171 V172 A173 L216 F217 F350V130-Y169 HydrophobicContact CB-CD2 4.49Å; V130-Y169 HydrophobicContact CB-CE2 3.83Å; V130-Y169 HydrophobicContact CG1-CD2 3.8Å; V130-Y169 HydrophobicContact CG1-CE2 3.59Å; V130-Y169 HydrophobicContact CG2-CE2 4.21Å; I132-Y169 HydrophobicContact CG2-CE2 4.2Å; I132-Y169 PolarHBondContact O-OH 3.43Å; L134-Y169 HydrophobicContact CB-CE1 3.78Å; L134-Y169 HydrophobicContact CD1-CE1 4.1Å; L134-Y169 HydrophobicContact CG-CE1 4.19Å; L134-Y169 PolarHBondContact N-OH 3.36Å; P165-Y169 WeakPolarHBondContact O-CB 3.13Å; P165-Y169 PolarHBondContact O-N 3.11Å; L166-Y169 PolarHBondContact O-N 2.73Å; Y169-I171 VanDerWaalsContact C-N 3.33Å; Y169-I171 PolarHBondContact O-N 3.42Å; Y169-V172 PolarHBondContact O-N 2.95Å; Y169-V172 VanDerWaalsContact O-N 3.16Å; Y169-A173 HydrophobicContact CD2-CB 4.44Å; Y169-A173 HydrophobicContact CE1-CB 4.29Å; Y169-A173 HydrophobicContact CE2-CB 4.03Å; Y169-A173 WeakPolarHBondContact O-CB 3.23Å; Y169-A173 PolarHBondContact O-N 3.21Å; Y169-L216 HydrophobicContact CD2-CB 3.68Å; Y169-L216 HydrophobicContact CD2-CD1 4.21Å; Y169-L216 HydrophobicContact CD2-CD2 4.21Å; Y169-L216 HydrophobicContact CD2-CG 4.25Å; Y169-L216 HydrophobicContact CE2-CB 4.16Å; Y169-L216 HydrophobicContact CE2-CD2 4.29Å; Y169-L216 HydrophobicContact CG-CB 4.39Å; Y169-L216 HydrophobicContact CG-CD1 4.08Å; Y169-L216 HydrophobicContact CG-CD2 4.48Å; Y169-F217 HydrophobicContact CD2-CE2 4.28Å; Y169-F350 HydrophobicContact CD1-CE2 4.43Å; Y169-F350 HydrophobicContact CE1-CE2 4.45Å
170H97.5Very high94.7Very high14 Ų1416.7 Ų16.77%0.0659%0.086CC..Hα-helixtrans-62.8-39.8-178-177.382.2000112.1L166 T167 L168 H174 K175 F350L166-H170 WeakPolarHBondContact O-CB 3.47Å; L166-H170 PolarHBondContact O-N 3.35Å; T167-H170 PolarHBondContact O-N 2.92Å; L168-H170 VanDerWaalsContact C-N 3.31Å; L168-H170 PolarHBondContact O-N 3.49Å; H170-H174 AromaticContact CE1-CD2 3.65Å; H170-H174 AromaticContact ND1-CD2 3.32Å; H170-H174 PolarHBondContact ND1-CD2 3.43Å; H170-H174 VanDerWaalsContact ND1-CD2 3.32Å; H170-H174 WeakPolarHBondContact O-CB 3.3Å; H170-H174 PolarHBondContact O-N 3.08Å; H170-K175 WeakPolarHBondContact NE2-CE 3.26Å; H170-F350 HydrophobicContact CB-CD2 3.79Å; H170-F350 HydrophobicContact CB-CE2 4.06Å; H170-F350 AromaticContact ND1-CE2 3.95Å
171I96.9Very high94.3Very high0 Ų019.7 Ų19.70%011%0.106CC..Iπ-helixtrans-60.1-49.2174.3-68.9165.9000110.1T167 L168 Y169 K175 L176 L271 I273 F300 I371T167-I171 HydrophobicContact CG2-CD1 4.08Å; T167-I171 WeakPolarHBondContact O-CG1 3.3Å; T167-I171 PolarHBondContact O-N 3.48Å; L168-I171 PolarHBondContact O-N 3.26Å; Y169-I171 VanDerWaalsContact C-N 3.33Å; Y169-I171 PolarHBondContact O-N 3.42Å; I171-K175 HydrophobicContact CG2-CB 4.49Å; I171-K175 CarbonylContact O-C 3.49Å; I171-K175 WeakPolarHBondContact O-CA 3.47Å; I171-K175 WeakPolarHBondContact O-CB 3.29Å; I171-K175 PolarHBondContact O-N 2.87Å; I171-L176 PolarHBondContact O-N 2.99Å; I171-L271 HydrophobicContact CG2-CD1 4.27Å; I171-L271 HydrophobicContact CG2-CD2 3.89Å; I171-I273 HydrophobicContact CB-CD1 4.43Å; I171-I273 HydrophobicContact CD1-CD1 4.02Å; I171-I273 HydrophobicContact CD1-CG1 4.21Å; I171-I273 HydrophobicContact CD1-CG2 4.06Å; I171-I273 HydrophobicContact CG2-CD1 4.3Å; I171-F300 HydrophobicContact CD1-CB 4Å; I171-F300 HydrophobicContact CG1-CB 4.44Å; I171-F300 HydrophobicContact CG2-CB 4.06Å; I171-F300 HydrophobicContact CG2-CD1 4.4Å; I171-F300 HydrophobicContact CG2-CD2 3.4Å; I171-F300 HydrophobicContact CG2-CE2 3.82Å; I171-F300 HydrophobicContact CG2-CG 3.7Å; I171-F300 HydrophobicContact CG2-CZ 4.47Å; I171-I371 HydrophobicContact CD1-CG2 4.28Å; I171-I371 HydrophobicContact CG1-CD1 4.15Å; I171-I371 HydrophobicContact CG1-CG1 4.47Å; I171-I371 HydrophobicContact CG1-CG2 3.97Å
172V96.6Very high93.9Very high2 Ų227.7 Ų27.71%0.01214%0.141CC..Iπ-helixtrans-69.8-39-177.7-178.50000112.4L129 L168 Y169 L176 P177 L193 I195 F217 L271L129-V172 HydrophobicContact CB-CG1 4.17Å; L129-V172 HydrophobicContact CD1-CG1 3.66Å; L129-V172 HydrophobicContact CG-CG1 4.49Å; L168-V172 HydrophobicContact CD2-CG2 4.13Å; L168-V172 WeakPolarHBondContact O-CG2 3.43Å; L168-V172 PolarHBondContact O-N 3.48Å; Y169-V172 PolarHBondContact O-N 2.95Å; Y169-V172 VanDerWaalsContact O-N 3.16Å; V172-L176 HydrophobicContact CG1-CD2 4.35Å; V172-P177 WeakPolarHBondContact O-CD 3.26Å; V172-L193 HydrophobicContact CG1-CD2 4.24Å; V172-I195 HydrophobicContact CG2-CD1 4.19Å; V172-F217 HydrophobicContact CB-CE1 3.96Å; V172-F217 HydrophobicContact CB-CZ 3.85Å; V172-F217 HydrophobicContact CG1-CE1 3.58Å; V172-F217 HydrophobicContact CG1-CZ 4.03Å; V172-F217 HydrophobicContact CG2-CE1 4.26Å; V172-F217 HydrophobicContact CG2-CZ 4.01Å; V172-L271 HydrophobicContact CG2-CD2 3.5Å; V172-L271 VanDerWaalsContact CG2-CD2 3.5Å
173A94.4Very high93.6Very high13 Ų1328.3 Ų28.311%0.10715%0.145CC..Iπ-helixtrans-71.3-41.7-177.400000112.3V130 Y169V130-A173 HydrophobicContact CG1-CB 4.01Å; V130-A173 HydrophobicContact CG2-CB 3.89Å; Y169-A173 HydrophobicContact CD2-CB 4.44Å; Y169-A173 HydrophobicContact CE1-CB 4.29Å; Y169-A173 HydrophobicContact CE2-CB 4.03Å; Y169-A173 WeakPolarHBondContact O-CB 3.23Å; Y169-A173 PolarHBondContact O-N 3.21Å
174H92.4Very high93.4Very high46 Ų4628.5 Ų28.521%0.21315%0.146CC..Iπ-helixtrans-120.2-33.7-164.9-61.9-63.1000114.1N133 L134 H170 Q178N133-H174 PolarHBondContact OD1-CE1 2.79Å; N133-H174 PolarHBondContact OD1-NE2 3.46Å; L134-H174 PolarHBondContact O-NE2 2.84Å; H170-H174 AromaticContact CE1-CD2 3.65Å; H170-H174 AromaticContact ND1-CD2 3.32Å; H170-H174 PolarHBondContact ND1-CD2 3.43Å; H170-H174 VanDerWaalsContact ND1-CD2 3.32Å; H170-H174 WeakPolarHBondContact O-CB 3.3Å; H170-H174 PolarHBondContact O-N 3.08Å; H174-Q178 WeakPolarHBondContact O-CG 3.32Å; H174-Q178 PolarHBondContact O-NE2 3.22Å
175K91.4Very high93.2Very high20 Ų2031 Ų319%0.08716%0.162CC..Iπ-helixtrans-96-40-172.7-53.8-56.2179.2-176.70112.9H170 I171 Q178 I179 F300 F346H170-K175 WeakPolarHBondContact NE2-CE 3.26Å; I171-K175 HydrophobicContact CG2-CB 4.49Å; I171-K175 CarbonylContact O-C 3.49Å; I171-K175 WeakPolarHBondContact O-CA 3.47Å; I171-K175 WeakPolarHBondContact O-CB 3.29Å; I171-K175 PolarHBondContact O-N 2.87Å; K175-Q178 PolarHBondContact O-N 2.87Å; K175-I179 PolarHBondContact O-N 2.86Å; K175-I179 VanDerWaalsContact O-N 3.16Å; K175-F300 HydrophobicContact CB-CD1 4.31Å; K175-F300 HydrophobicContact CB-CE1 3.52Å; K175-F300 HydrophobicContact CB-CE2 4.38Å; K175-F300 HydrophobicContact CB-CZ 3.54Å; K175-F300 HydrophobicContact CG-CE1 4.43Å; K175-F346 HydrophobicContact CD-CD2 3.97Å; K175-F346 HydrophobicContact CD-CE2 3.9Å; K175-F346 HydrophobicContact CD-CG 4.36Å; K175-F346 HydrophobicContact CD-CZ 4.21Å; K175-F346 VanDerWaalsContact NZ-CG 3.35Å
176L92.5Very high93Very high0 Ų037 Ų370%019%0.188CC..Hα-helixtrans-60.6-44.9176.618061.8000112.4L129 I171 V172 Q178 I179 N180 I184 L271 P298L129-L176 HydrophobicContact CD1-CD2 4.47Å; I171-L176 PolarHBondContact O-N 2.99Å; V172-L176 HydrophobicContact CG1-CD2 4.35Å; L176-Q178 VanDerWaalsContact C-N 3.26Å; L176-Q178 PolarHBondContact O-N 2.83Å; L176-I179 PolarHBondContact O-N 3.46Å; L176-N180 HydrophobicContact CD1-CB 4.46Å; L176-N180 CarbonylContact O-C 3.55Å; L176-N180 PolarHBondContact O-N 3.12Å; L176-I184 HydrophobicContact CD2-CD1 4.11Å; L176-I184 HydrophobicContact CG-CD1 4.19Å; L176-L271 HydrophobicContact CD1-CD1 4.22Å; L176-P298 HydrophobicContact CD1-CB 3.72Å; L176-P298 HydrophobicContact CD1-CG 3.86Å
177P90.7Very high92.9Very high44 Ų4437 Ų3729%0.28619%0.188SC..Hα-helixtrans-64.7-29.2177.2-22.835.9000113.4V172 P181 I184V172-P177 WeakPolarHBondContact O-CD 3.26Å; P177-P181 WeakPolarHBondContact O-CA 3.45Å; P177-P181 WeakPolarHBondContact O-CB 3.25Å; P177-P181 VanDerWaalsContact O-CD 3.29Å; P177-P181 WeakPolarHBondContact O-CD 3.41Å; P177-I184 HydrophobicContact CB-CG1 4.48Å; P177-I184 HydrophobicContact CG-CD1 4.15Å; P177-I184 HydrophobicContact CG-CG1 4.36Å
178Q86.6Confident92.7Very high111 Ų11138.8 Ų38.852%0.51920%0.198SC..Hα-helixtrans-70.6-40.6177.2-70.3174.2-3.800112H174 K175 L176H174-Q178 WeakPolarHBondContact O-CG 3.32Å; H174-Q178 PolarHBondContact O-NE2 3.22Å; K175-Q178 PolarHBondContact O-N 2.87Å; L176-Q178 VanDerWaalsContact C-N 3.26Å; L176-Q178 PolarHBondContact O-N 2.83Å
179I84.1Confident92.6Very high55 Ų5545.3 Ų45.328%0.28223%0.231SC..Hα-helixtrans-86.4-37-177.3-62.8-167000112.2K175 L176 F300K175-I179 PolarHBondContact O-N 2.86Å; K175-I179 VanDerWaalsContact O-N 3.16Å; L176-I179 PolarHBondContact O-N 3.46Å; I179-F300 HydrophobicContact CB-CZ 4.38Å; I179-F300 HydrophobicContact CD1-CE1 3.49Å; I179-F300 VanDerWaalsContact CD1-CE1 3.49Å; I179-F300 HydrophobicContact CD1-CE2 4.34Å; I179-F300 HydrophobicContact CD1-CZ 3.34Å; I179-F300 HydrophobicContact CG1-CE1 4.4Å; I179-F300 HydrophobicContact CG1-CZ 3.94Å
180N87.3Confident92.4Very high41 Ų4150 Ų5022%0.21926%0.256CS..  trans-144.473.6-176.6-168.4-9.1000111.6L176 F182 C183 P298L176-N180 HydrophobicContact CD1-CB 4.46Å; L176-N180 CarbonylContact O-C 3.55Å; L176-N180 PolarHBondContact O-N 3.12Å; N180-F182 PolarHBondContact O-N 3.4Å; N180-C183 PolarHBondContact O-N 2.98Å; N180-C183 PolarHBondContact O-SG 3.14Å; N180-C183 PolarHBondContact OD1-N 3.36Å; N180-P298 HydrophobicContact CB-CG 3.83Å; N180-P298 WeakPolarHBondContact ND2-CG 3.42Å
181P87.4Confident92.4Very high64 Ų6456.8 Ų56.842%0.41628%0.282SS..THydrogen-bonded Turntrans-62.5-27.3-178.723.2-32.5000113P177 C183 I184 P185P177-P181 WeakPolarHBondContact O-CA 3.45Å; P177-P181 WeakPolarHBondContact O-CB 3.25Å; P177-P181 VanDerWaalsContact O-CD 3.29Å; P177-P181 WeakPolarHBondContact O-CD 3.41Å; P181-C183 VanDerWaalsContact C-N 3.29Å; P181-C183 PolarHBondContact O-N 2.92Å; P181-I184 PolarHBondContact O-N 2.69Å; P181-P185 WeakPolarHBondContact O-CD 3.29Å
182F88.5Confident92.3Very high169 Ų16959.3 Ų59.374%0.74129%0.293SS*.THydrogen-bonded Turntrans-70.7-20.6-177.3-56.4-73.5000113.8N180 I184N180-F182 PolarHBondContact O-N 3.4Å; F182-I184 VanDerWaalsContact C-N 3.32Å
183C90.4Very high92.4Very high13 Ų1359.2 Ų59.29%0.08829%0.292CS..Hα-helixtrans-72.3-27.5176.977.50000112.3N180 P181 K186 I187N180-C183 PolarHBondContact O-N 2.98Å; N180-C183 PolarHBondContact O-SG 3.14Å; N180-C183 PolarHBondContact OD1-N 3.36Å; P181-C183 VanDerWaalsContact C-N 3.29Å; P181-C183 PolarHBondContact O-N 2.92Å; C183-K186 WeakPolarHBondContact O-CB 3.42Å; C183-K186 PolarHBondContact O-N 3.34Å; C183-I187 HydrophobicContact CB-CD1 4.24Å; C183-I187 WeakPolarHBondContact O-CD1 3.38Å; C183-I187 VanDerWaalsContact O-CG1 3.29Å; C183-I187 WeakPolarHBondContact O-CG1 3.29Å; C183-I187 PolarHBondContact O-N 2.94Å
184I93.9Very high92.5Very high4 Ų458.9 Ų58.92%0.02129%0.288CS..Hα-helixtrans-62.7-50.5-173.1-52.6-61.7000112.1P127 L129 L176 P177 P181 F182 K186 I187 L188P127-I184 HydrophobicContact CB-CG2 4.2Å; P127-I184 HydrophobicContact CG-CG2 4.4Å; P127-I184 WeakPolarHBondContact O-CG2 2.99Å; L129-I184 HydrophobicContact CD1-CD1 3.67Å; L129-I184 HydrophobicContact CD2-CG2 3.99Å; L129-I184 HydrophobicContact CG-CD1 3.92Å; L129-I184 HydrophobicContact CG-CG2 3.99Å; L176-I184 HydrophobicContact CD2-CD1 4.11Å; L176-I184 HydrophobicContact CG-CD1 4.19Å; P177-I184 HydrophobicContact CB-CG1 4.48Å; P177-I184 HydrophobicContact CG-CD1 4.15Å; P177-I184 HydrophobicContact CG-CG1 4.36Å; P181-I184 PolarHBondContact O-N 2.69Å; F182-I184 VanDerWaalsContact C-N 3.32Å; I184-K186 VanDerWaalsContact C-N 3.3Å; I184-K186 PolarHBondContact O-N 3.46Å; I184-I187 PolarHBondContact O-N 3.39Å; I184-L188 HydrophobicContact CG2-CD1 4.13Å; I184-L188 WeakPolarHBondContact O-CG 3.47Å; I184-L188 PolarHBondContact O-N 3.24Å
185P94.1Very high92.8Very high55 Ų5556.7 Ų56.736%0.35728%0.278SS..Hα-helixtrans-59.6-38.4174.9-24.234.8000113.2P127 P181 L188 I189P127-P185 HydrophobicContact CG-CG 4.2Å; P181-P185 WeakPolarHBondContact O-CD 3.29Å; P185-L188 PolarHBondContact O-N 3.49Å; P185-I189 WeakPolarHBondContact O-CD1 3.34Å; P185-I189 VanDerWaalsContact O-CG1 3.25Å; P185-I189 WeakPolarHBondContact O-CG1 3.49Å; P185-I189 PolarHBondContact O-N 3.31Å
186K94Very high93.1Very high125 Ų12555.9 Ų55.954%0.54327%0.274SS..Hα-helixtrans-62.2-46.4179.1-178.1-171.4173.5-165.20111.2C183 I184 L188 I189 N190C183-K186 WeakPolarHBondContact O-CB 3.42Å; C183-K186 PolarHBondContact O-N 3.34Å; I184-K186 VanDerWaalsContact C-N 3.3Å; I184-K186 PolarHBondContact O-N 3.46Å; K186-L188 VanDerWaalsContact C-N 3.34Å; K186-L188 PolarHBondContact O-N 3.04Å; K186-I189 PolarHBondContact O-N 3.32Å; K186-N190 WeakPolarHBondContact O-CB 3.41Å; K186-N190 PolarHBondContact O-N 3.34Å
187I96.3Very high93.4Very high0 Ų055.9 Ų55.90%028%0.275CS..Hα-helixtrans-62.5-42.1177.3-66.3159.7000110.5L129 C183 I184 N190 R191 K192 L193 L221 D270L129-I187 HydrophobicContact CD1-CD1 3.9Å; L129-I187 HydrophobicContact CD1-CG2 4.07Å; L129-I187 HydrophobicContact CD2-CB 3.92Å; L129-I187 HydrophobicContact CD2-CG2 3.5Å; L129-I187 VanDerWaalsContact CD2-CG2 3.5Å; L129-I187 HydrophobicContact CG-CG2 4.45Å; C183-I187 HydrophobicContact CB-CD1 4.24Å; C183-I187 WeakPolarHBondContact O-CD1 3.38Å; C183-I187 VanDerWaalsContact O-CG1 3.29Å; C183-I187 WeakPolarHBondContact O-CG1 3.29Å; C183-I187 PolarHBondContact O-N 2.94Å; I184-I187 PolarHBondContact O-N 3.39Å; I187-N190 PolarHBondContact O-N 3.19Å; I187-R191 WeakPolarHBondContact O-CA 3.46Å; I187-R191 PolarHBondContact O-N 3.01Å; I187-K192 PolarHBondContact O-N 3.2Å; I187-L193 HydrophobicContact CD1-CD1 4.04Å; I187-L193 HydrophobicContact CG2-CB 3.98Å; I187-L193 HydrophobicContact CG2-CD1 4.19Å; I187-L221 HydrophobicContact CG2-CD2 4.46Å; I187-D270 HydrophobicContact CD1-CB 3.84Å; I187-D270 HydrophobicContact CG1-CB 4.16Å
188L95.7Very high93.7Very high39 Ų3953.9 Ų53.920%0.20426%0.262CS..Hα-helixtrans-64.5-39.9177.4-71.9170.8000112.9P127 L129 I184 P185 K186 R191 K218 L221P127-L188 HydrophobicContact CB-CD1 3.73Å; L129-L188 HydrophobicContact CD2-CD2 3.92Å; L129-L188 HydrophobicContact CD2-CG 3.85Å; I184-L188 HydrophobicContact CG2-CD1 4.13Å; I184-L188 WeakPolarHBondContact O-CG 3.47Å; I184-L188 PolarHBondContact O-N 3.24Å; P185-L188 PolarHBondContact O-N 3.49Å; K186-L188 VanDerWaalsContact C-N 3.34Å; K186-L188 PolarHBondContact O-N 3.04Å; L188-R191 WeakPolarHBondContact O-CG 3.43Å; L188-R191 PolarHBondContact O-N 3.49Å; L188-K218 HydrophobicContact CD2-CD 4.19Å; L188-L221 HydrophobicContact CD2-CD2 4.25Å
189I95.4Very high94.2Very high136 Ų13650.4 Ų50.470%0.69726%0.256SS*.Hα-helixtrans-64.6-47.1175.6-70.9163.9000110.3P185 K186 R191P185-I189 WeakPolarHBondContact O-CD1 3.34Å; P185-I189 VanDerWaalsContact O-CG1 3.25Å; P185-I189 WeakPolarHBondContact O-CG1 3.49Å; P185-I189 PolarHBondContact O-N 3.31Å; K186-I189 PolarHBondContact O-N 3.32Å; I189-R191 PolarHBondContact O-N 2.98Å
190N94.9Very high94.8Very high98 Ų9847.9 Ų47.952%0.52424%0.243SC..Hα-helixtrans-72.9-16.7179.5-69.7-8.5000113K186 I187 K192K186-N190 WeakPolarHBondContact O-CB 3.41Å; K186-N190 PolarHBondContact O-N 3.34Å; I187-N190 PolarHBondContact O-N 3.19Å; N190-K192 PolarHBondContact O-N 3.33Å; N190-K192 VanDerWaalsContact O-N 3.12Å
191R96.4Very high95.1Very high158 Ų15850.5 Ų50.560%0.59625%0.254SS*.THydrogen-bonded Turntrans51.529.5-174-60.5-176.7-179.9177-0.6113.4I187 L188 I189 R222I187-R191 WeakPolarHBondContact O-CA 3.46Å; I187-R191 PolarHBondContact O-N 3.01Å; L188-R191 WeakPolarHBondContact O-CG 3.43Å; L188-R191 PolarHBondContact O-N 3.49Å; I189-R191 PolarHBondContact O-N 2.98Å; R191-R222 PolarHBondContact O-N 3.21Å
192K95.9Very high95.3Very high53 Ų5350.4 Ų50.423%0.2325%0.247CC..EExtended strand (participates in β ladder)trans-140.2125-177.2-172.2-178.8176.7-171.70108.6I187 N190 I194 R222 E267I187-K192 PolarHBondContact O-N 3.2Å; N190-K192 PolarHBondContact O-N 3.33Å; N190-K192 VanDerWaalsContact O-N 3.12Å; K192-I194 HydrophobicContact CD-CD1 4.1Å; K192-I194 HydrophobicContact CD-CG1 4.22Å; K192-I194 HydrophobicContact CG-CD1 4.44Å; K192-I194 HydrophobicContact CG-CG1 4.05Å; K192-R222 CarbonylContact C-O 3.48Å; K192-R222 VanDerWaalsContact CA-O 3.32Å; K192-R222 WeakPolarHBondContact CA-O 3.49Å; K192-E267 WeakPolarHBondContact CE-OE1 3.45Å; K192-E267 IonicContact NZ-OE1 3.92Å; K192-E267 PolarHBondContact NZ-OE1 3.31Å; K192-E267 IonicContact NZ-OE2 2.69Å; K192-E267 PolarHBondContact NZ-OE2 3.25Å
193L97.5Very high95.7Very high0 Ų042.8 Ų42.80%021%0.213CC..EExtended strand (participates in β ladder)trans-112.7120.917517461.8000108.5L129 V172 I187 I195 F217 R222 C224 D270L129-L193 HydrophobicContact CD1-CD1 4.24Å; L129-L193 HydrophobicContact CD1-CD2 4.45Å; V172-L193 HydrophobicContact CG1-CD2 4.24Å; I187-L193 HydrophobicContact CD1-CD1 4.04Å; I187-L193 HydrophobicContact CG2-CB 3.98Å; I187-L193 HydrophobicContact CG2-CD1 4.19Å; L193-I195 HydrophobicContact CD1-CG1 4.26Å; L193-I195 HydrophobicContact CD2-CD1 3.97Å; L193-I195 HydrophobicContact CD2-CG1 4.38Å; L193-I195 HydrophobicContact CG-CD1 4.11Å; L193-I195 HydrophobicContact CG-CG1 3.97Å; L193-F217 HydrophobicContact CD2-CD1 3.91Å; L193-F217 HydrophobicContact CD2-CE1 3.48Å; L193-F217 VanDerWaalsContact CD2-CE1 3.48Å; L193-F217 HydrophobicContact CD2-CZ 4.39Å; L193-R222 PolarHBondContact N-O 3.1Å; L193-C224 PolarHBondContact O-N 2.97Å; L193-D270 HydrophobicContact CD1-CB 3.97Å
194I97Very high96Very high6 Ų642.2 Ų42.23%0.03121%0.209CC..EExtended strand (participates in β ladder)trans-112.7118.6-178-53.3176.6000109.4K192 C224 Y226 E267 A269 D270 L271K192-I194 HydrophobicContact CD-CD1 4.1Å; K192-I194 HydrophobicContact CD-CG1 4.22Å; K192-I194 HydrophobicContact CG-CD1 4.44Å; K192-I194 HydrophobicContact CG-CG1 4.05Å; I194-C224 WeakPolarHBondContact CA-O 3.43Å; I194-C224 HydrophobicContact CG1-CB 4.42Å; I194-Y226 HydrophobicContact CG2-CD2 4.2Å; I194-Y226 HydrophobicContact CG2-CE2 3.99Å; I194-E267 HydrophobicContact CD1-CG 3.35Å; I194-E267 VanDerWaalsContact CD1-OE1 3.25Å; I194-E267 WeakPolarHBondContact CD1-OE1 3.48Å; I194-A269 HydrophobicContact CG2-CB 4.34Å; I194-D270 PolarHBondContact N-OD2 3.21Å; I194-D270 PolarHBondContact O-N 3.36Å; I194-L271 PolarHBondContact O-N 3.2Å
195I98.3Very high96.1Very high0 Ų042.4 Ų42.40%021%0.211CC..EExtended strand (participates in β ladder)trans-120.3126.4-177.1-52.8176.4000108.7L168 V172 L193 V197 C224 I225 Y226 L271 I273L168-I195 HydrophobicContact CD1-CD1 4.14Å; L168-I195 HydrophobicContact CD1-CG2 4.35Å; L168-I195 HydrophobicContact CD2-CD1 3.73Å; L168-I195 HydrophobicContact CG-CD1 4.19Å; V172-I195 HydrophobicContact CG2-CD1 4.19Å; L193-I195 HydrophobicContact CD1-CG1 4.26Å; L193-I195 HydrophobicContact CD2-CD1 3.97Å; L193-I195 HydrophobicContact CD2-CG1 4.38Å; L193-I195 HydrophobicContact CG-CD1 4.11Å; L193-I195 HydrophobicContact CG-CG1 3.97Å; I195-V197 HydrophobicContact CG2-CG2 4.16Å; I195-C224 PolarHBondContact N-O 2.82Å; I195-I225 CarbonylContact O-C 3.52Å; I195-I225 VanDerWaalsContact O-CA 3.3Å; I195-I225 WeakPolarHBondContact O-CA 3.44Å; I195-Y226 PolarHBondContact O-N 3.24Å; I195-L271 WeakPolarHBondContact CA-O 3.35Å; I195-L271 HydrophobicContact CG1-CB 4.49Å; I195-I273 HydrophobicContact CG2-CD1 4.07Å; I195-I273 HydrophobicContact CG2-CG1 4.4Å
196H98.2Very high96.2Very high2 Ų239.8 Ų39.81%0.00919%0.194CC..EExtended strand (participates in β ladder)trans-99.3113.8169-65.8172.4000109I198 Y226 I228 Y256 F259 A269 L271 I272 I273H196-I198 HydrophobicContact CB-CG2 4.42Å; H196-Y226 AromaticContact CD2-CD2 3.53Å; H196-Y226 AromaticContact CD2-CG 3.81Å; H196-Y226 AromaticContact NE2-CD2 3.68Å; H196-I228 HydrophobicContact CB-CD1 4.05Å; H196-Y256 HydrophobicContact CB-CE2 3.93Å; H196-Y256 AromaticContact CG-CE2 3.98Å; H196-Y256 AromaticContact ND1-CE2 3.42Å; H196-Y256 WeakPolarHBondContact ND1-CE2 3.32Å; H196-Y256 AromaticContact ND1-CZ 3.61Å; H196-Y256 PolarHBondContact ND1-OH 3.01Å; H196-F259 AromaticContact CE1-CE1 3.58Å; H196-F259 AromaticContact ND1-CE1 3.86Å; H196-F259 AromaticContact NE2-CE1 3.94Å; H196-A269 HydrophobicContact CB-CB 4.34Å; H196-L271 PolarHBondContact N-O 3.46Å; H196-I272 HydrophobicContact CB-CG1 4.21Å; H196-I272 CarbonylContact O-C 3.57Å; H196-I272 VanDerWaalsContact O-CA 3.31Å; H196-I272 WeakPolarHBondContact O-CA 3.47Å; H196-I273 PolarHBondContact O-N 2.72Å
197V98.6Very high96.4Very high1 Ų133.8 Ų33.81%0.00617%0.168CC..EExtended strand (participates in β ladder)trans-95.3117169.8-170.20000108.1L168 I195 V200 I225 Y226 F227 I228 I273 F275L168-V197 HydrophobicContact CD1-CG2 4.43Å; I195-V197 HydrophobicContact CG2-CG2 4.16Å; V197-V200 HydrophobicContact CB-CG2 3.89Å; V197-V200 HydrophobicContact CG1-CG2 3.48Å; V197-V200 VanDerWaalsContact CG1-CG2 3.48Å; V197-V200 WeakPolarHBondContact O-CG2 3.26Å; V197-I225 HydrophobicContact CG2-CG2 3.75Å; V197-Y226 PolarHBondContact N-O 3.18Å; V197-F227 HydrophobicContact CB-CD1 3.83Å; V197-F227 HydrophobicContact CB-CE1 3.98Å; V197-F227 HydrophobicContact CG1-CE1 4.43Å; V197-F227 HydrophobicContact CG2-CD1 4.13Å; V197-F227 HydrophobicContact CG2-CE1 3.9Å; V197-I228 PolarHBondContact O-N 2.74Å; V197-I273 CarbonylContact C-O 3.5Å; V197-I273 WeakPolarHBondContact CA-O 3.32Å; V197-F275 HydrophobicContact CG1-CD2 3.75Å; V197-F275 HydrophobicContact CG1-CE2 3.71Å
198I97.9Very high96.3Very high2 Ų234.2 Ų34.21%0.0117%0.171CC..EExtended strand (participates in β ladder)trans-112.3148.7-171.166.3172.2000111.4H196 V200 I228 Y256 I272 I273 G274 W285 T288 I292 F301H196-I198 HydrophobicContact CB-CG2 4.42Å; I198-V200 VanDerWaalsContact C-N 3.27Å; I198-I228 CarbonylContact C-O 3.17Å; I198-I228 HydrophobicContact CG2-CB 4.4Å; I198-I228 HydrophobicContact CG2-CD1 4.27Å; I198-Y256 HydrophobicContact CB-CD2 4.47Å; I198-Y256 HydrophobicContact CB-CG 4.49Å; I198-Y256 HydrophobicContact CG2-CD1 4.37Å; I198-Y256 HydrophobicContact CG2-CD2 3.3Å; I198-Y256 HydrophobicContact CG2-CE2 3.75Å; I198-Y256 HydrophobicContact CG2-CG 3.64Å; I198-I272 HydrophobicContact CD1-CG2 3.85Å; I198-I272 HydrophobicContact CG1-CG2 4.17Å; I198-I272 HydrophobicContact CG2-CG2 4.1Å; I198-I273 PolarHBondContact N-O 2.84Å; I198-G274 WeakPolarHBondContact O-CA 3.44Å; I198-W285 HydrophobicContact CD1-CH2 3.94Å; I198-W285 HydrophobicContact CD1-CZ3 3.68Å; I198-W285 HydrophobicContact CG1-CH2 4.12Å; I198-W285 HydrophobicContact CG1-CZ3 4.37Å; I198-T288 HydrophobicContact CD1-CG2 4.42Å; I198-I292 HydrophobicContact CD1-CD1 3.6Å; I198-F301 HydrophobicContact CD1-CE1 3.9Å; I198-F301 HydrophobicContact CD1-CZ 4.13Å; I198-F301 HydrophobicContact CG1-CE1 4.31Å
199G96.3Very high96.4Very high38 Ų3832.4 Ų32.439%0.39216%0.161SC..SBendtrans70.427.5-17500000112.3I228G199-I228 PolarHBondContact N-O 2.59Å
200V97Very high96.5Very high2 Ų226 Ų261%0.01213%0.128CC..  trans-65.2137.8178.6172.10000109.6V197 I198 E203 L204 F227 I228 F232V197-V200 HydrophobicContact CB-CG2 3.89Å; V197-V200 HydrophobicContact CG1-CG2 3.48Å; V197-V200 VanDerWaalsContact CG1-CG2 3.48Å; V197-V200 WeakPolarHBondContact O-CG2 3.26Å; I198-V200 VanDerWaalsContact C-N 3.27Å; V200-E203 HydrophobicContact CG1-CB 4.17Å; V200-L204 HydrophobicContact CG1-CB 4.08Å; V200-F227 HydrophobicContact CB-CB 4.36Å; V200-F227 HydrophobicContact CB-CG 4.48Å; V200-F227 HydrophobicContact CG1-CB 4.22Å; V200-F227 HydrophobicContact CG1-CD2 3.77Å; V200-F227 HydrophobicContact CG1-CE2 4.31Å; V200-F227 HydrophobicContact CG1-CG 4.07Å; V200-F227 HydrophobicContact CG2-CB 4.07Å; V200-F227 HydrophobicContact CG2-CD1 4.06Å; V200-F227 HydrophobicContact CG2-CD2 4.4Å; V200-F227 HydrophobicContact CG2-CG 3.94Å; V200-I228 PolarHBondContact N-O 2.94Å; V200-F232 HydrophobicContact CB-CE1 4.06Å; V200-F232 HydrophobicContact CB-CZ 3.81Å; V200-F232 HydrophobicContact CG1-CE1 3.77Å; V200-F232 HydrophobicContact CG1-CZ 3.85Å; V200-F232 WeakPolarHBondContact O-CE1 3.5Å
201E93.8Very high96.6Very high96 Ų9623.4 Ų23.445%0.44911%0.112SC..SBendtrans-129.6-107.7175-64-178177.200108.1P62 E203 L204P62-E201 WeakPolarHBondContact CB-O 3.35Å; E201-E203 VanDerWaalsContact C-OE2 3.29Å; E201-E203 WeakPolarHBondContact CA-OE2 3.44Å; E201-E203 PolarHBondContact N-OE2 3.02Å; E201-E203 PolarHBondContact O-N 3.22Å; E201-E203 VanDerWaalsContact O-N 3.16Å; E201-L204 PolarHBondContact O-N 3.27Å
202K92.3Very high96.6Very high61 Ų6116 Ų1627%0.2659%0.085SC..G310 helixtrans-63.6-20.1-175.871.4-177.5-168.3176.10113.8E50 L204 S205 L206E50-K202 VanDerWaalsContact CD-NZ 3.28Å; E50-K202 PolarHBondContact O-NZ 2.75Å; E50-K202 IonicContact OE1-NZ 2.68Å; E50-K202 PolarHBondContact OE1-NZ 3.34Å; E50-K202 WeakPolarHBondContact OE2-CE 3.47Å; E50-K202 IonicContact OE2-NZ 2.72Å; E50-K202 PolarHBondContact OE2-NZ 3.41Å; K202-L204 PolarHBondContact O-N 3.16Å; K202-S205 WeakPolarHBondContact O-CB 3.35Å; K202-S205 PolarHBondContact O-N 3.39Å; K202-L206 PolarHBondContact O-N 3.26Å
203E96Very high96.7Very high10 Ų1013.5 Ų13.55%0.0477%0.074CC..G310 helixtrans-60.5-27.7179-52.884.8165.900111.7W164 V200 E201 S205 L206 L207 F210 F275W164-E203 HydrophobicContact CD2-CG 3.75Å; W164-E203 HydrophobicContact CE3-CG 3.48Å; W164-E203 VanDerWaalsContact CE3-CG 3.48Å; W164-E203 HydrophobicContact CG-CG 4.39Å; W164-E203 HydrophobicContact CH2-CG 4.21Å; W164-E203 HydrophobicContact CZ2-CG 4.45Å; W164-E203 HydrophobicContact CZ3-CG 3.71Å; W164-E203 WeakPolarHBondContact CZ3-OE1 3.47Å; V200-E203 HydrophobicContact CG1-CB 4.17Å; E201-E203 VanDerWaalsContact C-OE2 3.29Å; E201-E203 WeakPolarHBondContact CA-OE2 3.44Å; E201-E203 PolarHBondContact N-OE2 3.02Å; E201-E203 PolarHBondContact O-N 3.22Å; E201-E203 VanDerWaalsContact O-N 3.16Å; E203-S205 VanDerWaalsContact C-N 3.32Å; E203-S205 PolarHBondContact O-N 3.4Å; E203-L206 CarbonylContact O-C 3.49Å; E203-L206 WeakPolarHBondContact O-CA 3.34Å; E203-L206 WeakPolarHBondContact O-CB 3.39Å; E203-L206 PolarHBondContact O-N 2.8Å; E203-L207 PolarHBondContact O-N 2.98Å; E203-F210 HydrophobicContact CB-CE2 4.36Å; E203-F210 HydrophobicContact CB-CZ 4.45Å; E203-F275 HydrophobicContact CG-CD2 4.3Å
204L96.9Very high96.5Very high0 Ų015.4 Ų15.40%08%0.084CC..G310 helixtrans-62.1-38.1172.2178.159.2000112.1P62 L66 V200 E201 K202 L206 L207 F227 F232 V251P62-L204 HydrophobicContact CB-CB 4.4Å; L66-L204 HydrophobicContact CD1-CD1 4.04Å; L66-L204 HydrophobicContact CD1-CG 4.24Å; V200-L204 HydrophobicContact CG1-CB 4.08Å; E201-L204 PolarHBondContact O-N 3.27Å; K202-L204 PolarHBondContact O-N 3.16Å; L204-L206 PolarHBondContact O-N 3.26Å; L204-L207 HydrophobicContact CD1-CD1 3.86Å; L204-L207 HydrophobicContact CD1-CG 4.11Å; L204-L207 VanDerWaalsContact O-CG 3.29Å; L204-L207 WeakPolarHBondContact O-CG 3.48Å; L204-L207 PolarHBondContact O-N 2.97Å; L204-F227 HydrophobicContact CB-CD2 4.32Å; L204-F227 HydrophobicContact CD1-CD2 4.08Å; L204-F232 HydrophobicContact CB-CD1 4.41Å; L204-F232 HydrophobicContact CB-CE1 4.27Å; L204-F232 HydrophobicContact CD2-CB 3.86Å; L204-F232 HydrophobicContact CD2-CD1 3.46Å; L204-F232 VanDerWaalsContact CD2-CD1 3.46Å; L204-F232 HydrophobicContact CD2-CD2 4.09Å; L204-F232 HydrophobicContact CD2-CE1 3.95Å; L204-F232 HydrophobicContact CD2-CG 3.54Å; L204-F232 HydrophobicContact CD2-CZ 4.44Å; L204-V251 HydrophobicContact CD1-CG1 4.49Å; L204-V251 HydrophobicContact CD1-CG2 3.57Å; L204-V251 HydrophobicContact CD2-CG1 4.15Å
205S95.8Very high96.4Very high8 Ų817.3 Ų17.36%0.0569%0.093CC..G310 helixtrans-70.7-12.6174.5-60.40000112.8L46 P62 G63 K202 E203L46-S205 WeakPolarHBondContact CD2-O 3.45Å; P62-S205 WeakPolarHBondContact CA-OG 3.31Å; G63-S205 PolarHBondContact N-OG 3Å; K202-S205 WeakPolarHBondContact O-CB 3.35Å; K202-S205 PolarHBondContact O-N 3.39Å; E203-S205 VanDerWaalsContact C-N 3.32Å; E203-S205 PolarHBondContact O-N 3.4Å
206L96.6Very high96.3Very high0 Ų017.3 Ų17.30%09%0.093CC..G310 helixtrans-99.812.3-180-62.2172.6000113L46 Y49 E50 L161 K202 E203 L204 P208 V209L46-L206 HydrophobicContact CB-CD2 3.94Å; L46-L206 HydrophobicContact CD2-CD2 4.21Å; Y49-L206 HydrophobicContact CD2-CD2 4.45Å; E50-L206 VanDerWaalsContact OE2-CD1 3.26Å; E50-L206 WeakPolarHBondContact OE2-CD1 3.18Å; L161-L206 HydrophobicContact CD2-CD2 4.12Å; K202-L206 PolarHBondContact O-N 3.26Å; E203-L206 CarbonylContact O-C 3.49Å; E203-L206 WeakPolarHBondContact O-CA 3.34Å; E203-L206 WeakPolarHBondContact O-CB 3.39Å; E203-L206 PolarHBondContact O-N 2.8Å; L204-L206 PolarHBondContact O-N 3.26Å; L206-P208 VanDerWaalsContact C-N 3.28Å; L206-P208 WeakPolarHBondContact O-CD 3.02Å; L206-V209 HydrophobicContact CB-CG1 4.45Å; L206-V209 HydrophobicContact CB-CG2 4.23Å; L206-V209 VanDerWaalsContact O-CG2 3.26Å; L206-V209 WeakPolarHBondContact O-CG2 3.39Å; L206-V209 PolarHBondContact O-N 3.12Å
207L96.8Very high96.2Very high0 Ų017.2 Ų17.20%09%0.092CC..Hα-helixtrans-41-42.2179.8-83.2177.8000116.2L66 W73 E203 L204 V209 F210 F227 Y241 V249L66-L207 HydrophobicContact CD1-CD1 3.71Å; L66-L207 HydrophobicContact CD2-CB 4.08Å; L66-L207 HydrophobicContact CD2-CD1 3.87Å; L66-L207 HydrophobicContact CD2-CG 4.32Å; L66-L207 HydrophobicContact CG-CD1 4.46Å; W73-L207 HydrophobicContact CH2-CB 4.39Å; W73-L207 HydrophobicContact CZ3-CB 4.23Å; E203-L207 PolarHBondContact O-N 2.98Å; L204-L207 HydrophobicContact CD1-CD1 3.86Å; L204-L207 HydrophobicContact CD1-CG 4.11Å; L204-L207 VanDerWaalsContact O-CG 3.29Å; L204-L207 WeakPolarHBondContact O-CG 3.48Å; L204-L207 PolarHBondContact O-N 2.97Å; L207-V209 PolarHBondContact O-N 3.46Å; L207-V209 VanDerWaalsContact O-N 3.13Å; L207-F210 WeakPolarHBondContact O-CB 3.31Å; L207-F210 PolarHBondContact O-N 2.92Å; L207-F227 HydrophobicContact CD2-CD2 4.28Å; L207-F227 HydrophobicContact CD2-CE2 3.8Å; L207-F227 HydrophobicContact CD2-CZ 4.42Å; L207-Y241 HydrophobicContact CD1-CD1 3.99Å; L207-Y241 HydrophobicContact CD1-CD2 3.76Å; L207-Y241 HydrophobicContact CD1-CE1 4.29Å; L207-Y241 HydrophobicContact CD1-CE2 4.08Å; L207-Y241 HydrophobicContact CD1-CG 3.72Å; L207-V249 HydrophobicContact CD2-CB 3.73Å; L207-V249 HydrophobicContact CD2-CG1 3.68Å; L207-V249 HydrophobicContact CD2-CG2 3.76Å
208P95.9Very high96Very high9 Ų918.1 Ų18.16%0.05810%0.096CC..Hα-helixtrans-56.3-31.4179-23.630.8000114.3L46 F69 L72 W73 A101 L206 F210 K211L46-P208 HydrophobicContact CD1-CB 4Å; L46-P208 HydrophobicContact CD1-CG 4.14Å; L46-P208 HydrophobicContact CD2-CG 3.94Å; F69-P208 HydrophobicContact CB-CG 4.45Å; F69-P208 HydrophobicContact CD2-CG 4.22Å; F69-P208 HydrophobicContact CG-CG 4.36Å; L72-P208 HydrophobicContact CD1-CB 3.79Å; L72-P208 HydrophobicContact CD1-CG 3.87Å; W73-P208 HydrophobicContact CH2-CG 4.11Å; W73-P208 HydrophobicContact CZ3-CG 3.76Å; A101-P208 HydrophobicContact CB-CB 4.48Å; A101-P208 HydrophobicContact CB-CG 4.43Å; L206-P208 VanDerWaalsContact C-N 3.28Å; L206-P208 WeakPolarHBondContact O-CD 3.02Å; P208-F210 VanDerWaalsContact C-N 3.27Å; P208-F210 PolarHBondContact O-N 2.73Å; P208-K211 VanDerWaalsContact O-CB 3.3Å; P208-K211 WeakPolarHBondContact O-CB 3.37Å; P208-K211 PolarHBondContact O-N 3.42Å
209V97.3Very high95.7Very high1 Ų122.3 Ų22.31%0.00613%0.126CC..Hα-helixtrans-69.3-28.7-178.6-43.70000111.7L46 L161 L162 P165 L206 L207 K211 E212L46-V209 HydrophobicContact CD1-CG1 3.74Å; L161-V209 HydrophobicContact CB-CG1 4.11Å; L162-V209 HydrophobicContact CD2-CB 4.13Å; P165-V209 HydrophobicContact CG-CB 4.46Å; P165-V209 HydrophobicContact CG-CG2 3.96Å; L206-V209 HydrophobicContact CB-CG1 4.45Å; L206-V209 HydrophobicContact CB-CG2 4.23Å; L206-V209 VanDerWaalsContact O-CG2 3.26Å; L206-V209 WeakPolarHBondContact O-CG2 3.39Å; L206-V209 PolarHBondContact O-N 3.12Å; L207-V209 PolarHBondContact O-N 3.46Å; L207-V209 VanDerWaalsContact O-N 3.13Å; V209-K211 PolarHBondContact O-N 2.96Å; V209-E212 WeakPolarHBondContact O-CB 3.32Å; V209-E212 PolarHBondContact O-N 3.48Å
210F98Very high95.5Very high0 Ų024.8 Ų24.80%013%0.127CC..Hα-helixtrans-68.9-15.6179.1-75.2-92.3000112.8W164 P165 E203 L207 P208 E212 L213 F227 L243 L247 F275W164-F210 HydrophobicContact CB-CE2 4.25Å; W164-F210 HydrophobicContact CB-CZ 3.82Å; P165-F210 HydrophobicContact CB-CD1 4.28Å; E203-F210 HydrophobicContact CB-CE2 4.36Å; E203-F210 HydrophobicContact CB-CZ 4.45Å; L207-F210 WeakPolarHBondContact O-CB 3.31Å; L207-F210 PolarHBondContact O-N 2.92Å; P208-F210 VanDerWaalsContact C-N 3.27Å; P208-F210 PolarHBondContact O-N 2.73Å; F210-E212 PolarHBondContact O-N 3.07Å; F210-L213 HydrophobicContact CD1-CD1 3.97Å; F210-L213 VanDerWaalsContact O-CB 3.32Å; F210-L213 WeakPolarHBondContact O-CB 3.37Å; F210-L213 VanDerWaalsContact O-CG 3.27Å; F210-L213 WeakPolarHBondContact O-CG 3.27Å; F210-L213 PolarHBondContact O-N 3.41Å; F210-L213 VanDerWaalsContact O-N 3.12Å; F210-F227 HydrophobicContact CD1-CZ 4.24Å; F210-F227 HydrophobicContact CD2-CZ 4.05Å; F210-F227 HydrophobicContact CE1-CE1 4.31Å; F210-F227 AromaticContact CE1-CZ 3.89Å; F210-F227 HydrophobicContact CE1-CZ 3.89Å; F210-F227 HydrophobicContact CE2-CE2 4.26Å; F210-F227 AromaticContact CE2-CZ 3.68Å; F210-F227 HydrophobicContact CE2-CZ 3.68Å; F210-F227 HydrophobicContact CG-CZ 4.32Å; F210-F227 HydrophobicContact CZ-CE1 4.35Å; F210-F227 AromaticContact CZ-CZ 3.6Å; F210-F227 HydrophobicContact CZ-CZ 3.6Å; F210-L243 HydrophobicContact CB-CD1 4.02Å; F210-L247 WeakPolarHBondContact O-CD2 3.35Å; F210-F275 HydrophobicContact CZ-CE2 4.39Å
211K95.8Very high95.5Very high44 Ų4424.8 Ų24.819%0.19113%0.127CC..THydrogen-bonded Turntrans-58.5-26.6172.5-172.9166.6-176.3156.10112.7Y94 P208 V209 L213 D214 L243Y94-K211 VanDerWaalsContact OH-CE 3.32Å; Y94-K211 WeakPolarHBondContact OH-CE 3.48Å; Y94-K211 PolarHBondContact OH-NZ 2.83Å; P208-K211 VanDerWaalsContact O-CB 3.3Å; P208-K211 WeakPolarHBondContact O-CB 3.37Å; P208-K211 PolarHBondContact O-N 3.42Å; V209-K211 PolarHBondContact O-N 2.96Å; K211-L213 PolarHBondContact O-N 2.84Å; K211-L213 VanDerWaalsContact O-N 3.12Å; K211-D214 WeakPolarHBondContact O-CB 3.43Å; K211-D214 PolarHBondContact O-N 2.88Å; K211-L243 WeakPolarHBondContact CE-O 3.32Å; K211-L243 PolarHBondContact NZ-O 3.28Å
212E96.7Very high95.6Very high4 Ų425.2 Ų25.22%0.01912%0.124CC..THydrogen-bonded Turntrans-58.4-26.5177.3-169.758.6-157.600112.8M111 Y140 W143 R144 L162 V209 F210 D214 H215 L216M111-E212 HydrophobicContact CE-CB 4.39Å; M111-E212 HydrophobicContact CE-CG 4.4Å; M111-E212 WeakPolarHBondContact CE-OE2 3.42Å; Y140-E212 HydrophobicContact CE2-CG 4.15Å; Y140-E212 PolarHBondContact OH-OE1 2.65Å; W143-E212 WeakPolarHBondContact CZ3-OE1 3.39Å; R144-E212 VanDerWaalsContact CD-OE1 3.27Å; R144-E212 WeakPolarHBondContact CD-OE1 3.18Å; R144-E212 IonicContact CZ-OE2 3.82Å; R144-E212 IonicContact NE-OE1 3.03Å; R144-E212 PolarHBondContact NE-OE1 2.8Å; R144-E212 IonicContact NE-OE2 3.22Å; R144-E212 PolarHBondContact NE-OE2 3.19Å; R144-E212 IonicContact NH2-OE2 2.78Å; R144-E212 PolarHBondContact NH2-OE2 3.29Å; L162-E212 HydrophobicContact CD2-CB 4.2Å; L162-E212 HydrophobicContact CD2-CG 4.37Å; V209-E212 WeakPolarHBondContact O-CB 3.32Å; V209-E212 PolarHBondContact O-N 3.48Å; F210-E212 PolarHBondContact O-N 3.07Å; E212-D214 PolarHBondContact O-N 3.48Å; E212-D214 VanDerWaalsContact O-N 3.13Å; E212-H215 PolarHBondContact O-N 2.89Å; E212-H215 VanDerWaalsContact O-N 3.12Å; E212-H215 IonicContact OE2-CD2 2.74Å; E212-L216 HydrophobicContact CG-CD1 4.2Å; E212-L216 WeakPolarHBondContact O-CG 3.09Å; E212-L216 PolarHBondContact O-N 3.39Å
213L97.5Very high95.8Very high0 Ų022.3 Ų22.30%011%0.112CC..Hα-helixtrans-58.7-25.2174.1-60.5176.6000112.9P165 L168 F210 K211 H215 L216 F217 I225 L247P165-L213 HydrophobicContact CB-CD2 3.91Å; P165-L213 HydrophobicContact CB-CG 4.05Å; P165-L213 WeakPolarHBondContact O-CD2 3.27Å; L168-L213 HydrophobicContact CD1-CD1 4.19Å; L168-L213 HydrophobicContact CD2-CD1 4.05Å; L168-L213 HydrophobicContact CD2-CD2 3.86Å; F210-L213 HydrophobicContact CD1-CD1 3.97Å; F210-L213 VanDerWaalsContact O-CB 3.32Å; F210-L213 WeakPolarHBondContact O-CB 3.37Å; F210-L213 VanDerWaalsContact O-CG 3.27Å; F210-L213 WeakPolarHBondContact O-CG 3.27Å; F210-L213 PolarHBondContact O-N 3.41Å; F210-L213 VanDerWaalsContact O-N 3.12Å; K211-L213 PolarHBondContact O-N 2.84Å; K211-L213 VanDerWaalsContact O-N 3.12Å; L213-H215 PolarHBondContact O-N 3Å; L213-L216 HydrophobicContact CD2-CD1 4.24Å; L213-L216 PolarHBondContact O-N 3.2Å; L213-F217 HydrophobicContact CB-CD2 4.27Å; L213-F217 HydrophobicContact CB-CE2 4.41Å; L213-F217 HydrophobicContact CD2-CD2 4.43Å; L213-F217 HydrophobicContact CD2-CE2 3.82Å; L213-F217 VanDerWaalsContact O-CD2 3.29Å; L213-F217 WeakPolarHBondContact O-CD2 3.05Å; L213-F217 PolarHBondContact O-N 2.96Å; L213-I225 HydrophobicContact CD1-CD1 3.56Å; L213-L247 HydrophobicContact CB-CD2 4.2Å
214D94.1Very high95.9Very high40 Ų4022.1 Ų22.121%0.21411%0.111CC..Hα-helixtrans-62-33178.6-16060.1000112K211 E212 S244 R246 L247K211-D214 WeakPolarHBondContact O-CB 3.43Å; K211-D214 PolarHBondContact O-N 2.88Å; E212-D214 PolarHBondContact O-N 3.48Å; E212-D214 VanDerWaalsContact O-N 3.13Å; D214-S244 PolarHBondContact OD1-OG 3.06Å; D214-R246 PolarHBondContact O-NH2 3.41Å; D214-R246 WeakPolarHBondContact OD1-CD 3.32Å; D214-R246 WeakPolarHBondContact OD1-CG 3.42Å; D214-R246 IonicContact OD1-CZ 3.49Å; D214-R246 IonicContact OD1-NE 3.26Å; D214-R246 PolarHBondContact OD1-NE 3.18Å; D214-L247 HydrophobicContact CB-CD2 4.47Å
215H94.5Very high95.9Very high45 Ų4522.1 Ų22.121%0.20811%0.111CC..Hα-helixtrans-86.1-29.6178.4-60.5-51.9000113.2P115 W143 E212 L213P115-H215 HydrophobicContact CG-CB 3.83Å; W143-H215 HydrophobicContact CH2-CB 3.77Å; W143-H215 HydrophobicContact CZ2-CB 4.22Å; E212-H215 PolarHBondContact O-N 2.89Å; E212-H215 VanDerWaalsContact O-N 3.12Å; E212-H215 IonicContact OE2-CD2 2.74Å; L213-H215 PolarHBondContact O-N 3Å
216L95.8Very high96Very high0 Ų023.8 Ų23.80%012%0.117CC..Hα-helixtrans-76.8-29.2-174.8-65.3167.8000113V130 N131 I132 L134 W143 L166 Y169 E212 L213V130-L216 WeakPolarHBondContact CA-O 3.39Å; V130-L216 WeakPolarHBondContact CB-O 3.48Å; N131-L216 PolarHBondContact N-O 3.44Å; I132-L216 HydrophobicContact CG2-CD2 3.9Å; L134-L216 HydrophobicContact CD1-CD2 3.53Å; W143-L216 HydrophobicContact CH2-CD2 3.57Å; W143-L216 HydrophobicContact CH2-CG 4.16Å; W143-L216 HydrophobicContact CZ2-CD2 4.44Å; W143-L216 HydrophobicContact CZ3-CD2 3.64Å; W143-L216 HydrophobicContact CZ3-CG 4.45Å; L166-L216 HydrophobicContact CD2-CD1 3.53Å; L166-L216 HydrophobicContact CD2-CD2 4.41Å; Y169-L216 HydrophobicContact CD2-CB 3.68Å; Y169-L216 HydrophobicContact CD2-CD1 4.21Å; Y169-L216 HydrophobicContact CD2-CD2 4.21Å; Y169-L216 HydrophobicContact CD2-CG 4.25Å; Y169-L216 HydrophobicContact CE2-CB 4.16Å; Y169-L216 HydrophobicContact CE2-CD2 4.29Å; Y169-L216 HydrophobicContact CG-CB 4.39Å; Y169-L216 HydrophobicContact CG-CD1 4.08Å; Y169-L216 HydrophobicContact CG-CD2 4.48Å; E212-L216 HydrophobicContact CG-CD1 4.2Å; E212-L216 WeakPolarHBondContact O-CG 3.09Å; E212-L216 PolarHBondContact O-N 3.39Å; L213-L216 HydrophobicContact CD2-CD1 4.24Å; L213-L216 PolarHBondContact O-N 3.2Å
217F95.6Very high96.1Very high0 Ų023.8 Ų23.80%012%0.117CC..BIsolated β-bridgetrans-101.3152.3-173.7-77.2-102.3000113.2V130 N131 L168 Y169 V172 L193 L213 S219 I223 R246V130-F217 HydrophobicContact CG1-CD1 4.2Å; V130-F217 HydrophobicContact CG1-CE1 4.15Å; V130-F217 HydrophobicContact CG1-CG 4.46Å; V130-F217 HydrophobicContact CG1-CZ 4.35Å; N131-F217 PolarHBondContact ND2-O 3.17Å; L168-F217 HydrophobicContact CD2-CE2 4.28Å; L168-F217 HydrophobicContact CD2-CZ 3.98Å; Y169-F217 HydrophobicContact CD2-CE2 4.28Å; V172-F217 HydrophobicContact CB-CE1 3.96Å; V172-F217 HydrophobicContact CB-CZ 3.85Å; V172-F217 HydrophobicContact CG1-CE1 3.58Å; V172-F217 HydrophobicContact CG1-CZ 4.03Å; V172-F217 HydrophobicContact CG2-CE1 4.26Å; V172-F217 HydrophobicContact CG2-CZ 4.01Å; L193-F217 HydrophobicContact CD2-CD1 3.91Å; L193-F217 HydrophobicContact CD2-CE1 3.48Å; L193-F217 VanDerWaalsContact CD2-CE1 3.48Å; L193-F217 HydrophobicContact CD2-CZ 4.39Å; L213-F217 HydrophobicContact CB-CD2 4.27Å; L213-F217 HydrophobicContact CB-CE2 4.41Å; L213-F217 HydrophobicContact CD2-CD2 4.43Å; L213-F217 HydrophobicContact CD2-CE2 3.82Å; L213-F217 VanDerWaalsContact O-CD2 3.29Å; L213-F217 WeakPolarHBondContact O-CD2 3.05Å; L213-F217 PolarHBondContact O-N 2.96Å; F217-S219 PolarHBondContact O-N 3.47Å; F217-I223 HydrophobicContact CB-CD1 3.57Å; F217-I223 HydrophobicContact CD1-CD1 4.23Å; F217-I223 HydrophobicContact CD2-CD1 4.07Å; F217-I223 HydrophobicContact CG-CD1 3.69Å; F217-R246 PolarHBondContact O-NH2 3.19Å
218K94.7Very high96.2Very high21 Ų2123.9 Ų23.99%0.09112%0.117CC..  trans-52.8125.7178-77.9-171.6176.1175.90113E126 S128 L129 V130 N131 L188 Q220 L221 R246E126-K218 IonicContact OE1-NZ 3.15Å; E126-K218 PolarHBondContact OE1-NZ 3.46Å; E126-K218 IonicContact OE2-NZ 2.7Å; E126-K218 PolarHBondContact OE2-NZ 2.85Å; S128-K218 VanDerWaalsContact O-CD 3.22Å; S128-K218 WeakPolarHBondContact O-CD 3.33Å; S128-K218 WeakPolarHBondContact O-CE 3.38Å; S128-K218 PolarHBondContact O-NZ 2.67Å; L129-K218 PolarHBondContact O-N 3.44Å; V130-K218 WeakPolarHBondContact O-CE 3.48Å; N131-K218 VanDerWaalsContact OD1-CA 3.31Å; N131-K218 WeakPolarHBondContact OD1-CA 3.24Å; N131-K218 WeakPolarHBondContact OD1-CG 3.48Å; L188-K218 HydrophobicContact CD2-CD 4.19Å; K218-Q220 PolarHBondContact O-N 3.12Å; K218-L221 HydrophobicContact CB-CD1 4.05Å; K218-L221 HydrophobicContact CB-CG 4.11Å; K218-L221 WeakPolarHBondContact O-CB 3.39Å; K218-L221 PolarHBondContact O-N 3.16Å; K218-R246 PolarHBondContact O-NH1 3.04Å
219S92.2Very high96.2Very high90 Ų9023.6 Ų23.663%0.62912%0.116SC*.THydrogen-bonded Turntrans-59-25.8-166.2570000114.6F217 L221 R246F217-S219 PolarHBondContact O-N 3.47Å; S219-L221 VanDerWaalsContact C-N 3.32Å; S219-L221 PolarHBondContact O-N 3.01Å; S219-R246 VanDerWaalsContact C-NH1 3.35Å; S219-R246 PolarHBondContact O-NH1 3.49Å
220Q93.1Very high96Very high90 Ų9030.1 Ų30.142%0.42114%0.141SC..THydrogen-bonded Turntrans-76.5-12.2175.969.2-86.322.900114.8K218K218-Q220 PolarHBondContact O-N 3.12Å
221L96Very high95.7Very high1 Ų135.8 Ų35.81%0.00517%0.167CC..  trans-81.7135.1-179-65.8179.9000111.2L129 I187 L188 K218 S219 R246L129-L221 HydrophobicContact CB-CD1 4.05Å; L129-L221 HydrophobicContact CD2-CD1 4.01Å; L129-L221 VanDerWaalsContact O-CD1 3.32Å; L129-L221 WeakPolarHBondContact O-CD1 3.31Å; I187-L221 HydrophobicContact CG2-CD2 4.46Å; L188-L221 HydrophobicContact CD2-CD2 4.25Å; K218-L221 HydrophobicContact CB-CD1 4.05Å; K218-L221 HydrophobicContact CB-CG 4.11Å; K218-L221 WeakPolarHBondContact O-CB 3.39Å; K218-L221 PolarHBondContact O-N 3.16Å; S219-L221 VanDerWaalsContact C-N 3.32Å; S219-L221 PolarHBondContact O-N 3.01Å; L221-R246 WeakPolarHBondContact O-CD 3.44Å; L221-R246 PolarHBondContact O-NH1 3.22Å
222R96.3Very high95.6Very high106 Ų10634.4 Ų34.440%0.416%0.161SC..EExtended strand (participates in β ladder)trans-89.7125.6163-173.6179.3173.8172.4-1.7109.1R191 K192 L193 R246R191-R222 PolarHBondContact O-N 3.21Å; K192-R222 CarbonylContact C-O 3.48Å; K192-R222 VanDerWaalsContact CA-O 3.32Å; K192-R222 WeakPolarHBondContact CA-O 3.49Å; L193-R222 PolarHBondContact N-O 3.1Å; R222-R246 CarbonylContact C-O 3.49Å; R222-R246 WeakPolarHBondContact CA-O 3.29Å; R222-R246 WeakPolarHBondContact CG-O 3.33Å
223I97.2Very high95.5Very high0 Ų036.6 Ų36.60%017%0.173CC..EExtended strand (participates in β ladder)trans-107.1115.1-177.4-51.5169.6000108.2F217 I225 R246 L247 S248F217-I223 HydrophobicContact CB-CD1 3.57Å; F217-I223 HydrophobicContact CD1-CD1 4.23Å; F217-I223 HydrophobicContact CD2-CD1 4.07Å; F217-I223 HydrophobicContact CG-CD1 3.69Å; I223-I225 HydrophobicContact CG2-CD1 4.32Å; I223-I225 HydrophobicContact CG2-CG1 4Å; I223-R246 PolarHBondContact N-O 3.12Å; I223-L247 HydrophobicContact CB-CD1 3.69Å; I223-L247 HydrophobicContact CD1-CD1 4.46Å; I223-L247 HydrophobicContact CG2-CD1 3.63Å; I223-L247 WeakPolarHBondContact O-CA 3.46Å; I223-S248 PolarHBondContact O-N 3.17Å
224C96.7Very high95.3Very high6 Ų640.9 Ų40.94%0.04121%0.208CC..EExtended strand (participates in β ladder)trans-114.5108.7179.3-57.10000108.3L193 I194 I195L193-C224 PolarHBondContact O-N 2.97Å; I194-C224 WeakPolarHBondContact CA-O 3.43Å; I194-C224 HydrophobicContact CG1-CB 4.42Å; I195-C224 PolarHBondContact N-O 2.82Å
225I98.1Very high95.4Very high0 Ų042.8 Ų42.80%023%0.229CC..EExtended strand (participates in β ladder)trans-103135.7178.5-51.4-179.7000108.1L168 I195 V197 L213 I223 F227 L247 S248 V249 S250L168-I225 HydrophobicContact CD1-CD1 4.21Å; I195-I225 CarbonylContact O-C 3.52Å; I195-I225 VanDerWaalsContact O-CA 3.3Å; I195-I225 WeakPolarHBondContact O-CA 3.44Å; V197-I225 HydrophobicContact CG2-CG2 3.75Å; L213-I225 HydrophobicContact CD1-CD1 3.56Å; I223-I225 HydrophobicContact CG2-CD1 4.32Å; I223-I225 HydrophobicContact CG2-CG1 4Å; I225-F227 HydrophobicContact CG2-CD1 3.72Å; I225-F227 HydrophobicContact CG2-CE1 3.58Å; I225-L247 HydrophobicContact CD1-CD1 4.02Å; I225-L247 HydrophobicContact CG1-CD1 4.38Å; I225-S248 PolarHBondContact N-O 2.81Å; I225-V249 HydrophobicContact CB-CG1 4.46Å; I225-V249 HydrophobicContact CB-CG2 4.24Å; I225-V249 HydrophobicContact CD1-CG2 4.5Å; I225-V249 CarbonylContact O-C 3.53Å; I225-V249 VanDerWaalsContact O-CA 3.28Å; I225-V249 WeakPolarHBondContact O-CA 3.32Å; I225-S250 PolarHBondContact O-N 3.48Å
226Y97.4Very high95.4Very high43 Ų4340.8 Ų40.817%0.16922%0.22CC..EExtended strand (participates in β ladder)trans-108.6124.3168.4-70-101.5000108.5I194 I195 H196 V197 S250 F259I194-Y226 HydrophobicContact CG2-CD2 4.2Å; I194-Y226 HydrophobicContact CG2-CE2 3.99Å; I195-Y226 PolarHBondContact O-N 3.24Å; H196-Y226 AromaticContact CD2-CD2 3.53Å; H196-Y226 AromaticContact CD2-CG 3.81Å; H196-Y226 AromaticContact NE2-CD2 3.68Å; V197-Y226 PolarHBondContact N-O 3.18Å; Y226-S250 CarbonylContact C-O 3.5Å; Y226-S250 VanDerWaalsContact CA-O 3.29Å; Y226-S250 WeakPolarHBondContact CA-O 3.42Å; Y226-F259 HydrophobicContact CD1-CE2 4.23Å; Y226-F259 AromaticContact CD1-CZ 3.75Å; Y226-F259 HydrophobicContact CD1-CZ 3.75Å; Y226-F259 HydrophobicContact CE1-CZ 4.21Å; Y226-F259 HydrophobicContact CG-CZ 4.23Å
227F98.4Very high95.4Very high0 Ų043.3 Ų43.30%023%0.234CC..EExtended strand (participates in β ladder)trans-95.8114.2169.8-80.89.7000108.5V197 V200 L204 L207 F210 I225 V249 S250 V251 W252V197-F227 HydrophobicContact CB-CD1 3.83Å; V197-F227 HydrophobicContact CB-CE1 3.98Å; V197-F227 HydrophobicContact CG1-CE1 4.43Å; V197-F227 HydrophobicContact CG2-CD1 4.13Å; V197-F227 HydrophobicContact CG2-CE1 3.9Å; V200-F227 HydrophobicContact CB-CB 4.36Å; V200-F227 HydrophobicContact CB-CG 4.48Å; V200-F227 HydrophobicContact CG1-CB 4.22Å; V200-F227 HydrophobicContact CG1-CD2 3.77Å; V200-F227 HydrophobicContact CG1-CE2 4.31Å; V200-F227 HydrophobicContact CG1-CG 4.07Å; V200-F227 HydrophobicContact CG2-CB 4.07Å; V200-F227 HydrophobicContact CG2-CD1 4.06Å; V200-F227 HydrophobicContact CG2-CD2 4.4Å; V200-F227 HydrophobicContact CG2-CG 3.94Å; L204-F227 HydrophobicContact CB-CD2 4.32Å; L204-F227 HydrophobicContact CD1-CD2 4.08Å; L207-F227 HydrophobicContact CD2-CD2 4.28Å; L207-F227 HydrophobicContact CD2-CE2 3.8Å; L207-F227 HydrophobicContact CD2-CZ 4.42Å; F210-F227 HydrophobicContact CD1-CZ 4.24Å; F210-F227 HydrophobicContact CD2-CZ 4.05Å; F210-F227 HydrophobicContact CE1-CE1 4.31Å; F210-F227 AromaticContact CE1-CZ 3.89Å; F210-F227 HydrophobicContact CE1-CZ 3.89Å; F210-F227 HydrophobicContact CE2-CE2 4.26Å; F210-F227 AromaticContact CE2-CZ 3.68Å; F210-F227 HydrophobicContact CE2-CZ 3.68Å; F210-F227 HydrophobicContact CG-CZ 4.32Å; F210-F227 HydrophobicContact CZ-CE1 4.35Å; F210-F227 AromaticContact CZ-CZ 3.6Å; F210-F227 HydrophobicContact CZ-CZ 3.6Å; I225-F227 HydrophobicContact CG2-CD1 3.72Å; I225-F227 HydrophobicContact CG2-CE1 3.58Å; F227-V249 HydrophobicContact CB-CG1 4.22Å; F227-V249 HydrophobicContact CD1-CG1 3.73Å; F227-V249 HydrophobicContact CD2-CG1 3.78Å; F227-V249 HydrophobicContact CE1-CG1 4.01Å; F227-V249 HydrophobicContact CE2-CG1 4.05Å; F227-V249 HydrophobicContact CG-CG1 3.62Å; F227-V249 HydrophobicContact CZ-CG1 4.16Å; F227-S250 PolarHBondContact N-O 2.93Å; F227-V251 HydrophobicContact CB-CG2 4.46Å; F227-W252 PolarHBondContact O-N 3.15Å
228I98Very high95.3Very high1 Ų148 Ų481%0.00525%0.251CS..EExtended strand (participates in β ladder)trans-114121.4179.6-61.799.3000109.1H196 V197 I198 G199 V200 W252 Y256 F259H196-I228 HydrophobicContact CB-CD1 4.05Å; V197-I228 PolarHBondContact O-N 2.74Å; I198-I228 CarbonylContact C-O 3.17Å; I198-I228 HydrophobicContact CG2-CB 4.4Å; I198-I228 HydrophobicContact CG2-CD1 4.27Å; G199-I228 PolarHBondContact N-O 2.59Å; V200-I228 PolarHBondContact N-O 2.94Å; I228-W252 WeakPolarHBondContact CA-O 3.05Å; I228-W252 HydrophobicContact CG2-CE3 3.9Å; I228-W252 HydrophobicContact CG2-CZ3 4.21Å; I228-Y256 HydrophobicContact CD1-CD2 4.21Å; I228-Y256 HydrophobicContact CD1-CE2 4.31Å; I228-Y256 HydrophobicContact CG1-CD2 4.34Å; I228-Y256 HydrophobicContact CG2-CD2 4.39Å; I228-F259 HydrophobicContact CD1-CD1 4.33Å; I228-F259 HydrophobicContact CD1-CE1 4.19Å; I228-F259 HydrophobicContact CG1-CD1 4.15Å; I228-F259 HydrophobicContact CG1-CD2 4.38Å; I228-F259 HydrophobicContact CG1-CE1 4.37Å; I228-F259 HydrophobicContact CG1-CG 4.12Å; I228-F259 HydrophobicContact CG2-CB 4.49Å
229G96.8Very high95.4Very high4 Ų448.6 Ų48.64%0.04126%0.255CS..EExtended strand (participates in β ladder)trans-169.5167.9-177.900000112.8F232 W252 S253 G254G229-F232 VanDerWaalsContact N-CZ 3.34Å; G229-W252 PolarHBondContact N-O 2.57Å; G229-S253 CarbonylContact O-C 3.56Å; G229-S253 WeakPolarHBondContact O-CA 3.43Å; G229-S253 PolarHBondContact O-OG 3.02Å; G229-G254 CarbonylContact C-O 3.57Å; G229-G254 PolarHBondContact O-N 3.27Å
230R93.7Very high95.5Very high138 Ų13844.8 Ų44.852%0.52123%0.228SC..SBendtrans-100.8-23-166-61.9-177.772.2-178.10.4115.3L255R230-L255 HydrophobicContact CG-CD2 4.28Å; R230-L255 HydrophobicContact CG-CG 4.42Å
231H91.8Very high95.7Very high118 Ų11841.1 Ų41.155%0.54621%0.211SC..SBendtrans-115.830.4-163.9-60.6-58.9000112.4P62P62-H231 VanDerWaalsContact CD-O 3.27Å; P62-H231 WeakPolarHBondContact CD-O 3.32Å
232F93.8Very high95.6Very high16 Ų1642 Ų427%0.0722%0.215CC..  trans-73.8158.6177.8-54.7-29.5000112P62 V200 L204 G229 A234 V251P62-F232 HydrophobicContact CB-CD1 4.32Å; P62-F232 WeakPolarHBondContact O-CA 3.2Å; V200-F232 HydrophobicContact CB-CE1 4.06Å; V200-F232 HydrophobicContact CB-CZ 3.81Å; V200-F232 HydrophobicContact CG1-CE1 3.77Å; V200-F232 HydrophobicContact CG1-CZ 3.85Å; V200-F232 WeakPolarHBondContact O-CE1 3.5Å; L204-F232 HydrophobicContact CB-CD1 4.41Å; L204-F232 HydrophobicContact CB-CE1 4.27Å; L204-F232 HydrophobicContact CD2-CB 3.86Å; L204-F232 HydrophobicContact CD2-CD1 3.46Å; L204-F232 VanDerWaalsContact CD2-CD1 3.46Å; L204-F232 HydrophobicContact CD2-CD2 4.09Å; L204-F232 HydrophobicContact CD2-CE1 3.95Å; L204-F232 HydrophobicContact CD2-CG 3.54Å; L204-F232 HydrophobicContact CD2-CZ 4.44Å; G229-F232 VanDerWaalsContact N-CZ 3.34Å; F232-A234 PolarHBondContact O-N 3.27Å; F232-V251 HydrophobicContact CD2-CG1 3.43Å; F232-V251 VanDerWaalsContact CD2-CG1 3.43Å; F232-V251 HydrophobicContact CE2-CG1 3.62Å; F232-V251 HydrophobicContact CG-CG1 4.3Å
233D94.2Very high95.6Very high50 Ų5037.2 Ų37.227%0.26720%0.197SC..  trans-61.1132.3162.7-175-85.4000110.2P62 A235 T236P62-D233 PolarHBondContact O-N 3.23Å; D233-A235 PolarHBondContact O-N 3.28Å; D233-A235 VanDerWaalsContact O-N 3.13Å; D233-A235 WeakPolarHBondContact OD1-CB 3.29Å; D233-A235 PolarHBondContact OD1-N 2.84Å; D233-T236 HydrophobicContact CB-CG2 4.13Å; D233-T236 WeakPolarHBondContact O-CB 3.4Å; D233-T236 PolarHBondContact O-N 3.2Å; D233-T236 PolarHBondContact O-OG1 3.41Å
234A93.9Very high95.3Very high90 Ų9037.8 Ų37.874%0.74420%0.201SC*.G310 helixtrans-61.4-25.2-173.500000113.3F232 T236F232-A234 PolarHBondContact O-N 3.27Å; A234-T236 PolarHBondContact O-N 3.49Å
235A94.4Very high95.1Very high79 Ų7942.3 Ų42.365%0.65323%0.233SC*.G310 helixtrans-72.4-12176.800000113.2D233 I239D233-A235 PolarHBondContact O-N 3.28Å; D233-A235 VanDerWaalsContact O-N 3.13Å; D233-A235 WeakPolarHBondContact OD1-CB 3.29Å; D233-A235 PolarHBondContact OD1-N 2.84Å; A235-I239 WeakPolarHBondContact O-CG1 3.42Å
236T95.3Very high94.9Very high4 Ų443.7 Ų43.73%0.02524%0.238CC..G310 helixtrans-96.1-16.8-179.670.60000113.2L66 D233 A234 R238 I239 Y241 V251L66-T236 HydrophobicContact CD1-CG2 4.1Å; D233-T236 HydrophobicContact CB-CG2 4.13Å; D233-T236 WeakPolarHBondContact O-CB 3.4Å; D233-T236 PolarHBondContact O-N 3.2Å; D233-T236 PolarHBondContact O-OG1 3.41Å; A234-T236 PolarHBondContact O-N 3.49Å; T236-R238 PolarHBondContact O-N 3.31Å; T236-I239 WeakPolarHBondContact O-CB 3.49Å; T236-I239 WeakPolarHBondContact O-CG1 3.34Å; T236-I239 PolarHBondContact O-N 2.97Å; T236-Y241 WeakPolarHBondContact CG2-OH 3.39Å; T236-V251 VanDerWaalsContact O-CB 3.32Å; T236-V251 WeakPolarHBondContact O-CB 3.37Å; T236-V251 WeakPolarHBondContact O-CG1 3.41Å
237D95.5Very high94.9Very high52 Ų5241.7 Ų41.728%0.27823%0.23SC..THydrogen-bonded Turntrans-61.6134.9179.4-175.240000111.1I239 S253D237-I239 PolarHBondContact O-N 3.11Å; D237-S253 WeakPolarHBondContact OD1-CB 3.2Å; D237-S253 PolarHBondContact OD1-N 2.97Å
238R94.7Very high94.8Very high99 Ų9942 Ų4237%0.37423%0.232SC..THydrogen-bonded Turntrans61.715.9-178-58169.4177.1-90.8-8.3115.2T77 I78 D79 T236 V251T77-R238 CarbonylContact C-O 3.59Å; T77-R238 VanDerWaalsContact CA-O 3.31Å; T77-R238 WeakPolarHBondContact CA-O 3.31Å; I78-R238 PolarHBondContact N-O 2.99Å; D79-R238 IonicContact OD2-NH1 3.84Å; T236-R238 PolarHBondContact O-N 3.31Å; R238-V251 WeakPolarHBondContact CA-O 3.43Å; R238-V251 PolarHBondContact N-O 3.19Å
239I95.6Very high94.7Very high34 Ų3441.9 Ų41.917%0.17423%0.232CC..EExtended strand (participates in β ladder)trans-88.4141.3173.3-56.5-55.5000110.3T75 T77 A235 T236 D237 Y241 V251T75-I239 HydrophobicContact CG2-CG2 3.99Å; T77-I239 HydrophobicContact CG2-CD1 4.27Å; A235-I239 WeakPolarHBondContact O-CG1 3.42Å; T236-I239 WeakPolarHBondContact O-CB 3.49Å; T236-I239 WeakPolarHBondContact O-CG1 3.34Å; T236-I239 PolarHBondContact O-N 2.97Å; D237-I239 PolarHBondContact O-N 3.11Å; I239-Y241 HydrophobicContact CB-CE2 3.87Å; I239-Y241 HydrophobicContact CG2-CD1 4.5Å; I239-Y241 HydrophobicContact CG2-CD2 4.05Å; I239-Y241 HydrophobicContact CG2-CE1 4.12Å; I239-Y241 HydrophobicContact CG2-CE2 3.62Å; I239-Y241 HydrophobicContact CG2-CG 4.47Å; I239-V251 PolarHBondContact O-N 3.31Å
240V95.6Very high94.7Very high10 Ų1042 Ų426%0.06123%0.232CC..EExtended strand (participates in β ladder)trans-109.7117.9171.1-175.40000108.4T75 T76 I78 V249T75-V240 CarbonylContact C-O 3.55Å; T75-V240 VanDerWaalsContact CA-O 3.26Å; T75-V240 WeakPolarHBondContact CA-O 3.38Å; T76-V240 PolarHBondContact N-O 3.01Å; T76-V240 PolarHBondContact O-N 3.24Å; I78-V240 HydrophobicContact CB-CG2 4.39Å; I78-V240 HydrophobicContact CG1-CG2 3.68Å; V240-V249 CarbonylContact C-O 3.51Å; V240-V249 WeakPolarHBondContact CA-O 3.39Å
241Y95.7Very high94.9Very high13 Ų1335.5 Ų35.55%0.05121%0.207CC..EExtended strand (participates in β ladder)trans-95.5114.3176.2-61.8-91.7000109.6L66 W73 T75 L207 T236 I239 L243 S248 V249 V251L66-Y241 HydrophobicContact CD1-CE1 4.03Å; L66-Y241 HydrophobicContact CD1-CE2 4.37Å; W73-Y241 AromaticContact CD1-CD1 3.76Å; W73-Y241 HydrophobicContact CD2-CD1 4.23Å; W73-Y241 AromaticContact CE2-CD1 3.81Å; W73-Y241 HydrophobicContact CG-CD1 4.19Å; W73-Y241 HydrophobicContact CZ2-CD1 4.39Å; W73-Y241 AromaticContact NE1-CD1 3.49Å; W73-Y241 AromaticContact NE1-CE1 3.85Å; T75-Y241 HydrophobicContact CG2-CD1 3.75Å; T75-Y241 HydrophobicContact CG2-CE1 3.9Å; L207-Y241 HydrophobicContact CD1-CD1 3.99Å; L207-Y241 HydrophobicContact CD1-CD2 3.76Å; L207-Y241 HydrophobicContact CD1-CE1 4.29Å; L207-Y241 HydrophobicContact CD1-CE2 4.08Å; L207-Y241 HydrophobicContact CD1-CG 3.72Å; T236-Y241 WeakPolarHBondContact CG2-OH 3.39Å; I239-Y241 HydrophobicContact CB-CE2 3.87Å; I239-Y241 HydrophobicContact CG2-CD1 4.5Å; I239-Y241 HydrophobicContact CG2-CD2 4.05Å; I239-Y241 HydrophobicContact CG2-CE1 4.12Å; I239-Y241 HydrophobicContact CG2-CE2 3.62Å; I239-Y241 HydrophobicContact CG2-CG 4.47Å; Y241-L243 PolarHBondContact O-N 2.76Å; Y241-S248 CarbonylContact O-C 3.55Å; Y241-S248 VanDerWaalsContact O-CA 3.26Å; Y241-S248 WeakPolarHBondContact O-CA 3.48Å; Y241-V249 PolarHBondContact N-O 2.9Å; Y241-V249 PolarHBondContact O-N 2.81Å; Y241-V251 HydrophobicContact CD2-CG2 3.94Å; Y241-V251 HydrophobicContact CE2-CG2 3.67Å
242H95.4Very high95.1Very high20 Ų2030.7 Ų30.79%0.09318%0.184CC..EExtended strand (participates in β ladder)trans-93.495.6177.5-56.7-84.6000109.6W73 T74 T76 A84 V86 S244W73-H242 WeakPolarHBondContact CA-O 3.27Å; W73-H242 WeakPolarHBondContact CB-O 3.32Å; T74-H242 PolarHBondContact N-O 3.38Å; T74-H242 PolarHBondContact O-CD2 2.82Å; T74-H242 PolarHBondContact O-N 2.68Å; T74-H242 WeakPolarHBondContact OG1-CB 3.33Å; T76-H242 PolarHBondContact OG1-NE2 3.42Å; A84-H242 HydrophobicContact CB-CB 4.43Å; V86-H242 HydrophobicContact CG2-CB 4.37Å; H242-S244 VanDerWaalsContact C-N 3.33Å
243L94.5Very high95.2Very high4 Ų431.9 Ų31.92%0.02120%0.195CC..SBendtrans-73.8-27-178.2-54.2-180000112.2W73 F210 K211 Y241 L247 V249W73-L243 HydrophobicContact CB-CD2 4.18Å; W73-L243 HydrophobicContact CD2-CD2 4.25Å; W73-L243 HydrophobicContact CE3-CD2 3.57Å; W73-L243 HydrophobicContact CZ3-CD2 4.28Å; F210-L243 HydrophobicContact CB-CD1 4.02Å; K211-L243 WeakPolarHBondContact CE-O 3.32Å; K211-L243 PolarHBondContact NZ-O 3.28Å; Y241-L243 PolarHBondContact O-N 2.76Å; L243-L247 HydrophobicContact CB-CD2 4.14Å; L243-L247 HydrophobicContact CB-CG 4.23Å; L243-L247 HydrophobicContact CD1-CD2 3.98Å; L243-L247 HydrophobicContact CD1-CG 4.24Å; L243-L247 PolarHBondContact N-O 3.49Å; L243-V249 HydrophobicContact CD1-CG2 3.95Å
244S92.9Very high95.3Very high12 Ų1230.1 Ų30.18%0.08419%0.188CC..SBendtrans-147.9-178.6170.280.90000109.9D214 H242 R246 L247D214-S244 PolarHBondContact OD1-OG 3.06Å; H242-S244 VanDerWaalsContact C-N 3.33Å; S244-R246 PolarHBondContact O-N 3.23Å; S244-R246 WeakPolarHBondContact OG-CG 3.32Å; S244-R246 PolarHBondContact OG-N 3.13Å; S244-L247 PolarHBondContact N-O 3.16Å; S244-L247 WeakPolarHBondContact OG-CB 3.26Å; S244-L247 PolarHBondContact OG-N 2.91Å
245S91.7Very high95.5Very high102 Ų10227 Ų2771%0.71316%0.159SC*.SBendtrans-65.9-15.2175.656.70000113.4
246R94.1Very high95.6Very high29 Ų2923.6 Ų23.611%0.10913%0.129CC..SBendtrans-125.3-14.7-176.468.8177.7-145.9131.4-8.4114.2D214 F217 K218 S219 L221 R222 I223 S244D214-R246 PolarHBondContact O-NH2 3.41Å; D214-R246 WeakPolarHBondContact OD1-CD 3.32Å; D214-R246 WeakPolarHBondContact OD1-CG 3.42Å; D214-R246 IonicContact OD1-CZ 3.49Å; D214-R246 IonicContact OD1-NE 3.26Å; D214-R246 PolarHBondContact OD1-NE 3.18Å; F217-R246 PolarHBondContact O-NH2 3.19Å; K218-R246 PolarHBondContact O-NH1 3.04Å; S219-R246 VanDerWaalsContact C-NH1 3.35Å; S219-R246 PolarHBondContact O-NH1 3.49Å; L221-R246 WeakPolarHBondContact O-CD 3.44Å; L221-R246 PolarHBondContact O-NH1 3.22Å; R222-R246 CarbonylContact C-O 3.49Å; R222-R246 WeakPolarHBondContact CA-O 3.29Å; R222-R246 WeakPolarHBondContact CG-O 3.33Å; I223-R246 PolarHBondContact N-O 3.12Å; S244-R246 PolarHBondContact O-N 3.23Å; S244-R246 WeakPolarHBondContact OG-CG 3.32Å; S244-R246 PolarHBondContact OG-N 3.13Å
247L96.2Very high95.6Very high1 Ų124.3 Ų24.31%0.00513%0.132CC..EExtended strand (participates in β ladder)trans-111.1121.9-179.717662.8000110.4F210 L213 D214 I223 I225 L243 S244F210-L247 WeakPolarHBondContact O-CD2 3.35Å; L213-L247 HydrophobicContact CB-CD2 4.2Å; D214-L247 HydrophobicContact CB-CD2 4.47Å; I223-L247 HydrophobicContact CB-CD1 3.69Å; I223-L247 HydrophobicContact CD1-CD1 4.46Å; I223-L247 HydrophobicContact CG2-CD1 3.63Å; I223-L247 WeakPolarHBondContact O-CA 3.46Å; I225-L247 HydrophobicContact CD1-CD1 4.02Å; I225-L247 HydrophobicContact CG1-CD1 4.38Å; L243-L247 HydrophobicContact CB-CD2 4.14Å; L243-L247 HydrophobicContact CB-CG 4.23Å; L243-L247 HydrophobicContact CD1-CD2 3.98Å; L243-L247 HydrophobicContact CD1-CG 4.24Å; L243-L247 PolarHBondContact N-O 3.49Å; S244-L247 PolarHBondContact N-O 3.16Å; S244-L247 WeakPolarHBondContact OG-CB 3.26Å; S244-L247 PolarHBondContact OG-N 2.91Å
248S96.2Very high95.6Very high5 Ų526 Ų264%0.03514%0.139CC..EExtended strand (participates in β ladder)trans-134.3145.6178.456.10000111.6I223 I225 Y241I223-S248 PolarHBondContact O-N 3.17Å; I225-S248 PolarHBondContact N-O 2.81Å; Y241-S248 CarbonylContact O-C 3.55Å; Y241-S248 VanDerWaalsContact O-CA 3.26Å; Y241-S248 WeakPolarHBondContact O-CA 3.48Å
249V97.6Very high95.6Very high0 Ų021.7 Ų21.70%012%0.122CC..EExtended strand (participates in β ladder)trans-120.6116.1172.9-172.10000109.1L207 I225 F227 V240 Y241 L243L207-V249 HydrophobicContact CD2-CB 3.73Å; L207-V249 HydrophobicContact CD2-CG1 3.68Å; L207-V249 HydrophobicContact CD2-CG2 3.76Å; I225-V249 HydrophobicContact CB-CG1 4.46Å; I225-V249 HydrophobicContact CB-CG2 4.24Å; I225-V249 HydrophobicContact CD1-CG2 4.5Å; I225-V249 CarbonylContact O-C 3.53Å; I225-V249 VanDerWaalsContact O-CA 3.28Å; I225-V249 WeakPolarHBondContact O-CA 3.32Å; F227-V249 HydrophobicContact CB-CG1 4.22Å; F227-V249 HydrophobicContact CD1-CG1 3.73Å; F227-V249 HydrophobicContact CD2-CG1 3.78Å; F227-V249 HydrophobicContact CE1-CG1 4.01Å; F227-V249 HydrophobicContact CE2-CG1 4.05Å; F227-V249 HydrophobicContact CG-CG1 3.62Å; F227-V249 HydrophobicContact CZ-CG1 4.16Å; V240-V249 CarbonylContact C-O 3.51Å; V240-V249 WeakPolarHBondContact CA-O 3.39Å; Y241-V249 PolarHBondContact N-O 2.9Å; Y241-V249 PolarHBondContact O-N 2.81Å; L243-V249 HydrophobicContact CD1-CG2 3.95Å
250S96.4Very high95.5Very high7 Ų722 Ų225%0.04912%0.124CC..EExtended strand (participates in β ladder)trans-97.6130.5177-54.60000109.3I225 Y226 F227I225-S250 PolarHBondContact O-N 3.48Å; Y226-S250 CarbonylContact C-O 3.5Å; Y226-S250 VanDerWaalsContact CA-O 3.29Å; Y226-S250 WeakPolarHBondContact CA-O 3.42Å; F227-S250 PolarHBondContact N-O 2.93Å
251V97.3Very high95.2Very high0 Ų029.3 Ų29.30%016%0.157CC..EExtended strand (participates in β ladder)trans-104.7131.7-177.5179.70000109.5I78 L204 F227 F232 T236 R238 I239 Y241I78-V251 WeakPolarHBondContact CD1-O 3.38Å; L204-V251 HydrophobicContact CD1-CG1 4.49Å; L204-V251 HydrophobicContact CD1-CG2 3.57Å; L204-V251 HydrophobicContact CD2-CG1 4.15Å; F227-V251 HydrophobicContact CB-CG2 4.46Å; F232-V251 HydrophobicContact CD2-CG1 3.43Å; F232-V251 VanDerWaalsContact CD2-CG1 3.43Å; F232-V251 HydrophobicContact CE2-CG1 3.62Å; F232-V251 HydrophobicContact CG-CG1 4.3Å; T236-V251 VanDerWaalsContact O-CB 3.32Å; T236-V251 WeakPolarHBondContact O-CB 3.37Å; T236-V251 WeakPolarHBondContact O-CG1 3.41Å; R238-V251 WeakPolarHBondContact CA-O 3.43Å; R238-V251 PolarHBondContact N-O 3.19Å; I239-V251 PolarHBondContact O-N 3.31Å; Y241-V251 HydrophobicContact CD2-CG2 3.94Å; Y241-V251 HydrophobicContact CE2-CG2 3.67Å
252W96.6Very high94.8Very high17 Ų1731.7 Ų31.76%0.06417%0.174CC..EExtended strand (participates in β ladder)trans-137.2125.8176.2-172.895.6000110.5F227 I228 G229 G254 L255 E258 F259 T262F227-W252 PolarHBondContact O-N 3.15Å; I228-W252 WeakPolarHBondContact CA-O 3.05Å; I228-W252 HydrophobicContact CG2-CE3 3.9Å; I228-W252 HydrophobicContact CG2-CZ3 4.21Å; G229-W252 PolarHBondContact N-O 2.57Å; W252-G254 VanDerWaalsContact CZ3-C 3.46Å; W252-L255 WeakPolarHBondContact CZ3-O 3.41Å; W252-E258 HydrophobicContact CH2-CB 3.74Å; W252-F259 HydrophobicContact CB-CD2 4.1Å; W252-F259 HydrophobicContact CB-CE2 4.17Å; W252-F259 AromaticContact CD1-CD2 3.89Å; W252-F259 HydrophobicContact CD2-CB 4.1Å; W252-F259 AromaticContact CD2-CD2 3.53Å; W252-F259 HydrophobicContact CD2-CD2 3.53Å; W252-F259 HydrophobicContact CD2-CE2 4.41Å; W252-F259 HydrophobicContact CD2-CG 4.25Å; W252-F259 AromaticContact CE2-CD2 3.88Å; W252-F259 HydrophobicContact CE3-CB 3.71Å; W252-F259 AromaticContact CE3-CD2 3.92Å; W252-F259 HydrophobicContact CE3-CD2 3.92Å; W252-F259 HydrophobicContact CE3-CG 4.2Å; W252-F259 AromaticContact CG-CD2 3.58Å; W252-F259 HydrophobicContact CG-CD2 3.58Å; W252-F259 AromaticContact CG-CE2 3.99Å; W252-F259 HydrophobicContact CG-CE2 3.99Å; W252-F259 HydrophobicContact CH2-CB 3.94Å; W252-F259 HydrophobicContact CZ2-CB 4.29Å; W252-F259 HydrophobicContact CZ3-CB 3.6Å; W252-T262 HydrophobicContact CZ2-CG2 3.9Å
253S96.2Very high94Very high42 Ų4233.3 Ų33.329%0.29418%0.181SC..EExtended strand (participates in β ladder)trans-89.9123.4-177.2-164.20000112.6G229 D237G229-S253 CarbonylContact O-C 3.56Å; G229-S253 WeakPolarHBondContact O-CA 3.43Å; G229-S253 PolarHBondContact O-OG 3.02Å; D237-S253 WeakPolarHBondContact OD1-CB 3.2Å; D237-S253 PolarHBondContact OD1-N 2.97Å
254G96.4Very high92.7Very high12 Ų1242.7 Ų42.712%0.12422%0.222CC..SBendtrans145.2-162.2174.500000113.2G229 W252G229-G254 CarbonylContact C-O 3.57Å; G229-G254 PolarHBondContact O-N 3.27Å; W252-G254 VanDerWaalsContact CZ3-C 3.46Å
255L97Very high91.4Very high24 Ų2445.4 Ų45.413%0.12624%0.241CC..  trans-90.6150.6175.1-68.4162000111.3R230 W252 H257 E258 F259 T284R230-L255 HydrophobicContact CG-CD2 4.28Å; R230-L255 HydrophobicContact CG-CG 4.42Å; W252-L255 WeakPolarHBondContact CZ3-O 3.41Å; L255-H257 VanDerWaalsContact C-N 3.33Å; L255-H257 VanDerWaalsContact CB-CE1 3.46Å; L255-H257 WeakPolarHBondContact CB-CE1 3.16Å; L255-H257 PolarHBondContact O-N 2.88Å; L255-E258 HydrophobicContact CB-CG 4.1Å; L255-E258 PolarHBondContact N-OE2 2.96Å; L255-E258 WeakPolarHBondContact O-CB 3.23Å; L255-E258 PolarHBondContact O-N 3.5Å; L255-F259 PolarHBondContact O-N 3.06Å; L255-T284 HydrophobicContact CD1-CG2 4.06Å; L255-T284 HydrophobicContact CD2-CG2 4.03Å
256Y96.9Very high90.2Very high8 Ų848.6 Ų48.63%0.03125%0.25CC..Hα-helixtrans-64.3-34.9-175.6-174.5-110.6000113.8H196 I198 I228 E258 F259 L260 I272 T288 I292H196-Y256 HydrophobicContact CB-CE2 3.93Å; H196-Y256 AromaticContact CG-CE2 3.98Å; H196-Y256 AromaticContact ND1-CE2 3.42Å; H196-Y256 WeakPolarHBondContact ND1-CE2 3.32Å; H196-Y256 AromaticContact ND1-CZ 3.61Å; H196-Y256 PolarHBondContact ND1-OH 3.01Å; I198-Y256 HydrophobicContact CB-CD2 4.47Å; I198-Y256 HydrophobicContact CB-CG 4.49Å; I198-Y256 HydrophobicContact CG2-CD1 4.37Å; I198-Y256 HydrophobicContact CG2-CD2 3.3Å; I198-Y256 HydrophobicContact CG2-CE2 3.75Å; I198-Y256 HydrophobicContact CG2-CG 3.64Å; I228-Y256 HydrophobicContact CD1-CD2 4.21Å; I228-Y256 HydrophobicContact CD1-CE2 4.31Å; I228-Y256 HydrophobicContact CG1-CD2 4.34Å; I228-Y256 HydrophobicContact CG2-CD2 4.39Å; Y256-E258 VanDerWaalsContact C-N 3.29Å; Y256-E258 PolarHBondContact O-N 2.87Å; Y256-F259 HydrophobicContact CD2-CB 4.5Å; Y256-F259 AromaticContact CD2-CD1 3.91Å; Y256-F259 HydrophobicContact CD2-CD1 3.91Å; Y256-F259 AromaticContact CE2-CD1 3.74Å; Y256-F259 HydrophobicContact CE2-CD1 3.74Å; Y256-F259 HydrophobicContact CE2-CE1 4.2Å; Y256-F259 WeakPolarHBondContact O-CB 3.5Å; Y256-F259 PolarHBondContact O-N 2.88Å; Y256-L260 HydrophobicContact CD1-CD1 4.08Å; Y256-L260 HydrophobicContact CD1-CG 4.34Å; Y256-L260 HydrophobicContact CE1-CD1 3.77Å; Y256-L260 HydrophobicContact CE1-CD2 4.11Å; Y256-L260 HydrophobicContact CE1-CG 3.99Å; Y256-L260 WeakPolarHBondContact O-CG 3.4Å; Y256-L260 PolarHBondContact O-N 3.47Å; Y256-I272 HydrophobicContact CE1-CD1 4.02Å; Y256-I272 VanDerWaalsContact OH-CD1 3.27Å; Y256-I272 WeakPolarHBondContact OH-CD1 3.47Å; Y256-T288 HydrophobicContact CD1-CG2 4.3Å; Y256-I292 HydrophobicContact CD1-CD1 4.15Å; Y256-I292 HydrophobicContact CD1-CG1 3.6Å; Y256-I292 HydrophobicContact CE1-CD1 4.4Å; Y256-I292 HydrophobicContact CE1-CG1 3.55Å
257H95.2Very high89.6Confident20 Ų2050.7 Ų50.79%0.09326%0.261CS..Hα-helixtrans-66.6-30.3174.353.6-94.9000112.6L255 H261 L287 T288 S291L255-H257 VanDerWaalsContact C-N 3.33Å; L255-H257 VanDerWaalsContact CB-CE1 3.46Å; L255-H257 WeakPolarHBondContact CB-CE1 3.16Å; L255-H257 PolarHBondContact O-N 2.88Å; H257-H261 PolarHBondContact O-CD2 3.47Å; H257-L287 HydrophobicContact CB-CG 4.43Å; H257-T288 PolarHBondContact ND1-OG1 3.24Å; H257-S291 WeakPolarHBondContact CB-OG 3.22Å
258E95.6Very high89.2Confident88 Ų8855.2 Ų55.241%0.41129%0.285SS..Hα-helixtrans-70.6-43.1171.5-61.4167.2164.200110.7W252 L255 Y256 L260 H261 T262W252-E258 HydrophobicContact CH2-CB 3.74Å; L255-E258 HydrophobicContact CB-CG 4.1Å; L255-E258 PolarHBondContact N-OE2 2.96Å; L255-E258 WeakPolarHBondContact O-CB 3.23Å; L255-E258 PolarHBondContact O-N 3.5Å; Y256-E258 VanDerWaalsContact C-N 3.29Å; Y256-E258 PolarHBondContact O-N 2.87Å; E258-L260 VanDerWaalsContact C-N 3.3Å; E258-L260 PolarHBondContact O-N 2.78Å; E258-H261 WeakPolarHBondContact O-CB 3.29Å; E258-H261 PolarHBondContact O-N 3.28Å; E258-T262 PolarHBondContact O-N 3.23Å
259F94.8Very high89.2Confident7 Ų755.3 Ų55.33%0.03129%0.286CS..Hα-helixtrans-55.6-44.7176.7174.7-111.6000112.1H196 Y226 I228 W252 L255 Y256 H261 T262 Q263H196-F259 AromaticContact CE1-CE1 3.58Å; H196-F259 AromaticContact ND1-CE1 3.86Å; H196-F259 AromaticContact NE2-CE1 3.94Å; Y226-F259 HydrophobicContact CD1-CE2 4.23Å; Y226-F259 AromaticContact CD1-CZ 3.75Å; Y226-F259 HydrophobicContact CD1-CZ 3.75Å; Y226-F259 HydrophobicContact CE1-CZ 4.21Å; Y226-F259 HydrophobicContact CG-CZ 4.23Å; I228-F259 HydrophobicContact CD1-CD1 4.33Å; I228-F259 HydrophobicContact CD1-CE1 4.19Å; I228-F259 HydrophobicContact CG1-CD1 4.15Å; I228-F259 HydrophobicContact CG1-CD2 4.38Å; I228-F259 HydrophobicContact CG1-CE1 4.37Å; I228-F259 HydrophobicContact CG1-CG 4.12Å; I228-F259 HydrophobicContact CG2-CB 4.49Å; W252-F259 HydrophobicContact CB-CD2 4.1Å; W252-F259 HydrophobicContact CB-CE2 4.17Å; W252-F259 AromaticContact CD1-CD2 3.89Å; W252-F259 HydrophobicContact CD2-CB 4.1Å; W252-F259 AromaticContact CD2-CD2 3.53Å; W252-F259 HydrophobicContact CD2-CD2 3.53Å; W252-F259 HydrophobicContact CD2-CE2 4.41Å; W252-F259 HydrophobicContact CD2-CG 4.25Å; W252-F259 AromaticContact CE2-CD2 3.88Å; W252-F259 HydrophobicContact CE3-CB 3.71Å; W252-F259 AromaticContact CE3-CD2 3.92Å; W252-F259 HydrophobicContact CE3-CD2 3.92Å; W252-F259 HydrophobicContact CE3-CG 4.2Å; W252-F259 AromaticContact CG-CD2 3.58Å; W252-F259 HydrophobicContact CG-CD2 3.58Å; W252-F259 AromaticContact CG-CE2 3.99Å; W252-F259 HydrophobicContact CG-CE2 3.99Å; W252-F259 HydrophobicContact CH2-CB 3.94Å; W252-F259 HydrophobicContact CZ2-CB 4.29Å; W252-F259 HydrophobicContact CZ3-CB 3.6Å; L255-F259 PolarHBondContact O-N 3.06Å; Y256-F259 HydrophobicContact CD2-CB 4.5Å; Y256-F259 AromaticContact CD2-CD1 3.91Å; Y256-F259 HydrophobicContact CD2-CD1 3.91Å; Y256-F259 AromaticContact CE2-CD1 3.74Å; Y256-F259 HydrophobicContact CE2-CD1 3.74Å; Y256-F259 HydrophobicContact CE2-CE1 4.2Å; Y256-F259 WeakPolarHBondContact O-CB 3.5Å; Y256-F259 PolarHBondContact O-N 2.88Å; F259-H261 PolarHBondContact O-N 3.32Å; F259-T262 PolarHBondContact O-N 3.07Å; F259-T262 PolarHBondContact O-OG1 3.19Å; F259-Q263 HydrophobicContact CE1-CG 4.16Å; F259-Q263 HydrophobicContact CE2-CG 4.49Å; F259-Q263 HydrophobicContact CZ-CG 4.16Å; F259-Q263 PolarHBondContact O-N 3.26Å
260L93.1Very high89.1Confident42 Ų4256.3 Ų56.322%0.2229%0.291CS..Hα-helixtrans-57-35.3177.2-71.1173.1000112.6Y256 E258 T262 T295Y256-L260 HydrophobicContact CD1-CD1 4.08Å; Y256-L260 HydrophobicContact CD1-CG 4.34Å; Y256-L260 HydrophobicContact CE1-CD1 3.77Å; Y256-L260 HydrophobicContact CE1-CD2 4.11Å; Y256-L260 HydrophobicContact CE1-CG 3.99Å; Y256-L260 WeakPolarHBondContact O-CG 3.4Å; Y256-L260 PolarHBondContact O-N 3.47Å; E258-L260 VanDerWaalsContact C-N 3.3Å; E258-L260 PolarHBondContact O-N 2.78Å; L260-T262 VanDerWaalsContact C-N 3.33Å; L260-T295 HydrophobicContact CD1-CG2 4.09Å; L260-T295 HydrophobicContact CD2-CG2 4.04Å
261H90.4Very high89.1Confident162 Ų16256 Ų5675%0.7529%0.289SS*.Hα-helixtrans-74-21.7175.5-66-54.2000113.8H257 E258 F259H257-H261 PolarHBondContact O-CD2 3.47Å; E258-H261 WeakPolarHBondContact O-CB 3.29Å; E258-H261 PolarHBondContact O-N 3.28Å; F259-H261 PolarHBondContact O-N 3.32Å
262T87.6Confident89.2Confident64 Ų6456 Ų5639%0.39329%0.289SS..Hα-helixtrans-86.9-16.4178.767.80000113.9W252 E258 F259 L260 K264W252-T262 HydrophobicContact CZ2-CG2 3.9Å; E258-T262 PolarHBondContact O-N 3.23Å; F259-T262 PolarHBondContact O-N 3.07Å; F259-T262 PolarHBondContact O-OG1 3.19Å; L260-T262 VanDerWaalsContact C-N 3.33Å; T262-K264 PolarHBondContact O-N 2.93Å; T262-K264 VanDerWaalsContact O-N 3.14Å
263Q78.1Confident89.2Confident53 Ų5355.2 Ų55.225%0.24829%0.286CS..  trans-66111.7178.2-75.3-122.51.100110.6F259 E267F259-Q263 HydrophobicContact CE1-CG 4.16Å; F259-Q263 HydrophobicContact CE2-CG 4.49Å; F259-Q263 HydrophobicContact CZ-CG 4.16Å; F259-Q263 PolarHBondContact O-N 3.26Å; Q263-E267 PolarHBondContact OE1-O 3.38Å
264K66.3Low89.3Confident201 Ų20153.2 Ų53.287%0.87427%0.272SS*.  trans-77.3-24173.3-67.4177.7179.9169.50112.8T262T262-K264 PolarHBondContact O-N 2.93Å; T262-K264 VanDerWaalsContact O-N 3.14Å
265S65.1Low89.4Confident69 Ų6953 Ų5348%0.48327%0.267SS..SBendtrans-92.1142.3-177.5-175.80000110E267S265-E267 PolarHBondContact O-N 3.24Å; S265-E267 VanDerWaalsContact O-N 3.09Å; S265-E267 VanDerWaalsContact OG-CB 3.27Å; S265-E267 WeakPolarHBondContact OG-CB 3.17Å; S265-E267 PolarHBondContact OG-N 2.95Å
266N66.6Low89.3Confident169 Ų16953.9 Ų53.990%0.90427%0.272SS*.  trans-73.514167.4-73.5-10.2000112.5L268N266-L268 PolarHBondContact O-N 3.3Å; N266-L268 VanDerWaalsContact O-N 3.1Å
267E82.4Confident89.2Confident74 Ų7453.9 Ų53.935%0.34627%0.274SS..  trans-79.591.9179.1-172.2170.9-127.400110.1K192 I194 Q263 S265K192-E267 WeakPolarHBondContact CE-OE1 3.45Å; K192-E267 IonicContact NZ-OE1 3.92Å; K192-E267 PolarHBondContact NZ-OE1 3.31Å; K192-E267 IonicContact NZ-OE2 2.69Å; K192-E267 PolarHBondContact NZ-OE2 3.25Å; I194-E267 HydrophobicContact CD1-CG 3.35Å; I194-E267 VanDerWaalsContact CD1-OE1 3.25Å; I194-E267 WeakPolarHBondContact CD1-OE1 3.48Å; Q263-E267 PolarHBondContact OE1-O 3.38Å; S265-E267 PolarHBondContact O-N 3.24Å; S265-E267 VanDerWaalsContact O-N 3.09Å; S265-E267 VanDerWaalsContact OG-CB 3.27Å; S265-E267 WeakPolarHBondContact OG-CB 3.17Å; S265-E267 PolarHBondContact OG-N 2.95Å
268L88.3Confident89.1Confident96 Ų9653.6 Ų53.650%0.50328%0.277SS..  trans-68.8153.3171.4-63.9173.7000111N266 V297N266-L268 PolarHBondContact O-N 3.3Å; N266-L268 VanDerWaalsContact O-N 3.1Å; L268-V297 HydrophobicContact CB-CG2 4.25Å
269A95.1Very high89Confident7 Ų749.5 Ų49.56%0.05826%0.258CS..  trans-62.5153.7167.400000111.6I194 H196 I272 V297I194-A269 HydrophobicContact CG2-CB 4.34Å; H196-A269 HydrophobicContact CB-CB 4.34Å; A269-I272 HydrophobicContact CB-CG1 4.43Å; A269-V297 HydrophobicContact CB-CG1 4.21Å; A269-V297 WeakPolarHBondContact O-CG1 3.42Å; A269-V297 WeakPolarHBondContact O-CG2 3.46Å
270D95.6Very high88.8Confident21 Ų2151.8 Ų51.811%0.11228%0.278CS..SBendtrans-84.6-25.2168.4-59.7-62000111.4I187 L193 I194I187-D270 HydrophobicContact CD1-CB 3.84Å; I187-D270 HydrophobicContact CG1-CB 4.16Å; L193-D270 HydrophobicContact CD1-CB 3.97Å; I194-D270 PolarHBondContact N-OD2 3.21Å; I194-D270 PolarHBondContact O-N 3.36Å
271L97.4Very high88.7Confident0 Ų053.3 Ų53.30%030%0.296CS..EExtended strand (participates in β ladder)trans-152140.7-177.5-179.962.3000111.5I171 V172 L176 I194 I195 H196 I273 P298 F300I171-L271 HydrophobicContact CG2-CD1 4.27Å; I171-L271 HydrophobicContact CG2-CD2 3.89Å; V172-L271 HydrophobicContact CG2-CD2 3.5Å; V172-L271 VanDerWaalsContact CG2-CD2 3.5Å; L176-L271 HydrophobicContact CD1-CD1 4.22Å; I194-L271 PolarHBondContact O-N 3.2Å; I195-L271 WeakPolarHBondContact CA-O 3.35Å; I195-L271 HydrophobicContact CG1-CB 4.49Å; H196-L271 PolarHBondContact N-O 3.46Å; L271-I273 HydrophobicContact CD2-CD1 3.72Å; L271-I273 HydrophobicContact CD2-CG1 3.99Å; L271-I273 HydrophobicContact CG-CD1 4.27Å; L271-I273 HydrophobicContact CG-CG1 3.99Å; L271-P298 HydrophobicContact CD1-CB 4.31Å; L271-P298 WeakPolarHBondContact CD1-O 3.16Å; L271-F300 HydrophobicContact CD1-CD2 3.63Å; L271-F300 HydrophobicContact CD1-CE2 3.93Å
272I97.8Very high88.7Confident0 Ų051.2 Ų51.20%028%0.282CS..EExtended strand (participates in β ladder)trans-114.9134.3170.6-60.3162.6000109.3H196 I198 Y256 A269 I292 V297 P298 V299 F300H196-I272 HydrophobicContact CB-CG1 4.21Å; H196-I272 CarbonylContact O-C 3.57Å; H196-I272 VanDerWaalsContact O-CA 3.31Å; H196-I272 WeakPolarHBondContact O-CA 3.47Å; I198-I272 HydrophobicContact CD1-CG2 3.85Å; I198-I272 HydrophobicContact CG1-CG2 4.17Å; I198-I272 HydrophobicContact CG2-CG2 4.1Å; Y256-I272 HydrophobicContact CE1-CD1 4.02Å; Y256-I272 VanDerWaalsContact OH-CD1 3.27Å; Y256-I272 WeakPolarHBondContact OH-CD1 3.47Å; A269-I272 HydrophobicContact CB-CG1 4.43Å; I272-I292 HydrophobicContact CD1-CG1 4.37Å; I272-I292 HydrophobicContact CD1-CG2 3.78Å; I272-V297 HydrophobicContact CD1-CB 3.83Å; I272-V297 HydrophobicContact CD1-CG1 3.86Å; I272-V297 HydrophobicContact CG1-CB 4.35Å; I272-V297 HydrophobicContact CG1-CG1 3.81Å; I272-P298 PolarHBondContact N-O 3.12Å; I272-V299 HydrophobicContact CB-CB 4.14Å; I272-V299 HydrophobicContact CB-CG2 3.95Å; I272-V299 HydrophobicContact CG2-CG2 3.84Å; I272-V299 CarbonylContact O-C 3.51Å; I272-V299 VanDerWaalsContact O-CA 3.32Å; I272-V299 WeakPolarHBondContact O-CA 3.3Å; I272-F300 PolarHBondContact O-N 3.32Å
273I98.4Very high89Confident0 Ų053.9 Ų53.90%030%0.301CS..EExtended strand (participates in β ladder)trans-129.3134.8177.3-59.2172.9000109.7L168 I171 I195 H196 V197 I198 L271 F275 F300L168-I273 HydrophobicContact CB-CD1 4.23Å; L168-I273 HydrophobicContact CD1-CD1 4.28Å; L168-I273 HydrophobicContact CG-CD1 3.77Å; I171-I273 HydrophobicContact CB-CD1 4.43Å; I171-I273 HydrophobicContact CD1-CD1 4.02Å; I171-I273 HydrophobicContact CD1-CG1 4.21Å; I171-I273 HydrophobicContact CD1-CG2 4.06Å; I171-I273 HydrophobicContact CG2-CD1 4.3Å; I195-I273 HydrophobicContact CG2-CD1 4.07Å; I195-I273 HydrophobicContact CG2-CG1 4.4Å; H196-I273 PolarHBondContact O-N 2.72Å; V197-I273 CarbonylContact C-O 3.5Å; V197-I273 WeakPolarHBondContact CA-O 3.32Å; I198-I273 PolarHBondContact N-O 2.84Å; L271-I273 HydrophobicContact CD2-CD1 3.72Å; L271-I273 HydrophobicContact CD2-CG1 3.99Å; L271-I273 HydrophobicContact CG-CD1 4.27Å; L271-I273 HydrophobicContact CG-CG1 3.99Å; I273-F275 HydrophobicContact CG2-CD1 3.96Å; I273-F275 HydrophobicContact CG2-CE1 3.72Å; I273-F275 HydrophobicContact CG2-CG 4.47Å; I273-F275 HydrophobicContact CG2-CZ 4.05Å; I273-F300 CarbonylContact C-O 3.5Å; I273-F300 WeakPolarHBondContact CA-O 3.31Å
274G98Very high89.8Confident0 Ų053.3 Ų53.30%030%0.301CS..EExtended strand (participates in β ladder)trans-122113.5165.300000110.9I198 F300 F301 T302I198-G274 WeakPolarHBondContact O-CA 3.44Å; G274-F300 PolarHBondContact N-O 2.7Å; G274-F301 CarbonylContact O-C 3.58Å; G274-F301 VanDerWaalsContact O-CA 3.23Å; G274-F301 WeakPolarHBondContact O-CA 3.48Å; G274-T302 PolarHBondContact O-N 3.08Å
275F97.9Very high91.2Very high7 Ų744.7 Ų44.73%0.03126%0.263CS..THydrogen-bonded Turntrans-79140.2178.6-60.6-60.4000111.4W164 T167 L168 V197 E203 F210 I273 A277 T302W164-F275 HydrophobicContact CE3-CB 3.98Å; W164-F275 HydrophobicContact CE3-CD1 4.38Å; W164-F275 AromaticContact CE3-CD2 3.87Å; W164-F275 HydrophobicContact CE3-CD2 3.87Å; W164-F275 HydrophobicContact CE3-CE2 4.42Å; W164-F275 AromaticContact CE3-CG 3.85Å; W164-F275 HydrophobicContact CE3-CG 3.85Å; W164-F275 HydrophobicContact CZ3-CB 3.62Å; W164-F275 HydrophobicContact CZ3-CD2 4.32Å; W164-F275 HydrophobicContact CZ3-CG 4.03Å; T167-F275 HydrophobicContact CG2-CD1 4.25Å; T167-F275 HydrophobicContact CG2-CE1 3.78Å; L168-F275 HydrophobicContact CB-CZ 4.23Å; V197-F275 HydrophobicContact CG1-CD2 3.75Å; V197-F275 HydrophobicContact CG1-CE2 3.71Å; E203-F275 HydrophobicContact CG-CD2 4.3Å; F210-F275 HydrophobicContact CZ-CE2 4.39Å; I273-F275 HydrophobicContact CG2-CD1 3.96Å; I273-F275 HydrophobicContact CG2-CE1 3.72Å; I273-F275 HydrophobicContact CG2-CG 4.47Å; I273-F275 HydrophobicContact CG2-CZ 4.05Å; F275-A277 WeakPolarHBondContact O-CA 3.13Å; F275-A277 PolarHBondContact O-N 3.37Å; F275-T302 VanDerWaalsContact CA-OG1 3.31Å; F275-T302 WeakPolarHBondContact CA-OG1 3.28Å; F275-T302 HydrophobicContact CD1-CG2 4.33Å
276N95.7Very high92.6Very high43 Ų4343.7 Ų43.723%0.2326%0.255CS..THydrogen-bonded Turntrans44.440.4175.7-80.2107.1000112.9G278 T302 S367 N368N276-G278 VanDerWaalsContact C-N 3.26Å; N276-G278 PolarHBondContact O-N 3Å; N276-G278 VanDerWaalsContact O-N 3.11Å; N276-T302 CarbonylContact C-O 3.6Å; N276-T302 WeakPolarHBondContact CA-O 3.31Å; N276-T302 PolarHBondContact N-O 3.3Å; N276-T302 VanDerWaalsContact N-O 3.1Å; N276-T302 PolarHBondContact N-OG1 3.38Å; N276-S367 PolarHBondContact OD1-OG 2.98Å; N276-N368 PolarHBondContact ND2-N 3.44Å; N276-N368 PolarHBondContact OD1-N 3.03Å; N276-N368 PolarHBondContact OD1-OD1 3.47Å
277A94.3Very high94Very high8 Ų840.4 Ų40.47%0.06624%0.237CC..  trans-67.2-25.4-155.600000114F275 L279 W285 F301 T302F275-A277 WeakPolarHBondContact O-CA 3.13Å; F275-A277 PolarHBondContact O-N 3.37Å; A277-L279 HydrophobicContact CB-CD2 3.86Å; A277-L279 HydrophobicContact CB-CG 4.29Å; A277-L279 PolarHBondContact O-N 2.99Å; A277-W285 HydrophobicContact CB-CH2 4.15Å; A277-W285 HydrophobicContact CB-CZ2 3.71Å; A277-W285 PolarHBondContact O-NE1 3.45Å; A277-F301 HydrophobicContact CB-CB 4.36Å; A277-F301 HydrophobicContact CB-CD1 3.5Å; A277-F301 VanDerWaalsContact CB-CD1 3.5Å; A277-F301 HydrophobicContact CB-CE1 4.2Å; A277-F301 HydrophobicContact CB-CG 4.28Å; A277-T302 PolarHBondContact N-O 3.39Å
278G92.4Very high94.7Very high15 Ų1537.1 Ų37.116%0.15522%0.222CC..  trans53.855.118000000110.7N276 A280 A281 D303N276-G278 VanDerWaalsContact C-N 3.26Å; N276-G278 PolarHBondContact O-N 3Å; N276-G278 VanDerWaalsContact O-N 3.11Å; G278-A280 PolarHBondContact O-N 2.75Å; G278-A281 VanDerWaalsContact O-CB 3.31Å; G278-A281 WeakPolarHBondContact O-CB 3.18Å; G278-A281 PolarHBondContact O-N 3.23Å; G278-D303 WeakPolarHBondContact CA-OD2 3.41Å; G278-D303 PolarHBondContact N-OD2 3.04Å
279L93.2Very high95Very high2 Ų232.6 Ų32.61%0.0120%0.198CC..THydrogen-bonded Turntrans-55.9-27.8-169.2-66.9-175.6000113.8A277 W285 F301 F372 P374A277-L279 HydrophobicContact CB-CD2 3.86Å; A277-L279 HydrophobicContact CB-CG 4.29Å; A277-L279 PolarHBondContact O-N 2.99Å; L279-W285 VanDerWaalsContact CA-CD1 3.46Å; L279-W285 HydrophobicContact CD2-CD2 3.41Å; L279-W285 VanDerWaalsContact CD2-CD2 3.41Å; L279-W285 HydrophobicContact CD2-CE3 3.56Å; L279-W285 HydrophobicContact CD2-CG 3.88Å; L279-W285 HydrophobicContact CD2-CH2 4.13Å; L279-W285 HydrophobicContact CD2-CZ2 3.98Å; L279-W285 HydrophobicContact CD2-CZ3 3.92Å; L279-W285 WeakPolarHBondContact O-CB 3.32Å; L279-W285 VanDerWaalsContact O-CD1 3.31Å; L279-F301 HydrophobicContact CD1-CD2 3.98Å; L279-F301 HydrophobicContact CD1-CE2 4.25Å; L279-F301 HydrophobicContact CD1-CG 4.18Å; L279-F301 HydrophobicContact CD2-CD1 3.95Å; L279-F301 HydrophobicContact CD2-CE1 3.85Å; L279-F301 HydrophobicContact CD2-CE2 4.43Å; L279-F301 HydrophobicContact CD2-CG 4.27Å; L279-F301 HydrophobicContact CD2-CZ 4.09Å; L279-F301 HydrophobicContact CG-CG 4.49Å; L279-F372 HydrophobicContact CD1-CE2 3.87Å; L279-F372 HydrophobicContact CD1-CZ 3.94Å; L279-F372 HydrophobicContact CG-CZ 4.44Å; L279-P374 HydrophobicContact CD1-CB 4.39Å; L279-P374 HydrophobicContact CD1-CG 4.36Å
280A91.1Very high95Very high55 Ų5534.2 Ų34.246%0.45521%0.209SC..THydrogen-bonded Turntrans-90.9-7.6176.500000114.6G278 W311 V315G278-A280 PolarHBondContact O-N 2.75Å; A280-W311 HydrophobicContact CB-CB 3.73Å; A280-W311 HydrophobicContact CB-CG 4.42Å; A280-V315 HydrophobicContact CB-CG2 3.85Å
281A90.3Very high95Very high73 Ų7333.8 Ų33.860%0.60321%0.208SC*.THydrogen-bonded Turntrans-86.4-21.7-177.100000113.2G278G278-A281 VanDerWaalsContact O-CB 3.31Å; G278-A281 WeakPolarHBondContact O-CB 3.18Å; G278-A281 PolarHBondContact O-N 3.23Å
282Y92.1Very high94.8Very high118 Ų11833.8 Ų33.846%0.46321%0.208SC..  trans-123.1130.6-174.5-56.7-80.6000112.8T284 W285Y282-T284 PolarHBondContact O-N 3.05Å; Y282-T284 VanDerWaalsContact O-N 3.14Å; Y282-W285 AromaticContact CD2-NE1 3.7Å; Y282-W285 PolarHBondContact O-N 3.33Å
283P93.5Very high94.6Very high120 Ų12035.4 Ų35.478%0.77922%0.222SC*.THydrogen-bonded Turntrans-71.9-8-176.930.6-36.7000113.8P286P283-P286 WeakPolarHBondContact O-CD 3.3Å
284T94.6Very high94.2Very high42 Ų4243.3 Ų43.326%0.25826%0.258SS..THydrogen-bonded Turntrans-83.8-14.5178.450.30000113.3L255 Y282 T288L255-T284 HydrophobicContact CD1-CG2 4.06Å; L255-T284 HydrophobicContact CD2-CG2 4.03Å; Y282-T284 PolarHBondContact O-N 3.05Å; Y282-T284 VanDerWaalsContact O-N 3.14Å; T284-T288 PolarHBondContact O-N 3.3Å; T284-T288 PolarHBondContact O-OG1 2.77Å
285W95.5Very high93.9Very high19 Ų1944.6 Ų44.67%0.07227%0.266CS..Hα-helixtrans-64.8-42.5-178.9-80.5122.7000114.2I198 A277 L279 Y282 L287 T288 L289 F301I198-W285 HydrophobicContact CD1-CH2 3.94Å; I198-W285 HydrophobicContact CD1-CZ3 3.68Å; I198-W285 HydrophobicContact CG1-CH2 4.12Å; I198-W285 HydrophobicContact CG1-CZ3 4.37Å; A277-W285 HydrophobicContact CB-CH2 4.15Å; A277-W285 HydrophobicContact CB-CZ2 3.71Å; A277-W285 PolarHBondContact O-NE1 3.45Å; L279-W285 VanDerWaalsContact CA-CD1 3.46Å; L279-W285 HydrophobicContact CD2-CD2 3.41Å; L279-W285 VanDerWaalsContact CD2-CD2 3.41Å; L279-W285 HydrophobicContact CD2-CE3 3.56Å; L279-W285 HydrophobicContact CD2-CG 3.88Å; L279-W285 HydrophobicContact CD2-CH2 4.13Å; L279-W285 HydrophobicContact CD2-CZ2 3.98Å; L279-W285 HydrophobicContact CD2-CZ3 3.92Å; L279-W285 WeakPolarHBondContact O-CB 3.32Å; L279-W285 VanDerWaalsContact O-CD1 3.31Å; Y282-W285 AromaticContact CD2-NE1 3.7Å; Y282-W285 PolarHBondContact O-N 3.33Å; W285-L287 PolarHBondContact O-N 2.81Å; W285-T288 HydrophobicContact CE3-CG2 4.02Å; W285-T288 HydrophobicContact CZ3-CG2 3.95Å; W285-T288 CarbonylContact O-C 3.54Å; W285-T288 WeakPolarHBondContact O-CB 3.38Å; W285-T288 PolarHBondContact O-N 2.88Å; W285-T288 VanDerWaalsContact O-N 3.09Å; W285-L289 WeakPolarHBondContact O-CB 3.3Å; W285-L289 VanDerWaalsContact O-CG 3.31Å; W285-L289 WeakPolarHBondContact O-CG 3.49Å; W285-L289 PolarHBondContact O-N 3.23Å; W285-F301 HydrophobicContact CH2-CD1 4.48Å; W285-F301 AromaticContact CH2-CE1 3.73Å; W285-F301 HydrophobicContact CH2-CE1 3.73Å; W285-F301 AromaticContact CZ3-CE1 3.66Å; W285-F301 HydrophobicContact CZ3-CE1 3.66Å; W285-F301 HydrophobicContact CZ3-CZ 4.05Å
286P94.8Very high93.5Very high48 Ų4847 Ų4731%0.31229%0.292SS..Hα-helixtrans-51.4-54.1-179.9-32.838.2000114.5P283 T288 L289 S290 L319P283-P286 WeakPolarHBondContact O-CD 3.3Å; P286-T288 VanDerWaalsContact C-N 3.31Å; P286-T288 PolarHBondContact O-N 3.05Å; P286-L289 PolarHBondContact O-N 2.85Å; P286-S290 PolarHBondContact O-N 2.7Å; P286-S290 PolarHBondContact O-OG 3.06Å; P286-L319 HydrophobicContact CB-CD1 4.24Å; P286-L319 HydrophobicContact CB-CD2 4.12Å
287L95.7Very high93.3Very high101 Ų10145.6 Ų45.653%0.52929%0.286SS..Hα-helixtrans-61.3-41.8177.3-179.958.3000111.7H257 W285 L289 S290 S291H257-L287 HydrophobicContact CB-CG 4.43Å; W285-L287 PolarHBondContact O-N 2.81Å; L287-L289 PolarHBondContact O-N 3.15Å; L287-S290 PolarHBondContact O-N 2.94Å; L287-S291 PolarHBondContact O-N 3.23Å; L287-S291 PolarHBondContact O-OG 3.05Å; L287-S291 VanDerWaalsContact O-OG 3.14Å
288T96.8Very high93.3Very high5 Ų546 Ų463%0.03129%0.287CS..Hα-helixtrans-62.5-43.1178.4-58.80000112.1I198 Y256 H257 T284 W285 P286 S291 I292I198-T288 HydrophobicContact CD1-CG2 4.42Å; Y256-T288 HydrophobicContact CD1-CG2 4.3Å; H257-T288 PolarHBondContact ND1-OG1 3.24Å; T284-T288 PolarHBondContact O-N 3.3Å; T284-T288 PolarHBondContact O-OG1 2.77Å; W285-T288 HydrophobicContact CE3-CG2 4.02Å; W285-T288 HydrophobicContact CZ3-CG2 3.95Å; W285-T288 CarbonylContact O-C 3.54Å; W285-T288 WeakPolarHBondContact O-CB 3.38Å; W285-T288 PolarHBondContact O-N 2.88Å; W285-T288 VanDerWaalsContact O-N 3.09Å; P286-T288 VanDerWaalsContact C-N 3.31Å; P286-T288 PolarHBondContact O-N 3.05Å; T288-S291 PolarHBondContact O-N 3.24Å; T288-I292 HydrophobicContact CG2-CD1 3.84Å; T288-I292 HydrophobicContact CG2-CG1 4.41Å; T288-I292 WeakPolarHBondContact O-CG1 3.42Å; T288-I292 PolarHBondContact O-N 2.95Å
289L95.7Very high93.4Very high0 Ų045.4 Ų45.40%028%0.281CS..Hα-helixtrans-66.2-41.2178.4-70.2171.1000111.4W285 P286 L287 I292 A293 F301 V315 L319 L321 F375W285-L289 WeakPolarHBondContact O-CB 3.3Å; W285-L289 VanDerWaalsContact O-CG 3.31Å; W285-L289 WeakPolarHBondContact O-CG 3.49Å; W285-L289 PolarHBondContact O-N 3.23Å; P286-L289 PolarHBondContact O-N 2.85Å; L287-L289 PolarHBondContact O-N 3.15Å; L289-I292 PolarHBondContact O-N 3.44Å; L289-A293 WeakPolarHBondContact O-CB 3.44Å; L289-A293 PolarHBondContact O-N 3.19Å; L289-F301 HydrophobicContact CD2-CE2 3.9Å; L289-F301 HydrophobicContact CD2-CZ 3.89Å; L289-V315 HydrophobicContact CD1-CG1 3.75Å; L289-L319 HydrophobicContact CB-CD1 3.95Å; L289-L319 HydrophobicContact CD1-CD1 4.09Å; L289-L321 HydrophobicContact CB-CD1 4.2Å; L289-F375 HydrophobicContact CB-CE1 4.39Å; L289-F375 HydrophobicContact CB-CZ 4.39Å; L289-F375 HydrophobicContact CD2-CE1 4.1Å; L289-F375 HydrophobicContact CD2-CZ 4.13Å; L289-F375 WeakPolarHBondContact O-CZ 3.32Å
290S94.6Very high93.6Very high41 Ų4145.3 Ų45.329%0.28728%0.28SS..Hα-helixtrans-58.2-48172.5-64.20000111.4P286 L287 I292 A293 E294P286-S290 PolarHBondContact O-N 2.7Å; P286-S290 PolarHBondContact O-OG 3.06Å; L287-S290 PolarHBondContact O-N 2.94Å; S290-I292 PolarHBondContact O-N 2.81Å; S290-A293 WeakPolarHBondContact O-CB 3.48Å; S290-A293 PolarHBondContact O-N 3.5Å; S290-E294 WeakPolarHBondContact O-CG 3.32Å; S290-E294 PolarHBondContact O-N 2.89Å; S290-E294 VanDerWaalsContact O-N 3.15Å
291S94.5Very high93.9Very high12 Ų1242.7 Ų42.78%0.08426%0.259CS..Hα-helixtrans-65.2-35.3177.3-55.70000113.3H257 L287 T288 E294 T295H257-S291 WeakPolarHBondContact CB-OG 3.22Å; L287-S291 PolarHBondContact O-N 3.23Å; L287-S291 PolarHBondContact O-OG 3.05Å; L287-S291 VanDerWaalsContact O-OG 3.14Å; T288-S291 PolarHBondContact O-N 3.24Å; S291-E294 PolarHBondContact O-N 2.99Å; S291-T295 WeakPolarHBondContact O-CG2 3.4Å
292I94.4Very high94.2Very high0 Ų039.2 Ų39.20%023%0.23CC..Hα-helixtrans-64.7-43.2173.4-67163.6000110.2I198 Y256 I272 T288 L289 S290 E294 T295 V299 F301 F375I198-I292 HydrophobicContact CD1-CD1 3.6Å; Y256-I292 HydrophobicContact CD1-CD1 4.15Å; Y256-I292 HydrophobicContact CD1-CG1 3.6Å; Y256-I292 HydrophobicContact CE1-CD1 4.4Å; Y256-I292 HydrophobicContact CE1-CG1 3.55Å; I272-I292 HydrophobicContact CD1-CG1 4.37Å; I272-I292 HydrophobicContact CD1-CG2 3.78Å; T288-I292 HydrophobicContact CG2-CD1 3.84Å; T288-I292 HydrophobicContact CG2-CG1 4.41Å; T288-I292 WeakPolarHBondContact O-CG1 3.42Å; T288-I292 PolarHBondContact O-N 2.95Å; L289-I292 PolarHBondContact O-N 3.44Å; S290-I292 PolarHBondContact O-N 2.81Å; I292-E294 VanDerWaalsContact C-N 3.25Å; I292-E294 PolarHBondContact O-N 2.95Å; I292-T295 PolarHBondContact O-N 3.13Å; I292-T295 VanDerWaalsContact O-N 3.09Å; I292-T295 PolarHBondContact O-OG1 2.75Å; I292-V299 HydrophobicContact CG2-CB 3.97Å; I292-V299 HydrophobicContact CG2-CG1 4.07Å; I292-V299 HydrophobicContact CG2-CG2 4.19Å; I292-F301 HydrophobicContact CD1-CZ 4.23Å; I292-F375 HydrophobicContact CB-CE2 4.25Å; I292-F375 HydrophobicContact CB-CZ 4.27Å; I292-F375 HydrophobicContact CG2-CE2 3.69Å; I292-F375 HydrophobicContact CG2-CZ 4.12Å
293A92.5Very high94.3Very high35 Ų3533.9 Ų33.929%0.28921%0.21SC..Hα-helixtrans-61-36.2179.700000112.3L289 S290 T295 G296 L321 F375L289-A293 WeakPolarHBondContact O-CB 3.44Å; L289-A293 PolarHBondContact O-N 3.19Å; S290-A293 WeakPolarHBondContact O-CB 3.48Å; S290-A293 PolarHBondContact O-N 3.5Å; A293-T295 VanDerWaalsContact C-N 3.26Å; A293-T295 PolarHBondContact O-N 3.43Å; A293-G296 PolarHBondContact O-N 3.4Å; A293-L321 HydrophobicContact CB-CD1 3.91Å; A293-L321 HydrophobicContact CB-CD2 3.48Å; A293-L321 VanDerWaalsContact CB-CD2 3.48Å; A293-L321 HydrophobicContact CB-CG 4.29Å; A293-F375 HydrophobicContact CB-CE2 4.06Å; A293-F375 HydrophobicContact CB-CZ 4.11Å
294E91.2Very high94.3Very high165 Ų16528.6 Ų28.677%0.77118%0.176SC*.Hα-helixtrans-63.8-27.5175.6-70.7172.9-174.900113.4S290 S291 I292 G296S290-E294 WeakPolarHBondContact O-CG 3.32Å; S290-E294 PolarHBondContact O-N 2.89Å; S290-E294 VanDerWaalsContact O-N 3.15Å; S291-E294 PolarHBondContact O-N 2.99Å; I292-E294 VanDerWaalsContact C-N 3.25Å; I292-E294 PolarHBondContact O-N 2.95Å; E294-G296 VanDerWaalsContact C-N 3.33Å
295T91.2Very high94Very high28 Ų2826.7 Ų26.717%0.17216%0.164CC..Hα-helixtrans-76.4-22177.776.20000113L260 S291 I292 A293 V297L260-T295 HydrophobicContact CD1-CG2 4.09Å; L260-T295 HydrophobicContact CD2-CG2 4.04Å; S291-T295 WeakPolarHBondContact O-CG2 3.4Å; I292-T295 PolarHBondContact O-N 3.13Å; I292-T295 VanDerWaalsContact O-N 3.09Å; I292-T295 PolarHBondContact O-OG1 2.75Å; A293-T295 VanDerWaalsContact C-N 3.26Å; A293-T295 PolarHBondContact O-N 3.43Å; T295-V297 PolarHBondContact O-N 3.12Å; T295-V297 WeakPolarHBondContact OG1-CB 3.39Å; T295-V297 WeakPolarHBondContact OG1-CG2 3.16Å; T295-V297 PolarHBondContact OG1-N 2.79Å
296G89.5Confident93.5Very high56 Ų5626.8 Ų26.858%0.57717%0.166SC*.THydrogen-bonded Turntrans64.510.7-173.300000114.5A293 E294A293-G296 PolarHBondContact O-N 3.4Å; E294-G296 VanDerWaalsContact C-N 3.33Å
297V92.1Very high93Very high14 Ų1429 Ų299%0.08517%0.169CC..  trans-76.8135.7-179.6176.60000109.7L268 A269 I272 T295 V299L268-V297 HydrophobicContact CB-CG2 4.25Å; A269-V297 HydrophobicContact CB-CG1 4.21Å; A269-V297 WeakPolarHBondContact O-CG1 3.42Å; A269-V297 WeakPolarHBondContact O-CG2 3.46Å; I272-V297 HydrophobicContact CD1-CB 3.83Å; I272-V297 HydrophobicContact CD1-CG1 3.86Å; I272-V297 HydrophobicContact CG1-CB 4.35Å; I272-V297 HydrophobicContact CG1-CG1 3.81Å; T295-V297 PolarHBondContact O-N 3.12Å; T295-V297 WeakPolarHBondContact OG1-CB 3.39Å; T295-V297 WeakPolarHBondContact OG1-CG2 3.16Å; T295-V297 PolarHBondContact OG1-N 2.79Å; V297-V299 PolarHBondContact O-N 3.32Å
298P93.7Very high92.7Very high16 Ų1625.3 Ų25.310%0.10415%0.151CC..  trans-54.7131.1173-26.135.3000111.7L176 N180 L271 I272L176-P298 HydrophobicContact CD1-CB 3.72Å; L176-P298 HydrophobicContact CD1-CG 3.86Å; N180-P298 HydrophobicContact CB-CG 3.83Å; N180-P298 WeakPolarHBondContact ND2-CG 3.42Å; L271-P298 HydrophobicContact CD1-CB 4.31Å; L271-P298 WeakPolarHBondContact CD1-O 3.16Å; I272-P298 PolarHBondContact N-O 3.12Å
299V95.2Very high92.3Very high3 Ų325 Ų252%0.01815%0.15CC..EExtended strand (participates in β ladder)trans-126.3138.2-177.962.40000111.2I272 I292 V297 F301 S373 F375I272-V299 HydrophobicContact CB-CB 4.14Å; I272-V299 HydrophobicContact CB-CG2 3.95Å; I272-V299 HydrophobicContact CG2-CG2 3.84Å; I272-V299 CarbonylContact O-C 3.51Å; I272-V299 VanDerWaalsContact O-CA 3.32Å; I272-V299 WeakPolarHBondContact O-CA 3.3Å; I292-V299 HydrophobicContact CG2-CB 3.97Å; I292-V299 HydrophobicContact CG2-CG1 4.07Å; I292-V299 HydrophobicContact CG2-CG2 4.19Å; V297-V299 PolarHBondContact O-N 3.32Å; V299-F301 HydrophobicContact CG1-CE2 4.44Å; V299-F301 HydrophobicContact CG2-CD2 4.06Å; V299-F301 HydrophobicContact CG2-CE1 4.48Å; V299-F301 HydrophobicContact CG2-CE2 3.37Å; V299-F301 HydrophobicContact CG2-CZ 3.63Å; V299-S373 WeakPolarHBondContact O-CB 3.2Å; V299-S373 PolarHBondContact O-OG 3.27Å; V299-F375 HydrophobicContact CG1-CD2 3.51Å; V299-F375 HydrophobicContact CG1-CE2 3.54Å; V299-F375 HydrophobicContact CG1-CG 4.24Å; V299-F375 HydrophobicContact CG1-CZ 4.27Å
300F96.4Very high91.9Very high0 Ų025.8 Ų25.80%015%0.153CC..EExtended strand (participates in β ladder)trans-129.6145.1171.5-67.4-91000110.5I171 K175 I179 L271 I272 I273 G274 I371 F372I171-F300 HydrophobicContact CD1-CB 4Å; I171-F300 HydrophobicContact CG1-CB 4.44Å; I171-F300 HydrophobicContact CG2-CB 4.06Å; I171-F300 HydrophobicContact CG2-CD1 4.4Å; I171-F300 HydrophobicContact CG2-CD2 3.4Å; I171-F300 HydrophobicContact CG2-CE2 3.82Å; I171-F300 HydrophobicContact CG2-CG 3.7Å; I171-F300 HydrophobicContact CG2-CZ 4.47Å; K175-F300 HydrophobicContact CB-CD1 4.31Å; K175-F300 HydrophobicContact CB-CE1 3.52Å; K175-F300 HydrophobicContact CB-CE2 4.38Å; K175-F300 HydrophobicContact CB-CZ 3.54Å; K175-F300 HydrophobicContact CG-CE1 4.43Å; I179-F300 HydrophobicContact CB-CZ 4.38Å; I179-F300 HydrophobicContact CD1-CE1 3.49Å; I179-F300 VanDerWaalsContact CD1-CE1 3.49Å; I179-F300 HydrophobicContact CD1-CE2 4.34Å; I179-F300 HydrophobicContact CD1-CZ 3.34Å; I179-F300 HydrophobicContact CG1-CE1 4.4Å; I179-F300 HydrophobicContact CG1-CZ 3.94Å; L271-F300 HydrophobicContact CD1-CD2 3.63Å; L271-F300 HydrophobicContact CD1-CE2 3.93Å; I272-F300 PolarHBondContact O-N 3.32Å; I273-F300 CarbonylContact C-O 3.5Å; I273-F300 WeakPolarHBondContact CA-O 3.31Å; G274-F300 PolarHBondContact N-O 2.7Å; F300-I371 HydrophobicContact CB-CG2 4.44Å; F300-I371 HydrophobicContact CD1-CG2 3.89Å; F300-F372 CarbonylContact C-O 3.57Å; F300-F372 WeakPolarHBondContact CA-O 3.29Å
301F97.3Very high91.7Very high0 Ų029.3 Ų29.30%016%0.16CC..EExtended strand (participates in β ladder)trans-122.3155.6171.2-65.3-80.4000109.6I198 G274 A277 L279 W285 L289 I292 V299 I371 F372 P374I198-F301 HydrophobicContact CD1-CE1 3.9Å; I198-F301 HydrophobicContact CD1-CZ 4.13Å; I198-F301 HydrophobicContact CG1-CE1 4.31Å; G274-F301 CarbonylContact O-C 3.58Å; G274-F301 VanDerWaalsContact O-CA 3.23Å; G274-F301 WeakPolarHBondContact O-CA 3.48Å; A277-F301 HydrophobicContact CB-CB 4.36Å; A277-F301 HydrophobicContact CB-CD1 3.5Å; A277-F301 VanDerWaalsContact CB-CD1 3.5Å; A277-F301 HydrophobicContact CB-CE1 4.2Å; A277-F301 HydrophobicContact CB-CG 4.28Å; L279-F301 HydrophobicContact CD1-CD2 3.98Å; L279-F301 HydrophobicContact CD1-CE2 4.25Å; L279-F301 HydrophobicContact CD1-CG 4.18Å; L279-F301 HydrophobicContact CD2-CD1 3.95Å; L279-F301 HydrophobicContact CD2-CE1 3.85Å; L279-F301 HydrophobicContact CD2-CE2 4.43Å; L279-F301 HydrophobicContact CD2-CG 4.27Å; L279-F301 HydrophobicContact CD2-CZ 4.09Å; L279-F301 HydrophobicContact CG-CG 4.49Å; W285-F301 HydrophobicContact CH2-CD1 4.48Å; W285-F301 AromaticContact CH2-CE1 3.73Å; W285-F301 HydrophobicContact CH2-CE1 3.73Å; W285-F301 AromaticContact CZ3-CE1 3.66Å; W285-F301 HydrophobicContact CZ3-CE1 3.66Å; W285-F301 HydrophobicContact CZ3-CZ 4.05Å; L289-F301 HydrophobicContact CD2-CE2 3.9Å; L289-F301 HydrophobicContact CD2-CZ 3.89Å; I292-F301 HydrophobicContact CD1-CZ 4.23Å; V299-F301 HydrophobicContact CG1-CE2 4.44Å; V299-F301 HydrophobicContact CG2-CD2 4.06Å; V299-F301 HydrophobicContact CG2-CE1 4.48Å; V299-F301 HydrophobicContact CG2-CE2 3.37Å; V299-F301 HydrophobicContact CG2-CZ 3.63Å; F301-I371 CarbonylContact O-C 3.44Å; F301-I371 WeakPolarHBondContact O-CA 3.22Å; F301-F372 HydrophobicContact CB-CD1 4.26Å; F301-F372 HydrophobicContact CB-CE1 3.69Å; F301-F372 HydrophobicContact CB-CE2 4.17Å; F301-F372 HydrophobicContact CB-CZ 3.64Å; F301-F372 PolarHBondContact N-O 3.29Å; F301-F372 WeakPolarHBondContact O-CD1 3.43Å; F301-F372 PolarHBondContact O-N 2.62Å; F301-P374 HydrophobicContact CD2-CG 3.59Å; F301-P374 HydrophobicContact CE2-CG 3.61Å
302T97.4Very high91.5Very high0 Ų028.7 Ų28.70%016%0.156CC..EExtended strand (participates in β ladder)trans-114.6154.5163.167.50000111.7T167 G274 F275 N276 A277 N368 F370 I371T167-T302 HydrophobicContact CG2-CG2 3.7Å; G274-T302 PolarHBondContact O-N 3.08Å; F275-T302 VanDerWaalsContact CA-OG1 3.31Å; F275-T302 WeakPolarHBondContact CA-OG1 3.28Å; F275-T302 HydrophobicContact CD1-CG2 4.33Å; N276-T302 CarbonylContact C-O 3.6Å; N276-T302 WeakPolarHBondContact CA-O 3.31Å; N276-T302 PolarHBondContact N-O 3.3Å; N276-T302 VanDerWaalsContact N-O 3.1Å; N276-T302 PolarHBondContact N-OG1 3.38Å; A277-T302 PolarHBondContact N-O 3.39Å; T302-N368 HydrophobicContact CG2-CB 4.43Å; T302-N368 PolarHBondContact OG1-OD1 3Å; T302-F370 CarbonylContact C-O 3.52Å; T302-F370 WeakPolarHBondContact CA-O 3.48Å; T302-F370 WeakPolarHBondContact CB-O 3.47Å; T302-I371 HydrophobicContact CG2-CG1 3.73Å
303D94.5Very high91.3Very high7 Ų728.8 Ų28.84%0.03716%0.157CC..EExtended strand (participates in β ladder)trans-144167.7170.7-141.4-55.8000111.5G278 S308 A369 F370 F372G278-D303 WeakPolarHBondContact CA-OD2 3.41Å; G278-D303 PolarHBondContact N-OD2 3.04Å; D303-S308 WeakPolarHBondContact OD1-CB 3.49Å; D303-S308 WeakPolarHBondContact OD2-CB 3.5Å; D303-A369 WeakPolarHBondContact O-CB 3.39Å; D303-A369 PolarHBondContact O-N 3.4Å; D303-F370 PolarHBondContact N-O 3.03Å; D303-F370 PolarHBondContact O-N 3.1Å; D303-F372 HydrophobicContact CB-CE1 4.1Å
304S92.8Very high91.1Very high9 Ų931 Ų316%0.06316%0.161CC..SBendtrans-80.6-24.5-169.960.70000114.8W365 F366 A369S304-W365 WeakPolarHBondContact O-CA 3.4Å; S304-F366 WeakPolarHBondContact CA-O 3.5Å; S304-F366 PolarHBondContact O-N 3.38Å; S304-A369 VanDerWaalsContact O-CB 3.25Å; S304-A369 WeakPolarHBondContact O-CB 3.49Å
305C87.9Confident91.2Very high2 Ų224.1 Ų24.11%0.01413%0.13CC..SBendtrans-153.7161.8178.972.60000111.7Y307 S308 S309 W365C305-Y307 PolarHBondContact O-N 2.84Å; C305-S308 PolarHBondContact O-N 2.97Å; C305-S308 PolarHBondContact SG-OG 3.37Å; C305-S308 VanDerWaalsContact SG-OG 3.33Å; C305-S309 PolarHBondContact O-N 3.1Å; C305-S309 PolarHBondContact O-OG 3.18Å; C305-W365 HydrophobicContact CB-CG 4.22Å
306L85Confident91.2Very high21 Ų2122.8 Ų22.811%0.1112%0.122CC..Hα-helixtrans-58.3-37-178.6-175.153.9000112.5F4 S309 L310 L330 L345 F370F4-L306 HydrophobicContact CD1-CB 3.95Å; F4-L306 HydrophobicContact CD1-CD2 3.88Å; F4-L306 HydrophobicContact CD1-CG 3.93Å; F4-L306 HydrophobicContact CE1-CB 4.19Å; F4-L306 HydrophobicContact CE1-CD2 4.11Å; F4-L306 HydrophobicContact CE1-CG 3.86Å; L306-S309 PolarHBondContact O-N 3.2Å; L306-L310 HydrophobicContact CG-CD1 4.47Å; L306-L310 WeakPolarHBondContact O-CG 3.37Å; L306-L310 PolarHBondContact O-N 3.13Å; L306-L330 HydrophobicContact CD1-CD2 4.13Å; L306-L330 HydrophobicContact CD2-CD2 3.48Å; L306-L330 VanDerWaalsContact CD2-CD2 3.48Å; L306-L330 HydrophobicContact CG-CD2 3.88Å; L306-L345 HydrophobicContact CD1-CD2 3.33Å; L306-L345 HydrophobicContact CD1-CG 4.3Å; L306-F370 HydrophobicContact CB-CE1 4.48Å; L306-F370 HydrophobicContact CB-CE2 4.16Å; L306-F370 HydrophobicContact CB-CZ 4Å; L306-F370 HydrophobicContact CD1-CE1 4.41Å; L306-F370 VanDerWaalsContact N-CE2 3.33Å
307Y84.8Confident91.1Very high94 Ų9421.3 Ų21.337%0.36910%0.103SC..Hα-helixtrans-60.9-47.1177.8-178.7-98.8000112.2F4 C305 L310 W311 W363F4-Y307 AromaticContact CE2-CD2 3.92Å; F4-Y307 HydrophobicContact CE2-CD2 3.92Å; F4-Y307 AromaticContact CZ-CD2 3.98Å; F4-Y307 HydrophobicContact CZ-CD2 3.98Å; C305-Y307 PolarHBondContact O-N 2.84Å; Y307-L310 PolarHBondContact O-N 3.23Å; Y307-W311 AromaticContact CD1-CD1 3.71Å; Y307-W311 AromaticContact CD1-NE1 3.98Å; Y307-W311 AromaticContact CE1-CD1 3.37Å; Y307-W311 AromaticContact CE1-NE1 3.21Å; Y307-W311 AromaticContact CE2-NE1 3.5Å; Y307-W311 AromaticContact CZ-CD1 3.57Å; Y307-W311 AromaticContact CZ-NE1 2.94Å; Y307-W311 VanDerWaalsContact O-CD1 3.32Å; Y307-W311 PolarHBondContact O-N 3.47Å; Y307-W311 VanDerWaalsContact O-N 3.11Å; Y307-W311 PolarHBondContact OH-NE1 2.87Å; Y307-W363 HydrophobicContact CD1-CZ2 4.38Å; Y307-W363 HydrophobicContact CG-CZ2 4.18Å
308S88.8Confident91Very high23 Ų2324.4 Ų24.416%0.16113%0.125CC..Hα-helixtrans-65.8-39.2178.5-57.40000112D303 C305 L310 W311 G312D303-S308 WeakPolarHBondContact OD1-CB 3.49Å; D303-S308 WeakPolarHBondContact OD2-CB 3.5Å; C305-S308 PolarHBondContact O-N 2.97Å; C305-S308 PolarHBondContact SG-OG 3.37Å; C305-S308 VanDerWaalsContact SG-OG 3.33Å; S308-L310 PolarHBondContact O-N 2.74Å; S308-W311 PolarHBondContact O-N 2.78Å; S308-G312 PolarHBondContact O-N 3.4Å
309S89.1Confident90.9Very high0 Ų025.6 Ų25.60%013%0.131CC..Hα-helixtrans-60.5-43.6174.8-52.80000112.3C305 L306 W311 G312 F313C305-S309 PolarHBondContact O-N 3.1Å; C305-S309 PolarHBondContact O-OG 3.18Å; L306-S309 PolarHBondContact O-N 3.2Å; S309-W311 VanDerWaalsContact C-N 3.35Å; S309-W311 PolarHBondContact O-N 3.31Å; S309-G312 WeakPolarHBondContact O-CA 2.99Å; S309-G312 PolarHBondContact O-N 2.92Å; S309-F313 VanDerWaalsContact O-CD2 3.23Å; S309-F313 WeakPolarHBondContact O-CD2 3.42Å; S309-F313 PolarHBondContact O-N 2.98Å; S309-F313 VanDerWaalsContact O-N 3.1Å
310L86.9Confident90.5Very high15 Ų1526.2 Ų26.28%0.07914%0.137CC..Hα-helixtrans-63.2-39.8176.7-70.3171.1000112.4F4 L306 Y307 S308 G312 F313 Q314 I329 L330F4-L310 HydrophobicContact CE1-CD1 3.73Å; F4-L310 HydrophobicContact CZ-CD1 3.87Å; L306-L310 HydrophobicContact CG-CD1 4.47Å; L306-L310 WeakPolarHBondContact O-CG 3.37Å; L306-L310 PolarHBondContact O-N 3.13Å; Y307-L310 PolarHBondContact O-N 3.23Å; S308-L310 PolarHBondContact O-N 2.74Å; L310-G312 VanDerWaalsContact C-N 3.25Å; L310-G312 PolarHBondContact O-N 3.42Å; L310-F313 WeakPolarHBondContact O-CB 3.34Å; L310-F313 PolarHBondContact O-N 3.25Å; L310-F313 VanDerWaalsContact O-N 3.17Å; L310-Q314 PolarHBondContact O-N 2.59Å; L310-I329 HydrophobicContact CD2-CB 4.16Å; L310-I329 HydrophobicContact CD2-CG2 4.39Å; L310-L330 HydrophobicContact CD1-CD1 3.64Å; L310-L330 HydrophobicContact CD1-CD2 3.88Å; L310-L330 HydrophobicContact CD1-CG 3.72Å; L310-L330 HydrophobicContact CD2-CG 4.18Å
311W89.6Confident90.1Very high115 Ų11526.9 Ų26.944%0.43614%0.141SC..Hα-helixtrans-63.1-33.8171.5-84.9112000112.4A280 Y307 S308 S309 F313 Q314 V315A280-W311 HydrophobicContact CB-CB 3.73Å; A280-W311 HydrophobicContact CB-CG 4.42Å; Y307-W311 AromaticContact CD1-CD1 3.71Å; Y307-W311 AromaticContact CD1-NE1 3.98Å; Y307-W311 AromaticContact CE1-CD1 3.37Å; Y307-W311 AromaticContact CE1-NE1 3.21Å; Y307-W311 AromaticContact CE2-NE1 3.5Å; Y307-W311 AromaticContact CZ-CD1 3.57Å; Y307-W311 AromaticContact CZ-NE1 2.94Å; Y307-W311 VanDerWaalsContact O-CD1 3.32Å; Y307-W311 PolarHBondContact O-N 3.47Å; Y307-W311 VanDerWaalsContact O-N 3.11Å; Y307-W311 PolarHBondContact OH-NE1 2.87Å; S308-W311 PolarHBondContact O-N 2.78Å; S309-W311 VanDerWaalsContact C-N 3.35Å; S309-W311 PolarHBondContact O-N 3.31Å; W311-F313 VanDerWaalsContact C-N 3.35Å; W311-F313 PolarHBondContact O-N 2.6Å; W311-Q314 HydrophobicContact CE3-CB 3.97Å; W311-Q314 HydrophobicContact CE3-CG 3.95Å; W311-Q314 HydrophobicContact CZ3-CB 4.47Å; W311-Q314 HydrophobicContact CZ3-CG 3.94Å; W311-Q314 WeakPolarHBondContact O-CB 3.46Å; W311-Q314 PolarHBondContact O-N 2.93Å; W311-Q314 VanDerWaalsContact O-N 3.14Å; W311-V315 WeakPolarHBondContact O-CG2 3.21Å; W311-V315 PolarHBondContact O-N 3.33Å
312G90.9Very high89.5Confident0 Ų027 Ų270%014%0.142CC..Hα-helixtrans-59.8-42.8170.700000113.1S308 S309 L310 Q314 V315 S316S308-G312 PolarHBondContact O-N 3.4Å; S309-G312 WeakPolarHBondContact O-CA 2.99Å; S309-G312 PolarHBondContact O-N 2.92Å; L310-G312 VanDerWaalsContact C-N 3.25Å; L310-G312 PolarHBondContact O-N 3.42Å; G312-Q314 VanDerWaalsContact C-N 3.33Å; G312-V315 PolarHBondContact O-N 3.23Å; G312-S316 PolarHBondContact O-N 3.04Å; G312-S316 VanDerWaalsContact O-N 3.1Å
313F89.8Confident88.6Confident1 Ų128.2 Ų28.20%0.00415%0.15CC..Hα-helixtrans-65-35.2171.5-72.7-74.5000112.9S309 L310 W311 V315 S316 S317 P323 P326 I329 C344 L345 F372 S373S309-F313 VanDerWaalsContact O-CD2 3.23Å; S309-F313 WeakPolarHBondContact O-CD2 3.42Å; S309-F313 PolarHBondContact O-N 2.98Å; S309-F313 VanDerWaalsContact O-N 3.1Å; L310-F313 WeakPolarHBondContact O-CB 3.34Å; L310-F313 PolarHBondContact O-N 3.25Å; L310-F313 VanDerWaalsContact O-N 3.17Å; W311-F313 VanDerWaalsContact C-N 3.35Å; W311-F313 PolarHBondContact O-N 2.6Å; F313-V315 VanDerWaalsContact C-N 3.34Å; F313-S316 PolarHBondContact O-N 2.94Å; F313-S316 PolarHBondContact O-OG 3.41Å; F313-S316 VanDerWaalsContact O-OG 3.07Å; F313-S317 WeakPolarHBondContact O-CB 3.27Å; F313-S317 PolarHBondContact O-N 3.23Å; F313-P323 HydrophobicContact CB-CG 4.3Å; F313-P323 HydrophobicContact CD1-CG 3.71Å; F313-P323 HydrophobicContact CE1-CG 4.42Å; F313-P323 HydrophobicContact CG-CG 4.34Å; F313-P326 HydrophobicContact CB-CB 3.92Å; F313-P326 HydrophobicContact CB-CG 4.41Å; F313-I329 HydrophobicContact CB-CD1 3.91Å; F313-I329 HydrophobicContact CD1-CD1 3.62Å; F313-I329 HydrophobicContact CD2-CD1 3.46Å; F313-I329 VanDerWaalsContact CD2-CD1 3.46Å; F313-I329 HydrophobicContact CE1-CD1 3.88Å; F313-I329 HydrophobicContact CE2-CD1 3.76Å; F313-I329 HydrophobicContact CG-CD1 3.39Å; F313-I329 HydrophobicContact CZ-CD1 3.95Å; F313-C344 HydrophobicContact CE1-CB 3.86Å; F313-C344 HydrophobicContact CZ-CB 3.79Å; F313-L345 HydrophobicContact CE2-CB 4.09Å; F313-L345 HydrophobicContact CE2-CD2 4.28Å; F313-L345 HydrophobicContact CZ-CB 4.29Å; F313-F372 HydrophobicContact CD2-CD2 4.29Å; F313-F372 HydrophobicContact CE1-CD2 4.44Å; F313-F372 HydrophobicContact CE2-CB 3.96Å; F313-F372 AromaticContact CE2-CD2 3.78Å; F313-F372 HydrophobicContact CE2-CD2 3.78Å; F313-F372 HydrophobicContact CE2-CG 4.13Å; F313-F372 HydrophobicContact CZ-CB 3.84Å; F313-F372 AromaticContact CZ-CD2 3.88Å; F313-F372 HydrophobicContact CZ-CD2 3.88Å; F313-F372 HydrophobicContact CZ-CG 4.29Å; F313-S373 VanDerWaalsContact CE1-O 3.22Å; F313-S373 WeakPolarHBondContact CE1-O 3.42Å
314Q89.5Confident87.7Confident82 Ų8231.5 Ų31.538%0.38317%0.173SC..Hα-helixtrans-63.7-41.2175.2-17465.115.700111.5L310 W311 G312 S317 S318L310-Q314 PolarHBondContact O-N 2.59Å; W311-Q314 HydrophobicContact CE3-CB 3.97Å; W311-Q314 HydrophobicContact CE3-CG 3.95Å; W311-Q314 HydrophobicContact CZ3-CB 4.47Å; W311-Q314 HydrophobicContact CZ3-CG 3.94Å; W311-Q314 WeakPolarHBondContact O-CB 3.46Å; W311-Q314 PolarHBondContact O-N 2.93Å; W311-Q314 VanDerWaalsContact O-N 3.14Å; G312-Q314 VanDerWaalsContact C-N 3.33Å; Q314-S317 PolarHBondContact O-N 3.44Å; Q314-S318 WeakPolarHBondContact O-CB 3.48Å; Q314-S318 PolarHBondContact O-N 2.85Å
315V92.1Very high86.8Confident20 Ų2038.8 Ų38.812%0.12120%0.204CC..Hα-helixtrans-62.4-50.6175.3175.50000110.3A280 L289 W311 G312 F313 S317 S318 L319A280-V315 HydrophobicContact CB-CG2 3.85Å; L289-V315 HydrophobicContact CD1-CG1 3.75Å; W311-V315 WeakPolarHBondContact O-CG2 3.21Å; W311-V315 PolarHBondContact O-N 3.33Å; G312-V315 PolarHBondContact O-N 3.23Å; F313-V315 VanDerWaalsContact C-N 3.34Å; V315-S317 VanDerWaalsContact C-N 3.33Å; V315-S317 PolarHBondContact O-N 2.88Å; V315-S318 PolarHBondContact O-N 2.96Å; V315-S318 PolarHBondContact O-OG 2.74Å; V315-L319 HydrophobicContact CG1-CD1 4.43Å; V315-L319 WeakPolarHBondContact O-CG 3.31Å; V315-L319 PolarHBondContact O-N 3.37Å
316S91.2Very high85.8Confident0 Ų039 Ų390%021%0.205CC..Hα-helixtrans-65-35.9179.364.10000113G312 F313 L319 G320 L321 G322 P374G312-S316 PolarHBondContact O-N 3.04Å; G312-S316 VanDerWaalsContact O-N 3.1Å; F313-S316 PolarHBondContact O-N 2.94Å; F313-S316 PolarHBondContact O-OG 3.41Å; F313-S316 VanDerWaalsContact O-OG 3.07Å; S316-L319 PolarHBondContact O-N 3.47Å; S316-G320 PolarHBondContact O-N 2.69Å; S316-L321 PolarHBondContact O-N 3.33Å; S316-G322 PolarHBondContact O-N 3.19Å; S316-G322 VanDerWaalsContact O-N 3.07Å; S316-G322 WeakPolarHBondContact OG-CA 3.39Å; S316-P374 WeakPolarHBondContact CB-O 3.36Å; S316-P374 PolarHBondContact OG-O 3.37Å
317S89Confident85Confident26 Ų2643.4 Ų43.418%0.18223%0.229CC..Hα-helixtrans-63-41.5174.4-169.90000112.1F313 Q314 V315 L319 G320 P323F313-S317 WeakPolarHBondContact O-CB 3.27Å; F313-S317 PolarHBondContact O-N 3.23Å; Q314-S317 PolarHBondContact O-N 3.44Å; V315-S317 VanDerWaalsContact C-N 3.33Å; V315-S317 PolarHBondContact O-N 2.88Å; S317-L319 PolarHBondContact O-N 3.19Å; S317-L319 VanDerWaalsContact O-N 3.15Å; S317-G320 PolarHBondContact O-N 2.92Å; S317-P323 VanDerWaalsContact CB-O 3.22Å; S317-P323 WeakPolarHBondContact CB-O 3.13Å; S317-P323 PolarHBondContact OG-O 3.38Å
318S89.8Confident84.1Confident79 Ų7940.8 Ų40.855%0.55223%0.226SC*.Hα-helixtrans-62.2-22176.876.20000113.6Q314 V315Q314-S318 WeakPolarHBondContact O-CB 3.48Å; Q314-S318 PolarHBondContact O-N 2.85Å; V315-S318 PolarHBondContact O-N 2.96Å; V315-S318 PolarHBondContact O-OG 2.74Å
319L90.7Very high83.2Confident41 Ų4140.9 Ų40.922%0.21523%0.225CC..THydrogen-bonded Turntrans-94.21.5176-57.6168.7000112.9P286 L289 V315 S316 S317 L321P286-L319 HydrophobicContact CB-CD1 4.24Å; P286-L319 HydrophobicContact CB-CD2 4.12Å; L289-L319 HydrophobicContact CB-CD1 3.95Å; L289-L319 HydrophobicContact CD1-CD1 4.09Å; V315-L319 HydrophobicContact CG1-CD1 4.43Å; V315-L319 WeakPolarHBondContact O-CG 3.31Å; V315-L319 PolarHBondContact O-N 3.37Å; S316-L319 PolarHBondContact O-N 3.47Å; S317-L319 PolarHBondContact O-N 3.19Å; S317-L319 VanDerWaalsContact O-N 3.15Å; L319-L321 HydrophobicContact CB-CD1 3.94Å; L319-L321 HydrophobicContact CB-CG 3.94Å; L319-L321 HydrophobicContact CD1-CD1 4.24Å; L319-L321 PolarHBondContact O-N 3.07Å
320G87.3Confident81.9Confident15 Ų1543.4 Ų43.416%0.15524%0.238CC..THydrogen-bonded Turntrans72.39.6-174.700000114.7S316 S317S316-G320 PolarHBondContact O-N 2.69Å; S317-G320 PolarHBondContact O-N 2.92Å
321L88.1Confident80.4Confident15 Ų1551 Ų518%0.07927%0.267CS..SBendtrans-93.5-26.7-176.1-58.6176.2000112.9L289 A293 S316 L319 F375 Y376 M391L289-L321 HydrophobicContact CB-CD1 4.2Å; A293-L321 HydrophobicContact CB-CD1 3.91Å; A293-L321 HydrophobicContact CB-CD2 3.48Å; A293-L321 VanDerWaalsContact CB-CD2 3.48Å; A293-L321 HydrophobicContact CB-CG 4.29Å; S316-L321 PolarHBondContact O-N 3.33Å; L319-L321 HydrophobicContact CB-CD1 3.94Å; L319-L321 HydrophobicContact CB-CG 3.94Å; L319-L321 HydrophobicContact CD1-CD1 4.24Å; L319-L321 PolarHBondContact O-N 3.07Å; L321-F375 HydrophobicContact CB-CD1 3.76Å; L321-F375 HydrophobicContact CB-CE1 3.84Å; L321-F375 HydrophobicContact CD1-CE1 3.79Å; L321-F375 HydrophobicContact CD1-CZ 4.18Å; L321-F375 HydrophobicContact CG-CE1 4.42Å; L321-F375 WeakPolarHBondContact O-CA 3.24Å; L321-Y376 PolarHBondContact O-N 3.36Å; L321-M391 HydrophobicContact CD2-CE 3.49Å; L321-M391 VanDerWaalsContact CD2-CE 3.49Å; L321-M391 HydrophobicContact CD2-SD 4.5Å
322G84.4Confident78.5Confident2 Ų250.7 Ų50.72%0.02127%0.274CS..SBendtrans-111.8-176-174.300000114.6S316 S324 P374 Y376S316-G322 PolarHBondContact O-N 3.19Å; S316-G322 VanDerWaalsContact O-N 3.07Å; S316-G322 WeakPolarHBondContact OG-CA 3.39Å; G322-S324 PolarHBondContact O-N 3.23Å; G322-P374 VanDerWaalsContact CA-O 3.22Å; G322-P374 WeakPolarHBondContact CA-O 3.36Å; G322-Y376 WeakPolarHBondContact O-CE2 3.17Å; G322-Y376 PolarHBondContact O-OH 2.95Å
323P79.1Confident76.2Confident25 Ų2556.6 Ų56.616%0.16231%0.306CS..  trans-59.6134.3-175.221.9-29.5000112.5F313 S317 K325 P326 I329 Y376F313-P323 HydrophobicContact CB-CG 4.3Å; F313-P323 HydrophobicContact CD1-CG 3.71Å; F313-P323 HydrophobicContact CE1-CG 4.42Å; F313-P323 HydrophobicContact CG-CG 4.34Å; S317-P323 VanDerWaalsContact CB-O 3.22Å; S317-P323 WeakPolarHBondContact CB-O 3.13Å; S317-P323 PolarHBondContact OG-O 3.38Å; P323-K325 PolarHBondContact O-N 3.12Å; P323-K325 VanDerWaalsContact O-N 3.12Å; P323-P326 WeakPolarHBondContact O-CD 3.48Å; P323-P326 WeakPolarHBondContact O-CG 3.49Å; P323-I329 HydrophobicContact CG-CD1 3.85Å; P323-Y376 VanDerWaalsContact CA-CZ 3.5Å; P323-Y376 WeakPolarHBondContact CA-OH 3.45Å; P323-Y376 HydrophobicContact CB-CE1 4.32Å
324S74.1Confident73.8Confident76 Ų7661.5 Ų61.553%0.53133%0.325SS..SBendtrans-63.2-19.1179.3-43.70000113.9G322 Y376G322-S324 PolarHBondContact O-N 3.23Å; S324-Y376 PolarHBondContact N-OH 2.67Å; S324-Y376 PolarHBondContact OG-OH 2.81Å
325K74Confident71.4Confident162 Ų16260.2 Ų60.270%0.70432%0.32SS*.  trans-134.482.2175-65.5-172.8-179.9-177.80109.9P323 D327 A328P323-K325 PolarHBondContact O-N 3.12Å; P323-K325 VanDerWaalsContact O-N 3.12Å; K325-D327 PolarHBondContact O-N 3.22Å; K325-A328 HydrophobicContact CB-CB 4.16Å; K325-A328 WeakPolarHBondContact O-CB 3.45Å; K325-A328 PolarHBondContact O-N 2.99Å
326P67.4Low68.9Low7 Ų766.3 Ų66.35%0.04535%0.347CS..G310 helixtrans-56.6-33.7179.8-2939.8000113.4F313 P323 A328 I329F313-P326 HydrophobicContact CB-CB 3.92Å; F313-P326 HydrophobicContact CB-CG 4.41Å; P323-P326 WeakPolarHBondContact O-CD 3.48Å; P323-P326 WeakPolarHBondContact O-CG 3.49Å; P326-A328 PolarHBondContact O-N 3Å; P326-I329 VanDerWaalsContact O-CB 3.29Å; P326-I329 WeakPolarHBondContact O-CB 3.25Å; P326-I329 WeakPolarHBondContact O-CD1 3.39Å; P326-I329 WeakPolarHBondContact O-CG1 3.22Å; P326-I329 PolarHBondContact O-N 3.13Å; P326-I329 VanDerWaalsContact O-N 3.12Å
327D67.5Low66.3Low114 Ų11471.8 Ų71.861%0.6138%0.381SS*.G310 helixtrans-62.3-24.2178-61.9-36.1000113.6K325 I329 L330 Y331K325-D327 PolarHBondContact O-N 3.22Å; D327-I329 PolarHBondContact O-N 3.2Å; D327-L330 PolarHBondContact O-N 3.07Å; D327-Y331 VanDerWaalsContact O-CD2 3.31Å; D327-Y331 WeakPolarHBondContact O-CD2 3.23Å
328A67.7Low63.7Low38 Ų3874.3 Ų74.331%0.31439%0.393SS..G310 helixtrans-67.3-22178.100000112.6K325 P326 L330 Y331 D332K325-A328 HydrophobicContact CB-CB 4.16Å; K325-A328 WeakPolarHBondContact O-CB 3.45Å; K325-A328 PolarHBondContact O-N 2.99Å; P326-A328 PolarHBondContact O-N 3Å; A328-L330 PolarHBondContact O-N 3.4Å; A328-Y331 PolarHBondContact O-N 3.43Å; A328-D332 PolarHBondContact O-N 2.59Å
329I68.3Low61.3Low25 Ų2578.3 Ų78.313%0.12841%0.408CS..G310 helixtrans-61.8-27.8-179.8-59.7169.2000111.7L310 F313 P323 P326 D327 Y331 L345L310-I329 HydrophobicContact CD2-CB 4.16Å; L310-I329 HydrophobicContact CD2-CG2 4.39Å; F313-I329 HydrophobicContact CB-CD1 3.91Å; F313-I329 HydrophobicContact CD1-CD1 3.62Å; F313-I329 HydrophobicContact CD2-CD1 3.46Å; F313-I329 VanDerWaalsContact CD2-CD1 3.46Å; F313-I329 HydrophobicContact CE1-CD1 3.88Å; F313-I329 HydrophobicContact CE2-CD1 3.76Å; F313-I329 HydrophobicContact CG-CD1 3.39Å; F313-I329 HydrophobicContact CZ-CD1 3.95Å; P323-I329 HydrophobicContact CG-CD1 3.85Å; P326-I329 VanDerWaalsContact O-CB 3.29Å; P326-I329 WeakPolarHBondContact O-CB 3.25Å; P326-I329 WeakPolarHBondContact O-CD1 3.39Å; P326-I329 WeakPolarHBondContact O-CG1 3.22Å; P326-I329 PolarHBondContact O-N 3.13Å; P326-I329 VanDerWaalsContact O-N 3.12Å; D327-I329 PolarHBondContact O-N 3.2Å; I329-Y331 VanDerWaalsContact C-N 3.32Å; I329-L345 HydrophobicContact CG2-CB 4.16Å; I329-L345 HydrophobicContact CG2-CD2 3.95Å
330L62.9Low58.8Low53 Ų5380.6 Ų80.628%0.27743%0.427SS..G310 helixtrans-74.4-23.1174.8-73.4179.8000113.5F4 L306 L310 D327 A328F4-L330 HydrophobicContact CE1-CD1 4.28Å; F4-L330 HydrophobicContact CE1-CD2 4.45Å; F4-L330 HydrophobicContact CZ-CD1 4.32Å; L306-L330 HydrophobicContact CD1-CD2 4.13Å; L306-L330 HydrophobicContact CD2-CD2 3.48Å; L306-L330 VanDerWaalsContact CD2-CD2 3.48Å; L306-L330 HydrophobicContact CG-CD2 3.88Å; L310-L330 HydrophobicContact CD1-CD1 3.64Å; L310-L330 HydrophobicContact CD1-CD2 3.88Å; L310-L330 HydrophobicContact CD1-CG 3.72Å; L310-L330 HydrophobicContact CD2-CG 4.18Å; D327-L330 PolarHBondContact O-N 3.07Å; A328-L330 PolarHBondContact O-N 3.4Å
331Y54Low56.5Low175 Ų17583.4 Ų83.469%0.68644%0.439SS*.THydrogen-bonded Turntrans-105-18.1-173.9-60.2-71.3000113.3D327 A328 I329 D333D327-Y331 VanDerWaalsContact O-CD2 3.31Å; D327-Y331 WeakPolarHBondContact O-CD2 3.23Å; A328-Y331 PolarHBondContact O-N 3.43Å; I329-Y331 VanDerWaalsContact C-N 3.32Å; Y331-D333 VanDerWaalsContact C-N 3.3Å; Y331-D333 PolarHBondContact O-N 3.23Å
332D51.1Low54.6Low109 Ų10989.7 Ų89.758%0.58347%0.468SS*.SBendtrans-60.9102.2161.5-82.7-18.6000106.2A328 Y334A328-D332 PolarHBondContact O-N 2.59Å; D332-Y334 PolarHBondContact O-N 3.36Å; D332-Y334 VanDerWaalsContact O-N 3.11Å
333D41.3Very low53.3Low124 Ų12491 Ų9166%0.66348%0.477SS*.  trans-41.7118.5-169.3-137.1-13.3000109.8Y331 D335 N341Y331-D333 VanDerWaalsContact C-N 3.3Å; Y331-D333 PolarHBondContact O-N 3.23Å; D333-D335 PolarHBondContact O-N 2.97Å; D333-N341 PolarHBondContact O-ND2 3.46Å
334Y39.8Very low53.1Low104 Ų10491.3 Ų91.341%0.40848%0.479SS..  trans-70.658.4169.6-166.3-93.7000108F7 D332 Q336 L347F7-Y334 HydrophobicContact CE2-CD1 4.2Å; F7-Y334 AromaticContact CE2-CE1 3.96Å; F7-Y334 HydrophobicContact CE2-CE1 3.96Å; F7-Y334 HydrophobicContact CE2-CE2 4.39Å; F7-Y334 HydrophobicContact CZ-CE1 4.12Å; F7-Y334 HydrophobicContact CZ-CE2 4.3Å; F7-Y334 AromaticContact CZ-CZ 3.86Å; D332-Y334 PolarHBondContact O-N 3.36Å; D332-Y334 VanDerWaalsContact O-N 3.11Å; Y334-Q336 HydrophobicContact CD1-CG 3.99Å; Y334-Q336 HydrophobicContact CE1-CG 3.66Å; Y334-Q336 PolarHBondContact O-N 2.94Å; Y334-L347 VanDerWaalsContact OH-CB 3.24Å; Y334-L347 WeakPolarHBondContact OH-CB 3.4Å
335D39.3Very low53.6Low54 Ų5488.2 Ų88.229%0.28946%0.456SS..  trans-78.398.8171.8-173.31.3000107D333 T337 N338D333-D335 PolarHBondContact O-N 2.97Å; D335-T337 PolarHBondContact O-N 2.93Å; D335-T337 VanDerWaalsContact OD1-CB 3.31Å; D335-T337 WeakPolarHBondContact OD1-CB 3.48Å; D335-T337 PolarHBondContact OD1-N 3.46Å; D335-T337 PolarHBondContact OD1-OG1 3.06Å; D335-T337 PolarHBondContact OD2-OG1 3.01Å; D335-N338 HydrophobicContact CB-CB 4.29Å; D335-N338 PolarHBondContact O-N 3.27Å; D335-N338 PolarHBondContact OD2-ND2 2.78Å
336Q39.5Very low54.2Low148 Ų14882.3 Ų82.369%0.69243%0.431SS*.THydrogen-bonded Turntrans-56.8-12.7173.5-67.2-178.818.600112.6Y334Y334-Q336 HydrophobicContact CD1-CG 3.99Å; Y334-Q336 HydrophobicContact CE1-CG 3.66Å; Y334-Q336 PolarHBondContact O-N 2.94Å
337T36.6Very low55.4Low116 Ų11683.5 Ų83.571%0.71244%0.436SS*.THydrogen-bonded Turntrans-98-12.2-176760000114.4D335D335-T337 PolarHBondContact O-N 2.93Å; D335-T337 VanDerWaalsContact OD1-CB 3.31Å; D335-T337 WeakPolarHBondContact OD1-CB 3.48Å; D335-T337 PolarHBondContact OD1-N 3.46Å; D335-T337 PolarHBondContact OD1-OG1 3.06Å; D335-T337 PolarHBondContact OD2-OG1 3.01Å
338N33.9Very low56.7Low79 Ų7978 Ų7842%0.42241%0.407SS..  trans-103.493.2179.4-92.1-44.3000111.3D335 S340 N341D335-N338 HydrophobicContact CB-CB 4.29Å; D335-N338 PolarHBondContact O-N 3.27Å; D335-N338 PolarHBondContact OD2-ND2 2.78Å; N338-S340 PolarHBondContact O-N 2.91Å; N338-N341 PolarHBondContact O-N 3.17Å
339D39.7Very low58.1Low163 Ų16377.5 Ų77.587%0.87240%0.401SS*.THydrogen-bonded Turntrans-57.9-10.8169.1-88.1-26.2000113.7
340S38.3Very low59.5Low89 Ų8976.3 Ų76.362%0.62239%0.394SS*.THydrogen-bonded Turntrans-87-16.9179.760.90000114.3N338 Q342N338-S340 PolarHBondContact O-N 2.91Å; S340-Q342 PolarHBondContact O-N 3.04Å
341N39Very low61.1Low74 Ų7474.1 Ų74.140%0.39638%0.383SS..  trans-76.7107.5174.8-84.1-4.2000108.8D333 N338 S343D333-N341 PolarHBondContact O-ND2 3.46Å; N338-N341 PolarHBondContact O-N 3.17Å; N341-S343 PolarHBondContact O-N 3.25Å
342Q48.7Very low63.1Low147 Ų14766 Ų6669%0.68735%0.351SS*.  trans-66.548.4171.9-66.2-179.3-23.400111.9S340 C344S340-Q342 PolarHBondContact O-N 3.04Å; Q342-C344 PolarHBondContact O-N 2.99Å; Q342-C344 VanDerWaalsContact O-N 3.08Å
343S56.4Low65.2Low30 Ų3060.8 Ų60.821%0.2132%0.323CS..  trans-58.1120.8171.5177.70000107.4N341 L345 F346N341-S343 PolarHBondContact O-N 3.25Å; S343-L345 PolarHBondContact O-N 3.5Å; S343-L345 PolarHBondContact OG-N 2.79Å; S343-L345 PolarHBondContact OG-O 2.92Å; S343-F346 VanDerWaalsContact O-CE1 3.3Å; S343-F346 WeakPolarHBondContact O-CE1 3.33Å; S343-F346 VanDerWaalsContact O-CE2 3.23Å; S343-F346 WeakPolarHBondContact O-CE2 3.49Å; S343-F346 WeakPolarHBondContact O-CZ 3.12Å
344C75.3Confident67.7Low31 Ų3155.3 Ų55.321%0.20929%0.294CS..SBendtrans-78.26176.7-65.60000111.9F313 Q342 F372 S373F313-C344 HydrophobicContact CE1-CB 3.86Å; F313-C344 HydrophobicContact CZ-CB 3.79Å; Q342-C344 PolarHBondContact O-N 2.99Å; Q342-C344 VanDerWaalsContact O-N 3.08Å; C344-F372 CarbonylContact O-C 3.59Å; C344-F372 WeakPolarHBondContact O-CA 3.36Å; C344-F372 WeakPolarHBondContact O-CB 3.42Å; C344-S373 WeakPolarHBondContact CB-O 3.31Å; C344-S373 PolarHBondContact O-N 3.4Å
345L84.8Confident70.2Confident10 Ų1051.6 Ų51.65%0.05228%0.279CS..EExtended strand (participates in β ladder)trans-137.8126.9-172.1176.860.3000110.9L306 F313 I329 S343 F370 I371 F372L306-L345 HydrophobicContact CD1-CD2 3.33Å; L306-L345 HydrophobicContact CD1-CG 4.3Å; F313-L345 HydrophobicContact CE2-CB 4.09Å; F313-L345 HydrophobicContact CE2-CD2 4.28Å; F313-L345 HydrophobicContact CZ-CB 4.29Å; I329-L345 HydrophobicContact CG2-CB 4.16Å; I329-L345 HydrophobicContact CG2-CD2 3.95Å; S343-L345 PolarHBondContact O-N 3.5Å; S343-L345 PolarHBondContact OG-N 2.79Å; S343-L345 PolarHBondContact OG-O 2.92Å; L345-F370 HydrophobicContact CD1-CB 3.83Å; L345-F370 HydrophobicContact CD1-CD1 4.18Å; L345-F370 HydrophobicContact CD1-CG 4.32Å; L345-I371 CarbonylContact C-O 3.5Å; L345-I371 WeakPolarHBondContact CA-O 3.47Å; L345-F372 HydrophobicContact CB-CB 4.28Å; L345-F372 HydrophobicContact CD1-CB 3.73Å; L345-F372 HydrophobicContact CD1-CD1 4.44Å; L345-F372 HydrophobicContact CD1-CG 4.33Å
346F87.1Confident72.6Confident39 Ų3952.1 Ų52.117%0.17128%0.281CS..EExtended strand (participates in β ladder)trans-135.2145.2-172.4-51.7-82.8000111.1K175 S343 N348 F370 I371K175-F346 HydrophobicContact CD-CD2 3.97Å; K175-F346 HydrophobicContact CD-CE2 3.9Å; K175-F346 HydrophobicContact CD-CG 4.36Å; K175-F346 HydrophobicContact CD-CZ 4.21Å; K175-F346 VanDerWaalsContact NZ-CG 3.35Å; S343-F346 VanDerWaalsContact O-CE1 3.3Å; S343-F346 WeakPolarHBondContact O-CE1 3.33Å; S343-F346 VanDerWaalsContact O-CE2 3.23Å; S343-F346 WeakPolarHBondContact O-CE2 3.49Å; S343-F346 WeakPolarHBondContact O-CZ 3.12Å; F346-N348 PolarHBondContact O-N 3.31Å; F346-F370 CarbonylContact O-C 3.55Å; F346-F370 VanDerWaalsContact O-CA 3.24Å; F346-F370 WeakPolarHBondContact O-CA 3.24Å; F346-I371 PolarHBondContact N-O 2.94Å; F346-I371 PolarHBondContact O-N 3.02Å
347L91.5Very high74.6Confident31 Ų3150.5 Ų50.516%0.16227%0.274CS..EExtended strand (participates in β ladder)trans-67.6129.3163.2178.564000109.2F7 V10 L11 Y334 P349 A369 F370F7-L347 HydrophobicContact CE1-CD1 4.26Å; F7-L347 HydrophobicContact CZ-CB 4.47Å; V10-L347 HydrophobicContact CG1-CD2 3.75Å; L11-L347 HydrophobicContact CD2-CD1 3.51Å; Y334-L347 VanDerWaalsContact OH-CB 3.24Å; Y334-L347 WeakPolarHBondContact OH-CB 3.4Å; L347-P349 WeakPolarHBondContact O-CD 3.46Å; L347-A369 WeakPolarHBondContact CD1-O 3.49Å; L347-F370 HydrophobicContact CD1-CE1 4.43Å
348N95.6Very high76.4Confident0 Ų046.1 Ų46.10%025%0.25CC..  trans-79119.7174.4-176.78000110.1T167 F346 F350 R351 N368 A369 I371T167-N348 PolarHBondContact OG1-ND2 3.26Å; F346-N348 PolarHBondContact O-N 3.31Å; N348-F350 PolarHBondContact O-N 3.49Å; N348-F350 PolarHBondContact OD1-N 2.84Å; N348-R351 HydrophobicContact CB-CB 4.21Å; N348-R351 WeakPolarHBondContact O-CG 3.36Å; N348-R351 PolarHBondContact O-N 3.22Å; N348-R351 PolarHBondContact O-NH1 2.89Å; N348-N368 WeakPolarHBondContact CB-O 3.05Å; N348-N368 PolarHBondContact ND2-O 3.37Å; N348-A369 WeakPolarHBondContact CB-O 3.36Å; N348-A369 PolarHBondContact N-O 3.42Å; N348-I371 HydrophobicContact CB-CD1 3.8Å; N348-I371 HydrophobicContact CB-CG1 3.98Å
349P96.1Very high78.1Confident26 Ų2648.8 Ų48.817%0.16927%0.271CS..THydrogen-bonded Turntrans-68.3-24.7176.228.6-34.3000112.3R135 D136 W137 L347R135-P349 WeakPolarHBondContact O-CB 3.49Å; R135-P349 VanDerWaalsContact O-CG 3.28Å; R135-P349 WeakPolarHBondContact O-CG 3.46Å; D136-P349 HydrophobicContact CB-CB 4.25Å; W137-P349 PolarHBondContact NE1-O 3.07Å; L347-P349 WeakPolarHBondContact O-CD 3.46Å
350F97.8Very high79.5Confident0 Ų045.2 Ų45.20%027%0.273CS..THydrogen-bonded Turntrans-99.326.3178.2-60.2-74000113.1L134 D136 W137 H163 L166 Y169 H170 N348L134-F350 HydrophobicContact CB-CZ 3.83Å; D136-F350 WeakPolarHBondContact O-CE1 3.06Å; D136-F350 WeakPolarHBondContact O-CZ 3.42Å; W137-F350 AromaticContact CD2-CD1 4Å; W137-F350 HydrophobicContact CD2-CD1 4Å; W137-F350 HydrophobicContact CE3-CD1 4.14Å; W137-F350 HydrophobicContact CG-CD1 4.41Å; W137-F350 HydrophobicContact CZ2-CB 4.22Å; W137-F350 HydrophobicContact CZ2-CD1 4.48Å; W137-F350 WeakPolarHBondContact CZ2-O 3.18Å; W137-F350 HydrophobicContact CZ3-CD1 4.46Å; H163-F350 WeakPolarHBondContact CB-O 3.32Å; L166-F350 HydrophobicContact CB-CB 3.81Å; L166-F350 HydrophobicContact CB-CD1 3.77Å; L166-F350 HydrophobicContact CB-CD2 4.26Å; L166-F350 HydrophobicContact CB-CE1 4.4Å; L166-F350 HydrophobicContact CB-CG 3.68Å; L166-F350 HydrophobicContact CD1-CD1 3.54Å; L166-F350 HydrophobicContact CD1-CE1 3.8Å; L166-F350 HydrophobicContact CD1-CG 4.33Å; L166-F350 HydrophobicContact CG-CD1 4.29Å; Y169-F350 HydrophobicContact CD1-CE2 4.43Å; Y169-F350 HydrophobicContact CE1-CE2 4.45Å; H170-F350 HydrophobicContact CB-CD2 3.79Å; H170-F350 HydrophobicContact CB-CE2 4.06Å; H170-F350 AromaticContact ND1-CE2 3.95Å; N348-F350 PolarHBondContact O-N 3.49Å; N348-F350 PolarHBondContact OD1-N 2.84Å
351R96.8Very high81Confident8 Ų843.1 Ų43.13%0.0326%0.256CS..  trans-63.5157.9174.967.5-171.4175.5-72.7-3.6111.9V10 L11 K13 L14 W137 N348 N368V10-R351 PolarHBondContact O-NH2 3.37Å; L11-R351 PolarHBondContact O-NE 3.36Å; L11-R351 PolarHBondContact O-NH2 2.92Å; K13-R351 PolarHBondContact O-NH2 3Å; L14-R351 HydrophobicContact CD2-CG 4.46Å; W137-R351 PolarHBondContact NE1-O 3.03Å; W137-R351 VanDerWaalsContact NE1-O 3.08Å; N348-R351 HydrophobicContact CB-CB 4.21Å; N348-R351 WeakPolarHBondContact O-CG 3.36Å; N348-R351 PolarHBondContact O-N 3.22Å; N348-R351 PolarHBondContact O-NH1 2.89Å; R351-N368 VanDerWaalsContact CB-O 3.27Å; R351-N368 WeakPolarHBondContact CB-O 3.27Å
352S96.5Very high82.6Confident3 Ų349.6 Ų49.62%0.02128%0.275CS..  trans-62.2133.4173.8-179.90000110.5I354 S367S352-I354 PolarHBondContact O-N 3.46Å; S352-I354 PolarHBondContact OG-N 2.9Å; S352-S367 WeakPolarHBondContact CB-O 3.46Å; S352-S367 PolarHBondContact N-O 3.25Å
353P95.5Very high83.8Confident0 Ų044.4 Ų44.40%025%0.249CC..SBendtrans-80.413.117835.3-38.4000113.6L14 F16 F18 T22 T23 A159 L160L14-P353 HydrophobicContact CD1-CB 3.7Å; F16-P353 HydrophobicContact CD2-CB 3.61Å; F16-P353 HydrophobicContact CD2-CG 4.14Å; F16-P353 HydrophobicContact CE2-CB 3.78Å; F16-P353 HydrophobicContact CE2-CG 4.05Å; F18-P353 HydrophobicContact CE2-CB 3.94Å; F18-P353 HydrophobicContact CE2-CG 3.75Å; F18-P353 HydrophobicContact CZ-CG 4.24Å; T22-P353 WeakPolarHBondContact CB-O 3.11Å; T22-P353 PolarHBondContact OG1-O 3.41Å; T23-P353 WeakPolarHBondContact CG2-O 3.4Å; A159-P353 HydrophobicContact CB-CG 4.27Å; L160-P353 HydrophobicContact CD1-CG 3.43Å; L160-P353 VanDerWaalsContact CD1-CG 3.43Å; L160-P353 HydrophobicContact CG-CG 4.41Å
354I94.1Very high85Confident10 Ų1043.1 Ų43.15%0.05124%0.24CC..SBendtrans-111.7122.1-176-55.1-53.4000110.1T22 F27 L32 F51 L160 S352 F366T22-I354 HydrophobicContact CG2-CD1 3.53Å; F27-I354 HydrophobicContact CE1-CG2 3.87Å; F27-I354 HydrophobicContact CZ-CG2 3.62Å; L32-I354 HydrophobicContact CD1-CD1 3.82Å; L32-I354 HydrophobicContact CD1-CG1 4.33Å; L32-I354 HydrophobicContact CD2-CG2 4.17Å; F51-I354 HydrophobicContact CE1-CB 4.46Å; F51-I354 HydrophobicContact CE1-CG1 4.23Å; F51-I354 HydrophobicContact CE1-CG2 4.28Å; F51-I354 HydrophobicContact CZ-CG1 4.04Å; L160-I354 HydrophobicContact CD1-CD1 4.04Å; L160-I354 HydrophobicContact CD1-CG1 4.12Å; L160-I354 HydrophobicContact CD2-CD1 3.95Å; L160-I354 HydrophobicContact CD2-CG1 3.96Å; L160-I354 HydrophobicContact CG-CD1 4Å; L160-I354 HydrophobicContact CG-CG1 3.68Å; S352-I354 PolarHBondContact O-N 3.46Å; S352-I354 PolarHBondContact OG-N 2.9Å; I354-F366 VanDerWaalsContact O-CD1 3.31Å; I354-F366 WeakPolarHBondContact O-CD1 3.26Å
355R92.6Very high85.7Confident26 Ų2644.8 Ų44.810%0.09824%0.242CC..BIsolated β-bridgetrans-65.7132.7172.6-174.9178.8-172.2130.31.2109.5E8 T22 T23 A24 F27 W365 F366E8-R355 IonicContact OE1-CZ 3.66Å; E8-R355 IonicContact OE1-NH1 3.48Å; E8-R355 PolarHBondContact OE1-NH1 2.81Å; E8-R355 IonicContact OE1-NH2 3.12Å; E8-R355 PolarHBondContact OE1-NH2 3.37Å; T22-R355 VanDerWaalsContact O-CB 3.27Å; T22-R355 WeakPolarHBondContact O-CB 3.24Å; T22-R355 PolarHBondContact O-N 3.33Å; T23-R355 PolarHBondContact O-NH1 2.98Å; A24-R355 WeakPolarHBondContact O-CD 3.26Å; A24-R355 PolarHBondContact O-NH1 2.87Å; F27-R355 HydrophobicContact CB-CB 4.36Å; F27-R355 HydrophobicContact CD1-CB 3.84Å; F27-R355 WeakPolarHBondContact CD1-O 3.36Å; F27-R355 HydrophobicContact CE1-CB 4.5Å; F27-R355 WeakPolarHBondContact CE1-O 3.17Å; F27-R355 HydrophobicContact CG-CB 4.28Å; R355-W365 CarbonylContact C-O 3.5Å; R355-W365 WeakPolarHBondContact CA-O 3.48Å; R355-F366 HydrophobicContact CB-CE1 3.92Å; R355-F366 HydrophobicContact CB-CZ 4.33Å
356I89.6Confident86.1Confident65 Ų6544.3 Ų44.333%0.33324%0.24SC..PPolyproline II helixtrans-83.3126.8172-59.6170.3000107.8A358 W365I356-A358 PolarHBondContact O-N 3.5Å; I356-W365 HydrophobicContact CB-CB 3.95Å; I356-W365 HydrophobicContact CD1-CB 4.5Å; I356-W365 PolarHBondContact N-O 3.18Å
357E80.8Confident86.4Confident113 Ų11343 Ų4353%0.52824%0.235SC..PPolyproline II helixtrans-68.3116.1171.1-72-175.2-145.300109.5T28 R29T28-E357 VanDerWaalsContact C-OE1 3.3Å; T28-E357 WeakPolarHBondContact CA-OE1 3.23Å; R29-E357 WeakPolarHBondContact CB-OE1 3.19Å; R29-E357 PolarHBondContact N-OE1 3.37Å
358A75Confident86.7Confident25 Ų2541.5 Ų41.521%0.20723%0.227CC..  trans-127.3110.9176.500000108.9I356 G360 V361 W365I356-A358 PolarHBondContact O-N 3.5Å; A358-G360 PolarHBondContact O-N 3.4Å; A358-V361 HydrophobicContact CB-CG2 3.5Å; A358-V361 VanDerWaalsContact CB-CG2 3.5Å; A358-W365 HydrophobicContact CB-CD2 3.91Å; A358-W365 HydrophobicContact CB-CE3 3.87Å; A358-W365 HydrophobicContact CB-CG 4.47Å; A358-W365 HydrophobicContact CB-CH2 4.31Å; A358-W365 HydrophobicContact CB-CZ2 4.34Å; A358-W365 HydrophobicContact CB-CZ3 4.07Å
359P69Low86.6Confident135 Ų13541.5 Ų41.588%0.87723%0.227SC*.THydrogen-bonded Turntrans-65.7135.6179.725.2-31.6000110.6
360G69.4Low86.5Confident88 Ų8840.4 Ų40.491%0.90722%0.22SC*.THydrogen-bonded Turntrans87.7-2.7170.800000116.5A358A358-G360 PolarHBondContact O-N 3.4Å
361V70.4Confident86.3Confident44 Ų4440.4 Ų40.427%0.26722%0.22SC..  trans-110143.1172.6-64.30000111A358 W363 W365A358-V361 HydrophobicContact CB-CG2 3.5Å; A358-V361 VanDerWaalsContact CB-CG2 3.5Å; V361-W363 HydrophobicContact CB-CD2 4.4Å; V361-W363 HydrophobicContact CB-CZ2 4.33Å; V361-W363 HydrophobicContact CG1-CH2 4.3Å; V361-W363 HydrophobicContact CG1-CZ2 3.96Å; V361-W365 HydrophobicContact CG1-CZ2 4.26Å; V361-W365 HydrophobicContact CG2-CZ2 4.19Å
362R70.8Confident86.1Confident210 Ų21040 Ų4079%0.79222%0.219SC*.  trans-92.1-22.9179.3-70.7-170.1179.1-171.40.2113.7M5M5-R362 HydrophobicContact CE-CB 4.24Å; M5-R362 HydrophobicContact SD-CB 3.97Å
363W75.1Confident85.9Confident39 Ų3940.3 Ų40.315%0.14822%0.221CC..SBendtrans-85.7156.3178.156.989.2000111.4M1 M5 Y307 V361 W365M1-W363 HydrophobicContact CE-CZ3 4.45Å; M1-W363 HydrophobicContact CG-CZ3 4.44Å; M5-W363 HydrophobicContact SD-CB 3.92Å; Y307-W363 HydrophobicContact CD1-CZ2 4.38Å; Y307-W363 HydrophobicContact CG-CZ2 4.18Å; V361-W363 HydrophobicContact CB-CD2 4.4Å; V361-W363 HydrophobicContact CB-CZ2 4.33Å; V361-W363 HydrophobicContact CG1-CH2 4.3Å; V361-W363 HydrophobicContact CG1-CZ2 3.96Å; W363-W365 AromaticContact CD1-CD1 3.61Å; W363-W365 AromaticContact CD1-NE1 3.35Å; W363-W365 AromaticContact NE1-CD1 3.87Å; W363-W365 AromaticContact NE1-NE1 3.13Å; W363-W365 VanDerWaalsContact NE1-NE1 3.13Å
364S81.2Confident85.4Confident3 Ų340.3 Ų40.32%0.02122%0.221CC..  trans-82.8144.1-17651.70000113E8 F366E8-S364 WeakPolarHBondContact CG-OG 3.36Å; S364-F366 VanDerWaalsContact CB-CE2 3.49Å; S364-F366 WeakPolarHBondContact OG-CE2 3.3Å
365W89.6Confident85Confident66 Ų6641.1 Ų41.125%0.2522%0.224CC..  trans-119.6138177.6-69.922.8000108.1S304 C305 R355 I356 A358 V361 W363S304-W365 WeakPolarHBondContact O-CA 3.4Å; C305-W365 HydrophobicContact CB-CG 4.22Å; R355-W365 CarbonylContact C-O 3.5Å; R355-W365 WeakPolarHBondContact CA-O 3.48Å; I356-W365 HydrophobicContact CB-CB 3.95Å; I356-W365 HydrophobicContact CD1-CB 4.5Å; I356-W365 PolarHBondContact N-O 3.18Å; A358-W365 HydrophobicContact CB-CD2 3.91Å; A358-W365 HydrophobicContact CB-CE3 3.87Å; A358-W365 HydrophobicContact CB-CG 4.47Å; A358-W365 HydrophobicContact CB-CH2 4.31Å; A358-W365 HydrophobicContact CB-CZ2 4.34Å; A358-W365 HydrophobicContact CB-CZ3 4.07Å; V361-W365 HydrophobicContact CG1-CZ2 4.26Å; V361-W365 HydrophobicContact CG2-CZ2 4.19Å; W363-W365 AromaticContact CD1-CD1 3.61Å; W363-W365 AromaticContact CD1-NE1 3.35Å; W363-W365 AromaticContact NE1-CD1 3.87Å; W363-W365 AromaticContact NE1-NE1 3.13Å; W363-W365 VanDerWaalsContact NE1-NE1 3.13Å
366F93.3Very high83.8Confident0 Ų041 Ų410%022%0.223CC..BIsolated β-bridgetrans-139141.9177.5-59.7-90.2000110.3L11 Q12 T23 S304 I354 R355 S364 N368 A369L11-F366 HydrophobicContact CB-CD2 4.17Å; L11-F366 HydrophobicContact CB-CE2 3.75Å; L11-F366 HydrophobicContact CD1-CE2 4.48Å; L11-F366 HydrophobicContact CD2-CD2 4.32Å; Q12-F366 HydrophobicContact CG-CZ 4.48Å; T23-F366 HydrophobicContact CG2-CE1 3.82Å; T23-F366 HydrophobicContact CG2-CZ 4.27Å; S304-F366 WeakPolarHBondContact CA-O 3.5Å; S304-F366 PolarHBondContact O-N 3.38Å; I354-F366 VanDerWaalsContact O-CD1 3.31Å; I354-F366 WeakPolarHBondContact O-CD1 3.26Å; R355-F366 HydrophobicContact CB-CE1 3.92Å; R355-F366 HydrophobicContact CB-CZ 4.33Å; S364-F366 VanDerWaalsContact CB-CE2 3.49Å; S364-F366 WeakPolarHBondContact OG-CE2 3.3Å; F366-N368 PolarHBondContact O-N 3.19Å; F366-A369 HydrophobicContact CB-CB 4.06Å; F366-A369 WeakPolarHBondContact O-CB 3.4Å; F366-A369 PolarHBondContact O-N 3.37Å
367S94.4Very high82.4Confident11 Ų1139.1 Ų39.18%0.07722%0.216CC..THydrogen-bonded Turntrans-60.3139175.5-142.80000110.7N276 S352 A369N276-S367 PolarHBondContact OD1-OG 2.98Å; S352-S367 WeakPolarHBondContact CB-O 3.46Å; S352-S367 PolarHBondContact N-O 3.25Å; S367-A369 PolarHBondContact O-N 3.01Å
368N96.3Very high81.1Confident0 Ų037.5 Ų37.50%021%0.213CC..THydrogen-bonded Turntrans48.136.1-174-65-22.5000114.7H163 T167 N276 T302 N348 R351 F366 F370H163-N368 PolarHBondContact ND1-ND2 2.94Å; T167-N368 HydrophobicContact CG2-CB 4.46Å; T167-N368 PolarHBondContact OG1-ND2 2.75Å; N276-N368 PolarHBondContact ND2-N 3.44Å; N276-N368 PolarHBondContact OD1-N 3.03Å; N276-N368 PolarHBondContact OD1-OD1 3.47Å; T302-N368 HydrophobicContact CG2-CB 4.43Å; T302-N368 PolarHBondContact OG1-OD1 3Å; N348-N368 WeakPolarHBondContact CB-O 3.05Å; N348-N368 PolarHBondContact ND2-O 3.37Å; R351-N368 VanDerWaalsContact CB-O 3.27Å; R351-N368 WeakPolarHBondContact CB-O 3.27Å; F366-N368 PolarHBondContact O-N 3.19Å; N368-F370 PolarHBondContact O-N 3.44Å
369A94.6Very high79.9Confident0 Ų040.5 Ų40.50%023%0.226CC..  trans-60.9-45.5-177.300000113L11 D303 S304 L347 N348 F366 S367L11-A369 HydrophobicContact CD2-CB 4.16Å; D303-A369 WeakPolarHBondContact O-CB 3.39Å; D303-A369 PolarHBondContact O-N 3.4Å; S304-A369 VanDerWaalsContact O-CB 3.25Å; S304-A369 WeakPolarHBondContact O-CB 3.49Å; L347-A369 WeakPolarHBondContact CD1-O 3.49Å; N348-A369 WeakPolarHBondContact CB-O 3.36Å; N348-A369 PolarHBondContact N-O 3.42Å; F366-A369 HydrophobicContact CB-CB 4.06Å; F366-A369 WeakPolarHBondContact O-CB 3.4Å; F366-A369 PolarHBondContact O-N 3.37Å; S367-A369 PolarHBondContact O-N 3.01Å
370F93.3Very high78.9Confident3 Ų337.5 Ų37.51%0.01320%0.198CC..EExtended strand (participates in β ladder)trans-122.7143.7-176-65.7-88.6000110.6F7 L11 T302 D303 L306 L345 F346 L347 N368F7-F370 HydrophobicContact CD1-CE1 4.14Å; F7-F370 AromaticContact CD1-CZ 3.72Å; F7-F370 HydrophobicContact CD1-CZ 3.72Å; F7-F370 AromaticContact CE1-CE1 3.53Å; F7-F370 HydrophobicContact CE1-CE1 3.53Å; F7-F370 AromaticContact CE1-CZ 3.52Å; F7-F370 HydrophobicContact CE1-CZ 3.52Å; F7-F370 HydrophobicContact CZ-CE1 4.07Å; F7-F370 HydrophobicContact CZ-CZ 4.46Å; L11-F370 HydrophobicContact CD1-CE2 4.23Å; L11-F370 HydrophobicContact CD1-CZ 4.2Å; L11-F370 HydrophobicContact CD2-CE2 3.82Å; L11-F370 HydrophobicContact CD2-CZ 3.83Å; L11-F370 HydrophobicContact CG-CZ 4.33Å; T302-F370 CarbonylContact C-O 3.52Å; T302-F370 WeakPolarHBondContact CA-O 3.48Å; T302-F370 WeakPolarHBondContact CB-O 3.47Å; D303-F370 PolarHBondContact N-O 3.03Å; D303-F370 PolarHBondContact O-N 3.1Å; L306-F370 HydrophobicContact CB-CE1 4.48Å; L306-F370 HydrophobicContact CB-CE2 4.16Å; L306-F370 HydrophobicContact CB-CZ 4Å; L306-F370 HydrophobicContact CD1-CE1 4.41Å; L306-F370 VanDerWaalsContact N-CE2 3.33Å; L345-F370 HydrophobicContact CD1-CB 3.83Å; L345-F370 HydrophobicContact CD1-CD1 4.18Å; L345-F370 HydrophobicContact CD1-CG 4.32Å; F346-F370 CarbonylContact O-C 3.55Å; F346-F370 VanDerWaalsContact O-CA 3.24Å; F346-F370 WeakPolarHBondContact O-CA 3.24Å; L347-F370 HydrophobicContact CD1-CE1 4.43Å; N368-F370 PolarHBondContact O-N 3.44Å
371I94.6Very high77.7Confident0 Ų036.5 Ų36.50%017%0.171CC..EExtended strand (participates in β ladder)trans-109.9134.9171.4-65.7159000107.8T167 I171 F300 F301 T302 L345 F346 N348T167-I371 HydrophobicContact CG2-CD1 4.22Å; T167-I371 HydrophobicContact CG2-CG1 4.28Å; I171-I371 HydrophobicContact CD1-CG2 4.28Å; I171-I371 HydrophobicContact CG1-CD1 4.15Å; I171-I371 HydrophobicContact CG1-CG1 4.47Å; I171-I371 HydrophobicContact CG1-CG2 3.97Å; F300-I371 HydrophobicContact CB-CG2 4.44Å; F300-I371 HydrophobicContact CD1-CG2 3.89Å; F301-I371 CarbonylContact O-C 3.44Å; F301-I371 WeakPolarHBondContact O-CA 3.22Å; T302-I371 HydrophobicContact CG2-CG1 3.73Å; L345-I371 CarbonylContact C-O 3.5Å; L345-I371 WeakPolarHBondContact CA-O 3.47Å; F346-I371 PolarHBondContact N-O 2.94Å; F346-I371 PolarHBondContact O-N 3.02Å; N348-I371 HydrophobicContact CB-CD1 3.8Å; N348-I371 HydrophobicContact CB-CG1 3.98Å
372F92.4Very high76.5Confident0 Ų041 Ų410%019%0.189CC..EExtended strand (participates in β ladder)trans-148.9152.9176.265.7-74.4000113.5L279 F300 F301 D303 F313 C344 L345 P374L279-F372 HydrophobicContact CD1-CE2 3.87Å; L279-F372 HydrophobicContact CD1-CZ 3.94Å; L279-F372 HydrophobicContact CG-CZ 4.44Å; F300-F372 CarbonylContact C-O 3.57Å; F300-F372 WeakPolarHBondContact CA-O 3.29Å; F301-F372 HydrophobicContact CB-CD1 4.26Å; F301-F372 HydrophobicContact CB-CE1 3.69Å; F301-F372 HydrophobicContact CB-CE2 4.17Å; F301-F372 HydrophobicContact CB-CZ 3.64Å; F301-F372 PolarHBondContact N-O 3.29Å; F301-F372 WeakPolarHBondContact O-CD1 3.43Å; F301-F372 PolarHBondContact O-N 2.62Å; D303-F372 HydrophobicContact CB-CE1 4.1Å; F313-F372 HydrophobicContact CD2-CD2 4.29Å; F313-F372 HydrophobicContact CE1-CD2 4.44Å; F313-F372 HydrophobicContact CE2-CB 3.96Å; F313-F372 AromaticContact CE2-CD2 3.78Å; F313-F372 HydrophobicContact CE2-CD2 3.78Å; F313-F372 HydrophobicContact CE2-CG 4.13Å; F313-F372 HydrophobicContact CZ-CB 3.84Å; F313-F372 AromaticContact CZ-CD2 3.88Å; F313-F372 HydrophobicContact CZ-CD2 3.88Å; F313-F372 HydrophobicContact CZ-CG 4.29Å; C344-F372 CarbonylContact O-C 3.59Å; C344-F372 WeakPolarHBondContact O-CA 3.36Å; C344-F372 WeakPolarHBondContact O-CB 3.42Å; L345-F372 HydrophobicContact CB-CB 4.28Å; L345-F372 HydrophobicContact CD1-CB 3.73Å; L345-F372 HydrophobicContact CD1-CD1 4.44Å; L345-F372 HydrophobicContact CD1-CG 4.33Å; F372-P374 HydrophobicContact CD2-CB 4.26Å; F372-P374 HydrophobicContact CE2-CB 4.13Å
373S91.9Very high75.4Confident9 Ų939.6 Ų39.66%0.06319%0.189CC..  trans-107.4115.1166.7176.60000108.4V299 F313 C344 F375V299-S373 WeakPolarHBondContact O-CB 3.2Å; V299-S373 PolarHBondContact O-OG 3.27Å; F313-S373 VanDerWaalsContact CE1-O 3.22Å; F313-S373 WeakPolarHBondContact CE1-O 3.42Å; C344-S373 WeakPolarHBondContact CB-O 3.31Å; C344-S373 PolarHBondContact O-N 3.4Å; S373-F375 PolarHBondContact O-N 2.83Å
374P85.1Confident73.7Confident0 Ų043.1 Ų43.10%020%0.202CC..  trans-78.5-7.6-172.731.4-36.6000113.1L279 F301 S316 G322 F372L279-P374 HydrophobicContact CD1-CB 4.39Å; L279-P374 HydrophobicContact CD1-CG 4.36Å; F301-P374 HydrophobicContact CD2-CG 3.59Å; F301-P374 HydrophobicContact CE2-CG 3.61Å; S316-P374 WeakPolarHBondContact CB-O 3.36Å; S316-P374 PolarHBondContact OG-O 3.37Å; G322-P374 VanDerWaalsContact CA-O 3.22Å; G322-P374 WeakPolarHBondContact CA-O 3.36Å; F372-P374 HydrophobicContact CD2-CB 4.26Å; F372-P374 HydrophobicContact CE2-CB 4.13Å
375F85.4Confident71.9Confident26 Ų2647.7 Ų47.711%0.11423%0.234CC..SBendtrans-97.7155-178.5-60.7-18.1000111.5L289 I292 A293 V299 L321 S373L289-F375 HydrophobicContact CB-CE1 4.39Å; L289-F375 HydrophobicContact CB-CZ 4.39Å; L289-F375 HydrophobicContact CD2-CE1 4.1Å; L289-F375 HydrophobicContact CD2-CZ 4.13Å; L289-F375 WeakPolarHBondContact O-CZ 3.32Å; I292-F375 HydrophobicContact CB-CE2 4.25Å; I292-F375 HydrophobicContact CB-CZ 4.27Å; I292-F375 HydrophobicContact CG2-CE2 3.69Å; I292-F375 HydrophobicContact CG2-CZ 4.12Å; A293-F375 HydrophobicContact CB-CE2 4.06Å; A293-F375 HydrophobicContact CB-CZ 4.11Å; V299-F375 HydrophobicContact CG1-CD2 3.51Å; V299-F375 HydrophobicContact CG1-CE2 3.54Å; V299-F375 HydrophobicContact CG1-CG 4.24Å; V299-F375 HydrophobicContact CG1-CZ 4.27Å; L321-F375 HydrophobicContact CB-CD1 3.76Å; L321-F375 HydrophobicContact CB-CE1 3.84Å; L321-F375 HydrophobicContact CD1-CE1 3.79Å; L321-F375 HydrophobicContact CD1-CZ 4.18Å; L321-F375 HydrophobicContact CG-CE1 4.42Å; L321-F375 WeakPolarHBondContact O-CA 3.24Å; S373-F375 PolarHBondContact O-N 2.83Å
376Y66.8Low70Confident23 Ų2347.4 Ų47.49%0.0924%0.238CC..PPolyproline II helixtrans-57.3142.6166.4-75.4-60.2000111.6L321 G322 P323 S324 Y380 L381 L387L321-Y376 PolarHBondContact O-N 3.36Å; G322-Y376 WeakPolarHBondContact O-CE2 3.17Å; G322-Y376 PolarHBondContact O-OH 2.95Å; P323-Y376 VanDerWaalsContact CA-CZ 3.5Å; P323-Y376 WeakPolarHBondContact CA-OH 3.45Å; P323-Y376 HydrophobicContact CB-CE1 4.32Å; S324-Y376 PolarHBondContact N-OH 2.67Å; S324-Y376 PolarHBondContact OG-OH 2.81Å; Y376-Y380 AromaticContact CD1-CD1 3.11Å; Y376-Y380 HydrophobicContact CD1-CD1 3.11Å; Y376-Y380 HydrophobicContact CD1-CD2 4.07Å; Y376-Y380 AromaticContact CD1-CE1 3.31Å; Y376-Y380 HydrophobicContact CD1-CE1 3.31Å; Y376-Y380 HydrophobicContact CD1-CE2 4.2Å; Y376-Y380 AromaticContact CD1-CG 3.54Å; Y376-Y380 HydrophobicContact CD1-CG 3.54Å; Y376-Y380 AromaticContact CD1-CZ 3.85Å; Y376-Y380 AromaticContact CD2-CD1 3.93Å; Y376-Y380 HydrophobicContact CD2-CD1 3.93Å; Y376-Y380 HydrophobicContact CD2-CE1 4Å; Y376-Y380 AromaticContact CE1-CD1 3.43Å; Y376-Y380 HydrophobicContact CE1-CD1 3.43Å; Y376-Y380 VanDerWaalsContact CE1-CD1 3.43Å; Y376-Y380 HydrophobicContact CE1-CD2 4.23Å; Y376-Y380 AromaticContact CE1-CE1 3.03Å; Y376-Y380 HydrophobicContact CE1-CE1 3.03Å; Y376-Y380 AromaticContact CE1-CE2 3.89Å; Y376-Y380 HydrophobicContact CE1-CE2 3.89Å; Y376-Y380 HydrophobicContact CE1-CG 4.03Å; Y376-Y380 AromaticContact CE1-CZ 3.27Å; Y376-Y380 HydrophobicContact CE2-CD1 4.18Å; Y376-Y380 AromaticContact CE2-CE1 3.76Å; Y376-Y380 HydrophobicContact CE2-CE1 3.76Å; Y376-Y380 AromaticContact CG-CD1 3.36Å; Y376-Y380 HydrophobicContact CG-CD1 3.36Å; Y376-Y380 AromaticContact CG-CE1 3.76Å; Y376-Y380 HydrophobicContact CG-CE1 3.76Å; Y376-Y380 HydrophobicContact CG-CG 4.05Å; Y376-Y380 AromaticContact CZ-CD1 3.92Å; Y376-Y380 AromaticContact CZ-CE1 3.24Å; Y376-Y380 AromaticContact CZ-CZ 3.69Å; Y376-Y380 PolarHBondContact OH-OH 2.65Å; Y376-L381 HydrophobicContact CD2-CD2 3.82Å; Y376-L381 HydrophobicContact CG-CD2 4.15Å; Y376-L387 HydrophobicContact CD2-CD2 4.13Å; Y376-L387 HydrophobicContact CE2-CD2 4.2Å
377P60.3Low67.2Low27 Ų2748.4 Ų48.418%0.17524%0.243CC..PPolyproline II helixtrans-54.4143.7163.8-21.431.6000109.8D379 Y380 L381P377-D379 PolarHBondContact O-N 3.03Å; P377-D379 VanDerWaalsContact O-N 3.11Å; P377-Y380 WeakPolarHBondContact O-CA 3.33Å; P377-Y380 VanDerWaalsContact O-CB 3.3Å; P377-Y380 WeakPolarHBondContact O-CB 3.27Å; P377-Y380 PolarHBondContact O-N 2.84Å; P377-L381 PolarHBondContact O-N 3.22Å
378V54.4Low64.6Low78 Ų7851.9 Ų51.947%0.47327%0.265SS..Hα-helixtrans-53.6-36.2178.8177.30000111.2Y380 L381 Q382V378-Y380 VanDerWaalsContact C-N 3.29Å; V378-Y380 PolarHBondContact O-N 3.26Å; V378-L381 PolarHBondContact O-N 3.34Å; V378-L381 VanDerWaalsContact O-N 3.16Å; V378-Q382 HydrophobicContact CG1-CG 4.2Å; V378-Q382 WeakPolarHBondContact O-CG 3.11Å; V378-Q382 PolarHBondContact O-N 2.86Å
379D49.5Very low62.1Low89 Ų8958.2 Ų58.248%0.47630%0.298SS..Hα-helixtrans-61.8-33.8175.3-65.3-14.7000113.4P377 K383P377-D379 PolarHBondContact O-N 3.03Å; P377-D379 VanDerWaalsContact O-N 3.11Å; D379-K383 WeakPolarHBondContact O-CB 3.39Å; D379-K383 VanDerWaalsContact O-CG 3.24Å; D379-K383 WeakPolarHBondContact O-CG 3.01Å; D379-K383 PolarHBondContact O-N 3.12Å; D379-K383 VanDerWaalsContact O-N 3.12Å
380Y49.1Very low59.5Low72 Ų7265 Ų6528%0.28232%0.324SS..Hα-helixtrans-70.8-41.3175-175-78.2000110.8Y376 P377 V378 K383 R384Y376-Y380 AromaticContact CD1-CD1 3.11Å; Y376-Y380 HydrophobicContact CD1-CD1 3.11Å; Y376-Y380 HydrophobicContact CD1-CD2 4.07Å; Y376-Y380 AromaticContact CD1-CE1 3.31Å; Y376-Y380 HydrophobicContact CD1-CE1 3.31Å; Y376-Y380 HydrophobicContact CD1-CE2 4.2Å; Y376-Y380 AromaticContact CD1-CG 3.54Å; Y376-Y380 HydrophobicContact CD1-CG 3.54Å; Y376-Y380 AromaticContact CD1-CZ 3.85Å; Y376-Y380 AromaticContact CD2-CD1 3.93Å; Y376-Y380 HydrophobicContact CD2-CD1 3.93Å; Y376-Y380 HydrophobicContact CD2-CE1 4Å; Y376-Y380 AromaticContact CE1-CD1 3.43Å; Y376-Y380 HydrophobicContact CE1-CD1 3.43Å; Y376-Y380 VanDerWaalsContact CE1-CD1 3.43Å; Y376-Y380 HydrophobicContact CE1-CD2 4.23Å; Y376-Y380 AromaticContact CE1-CE1 3.03Å; Y376-Y380 HydrophobicContact CE1-CE1 3.03Å; Y376-Y380 AromaticContact CE1-CE2 3.89Å; Y376-Y380 HydrophobicContact CE1-CE2 3.89Å; Y376-Y380 HydrophobicContact CE1-CG 4.03Å; Y376-Y380 AromaticContact CE1-CZ 3.27Å; Y376-Y380 HydrophobicContact CE2-CD1 4.18Å; Y376-Y380 AromaticContact CE2-CE1 3.76Å; Y376-Y380 HydrophobicContact CE2-CE1 3.76Å; Y376-Y380 AromaticContact CG-CD1 3.36Å; Y376-Y380 HydrophobicContact CG-CD1 3.36Å; Y376-Y380 AromaticContact CG-CE1 3.76Å; Y376-Y380 HydrophobicContact CG-CE1 3.76Å; Y376-Y380 HydrophobicContact CG-CG 4.05Å; Y376-Y380 AromaticContact CZ-CD1 3.92Å; Y376-Y380 AromaticContact CZ-CE1 3.24Å; Y376-Y380 AromaticContact CZ-CZ 3.69Å; Y376-Y380 PolarHBondContact OH-OH 2.65Å; P377-Y380 WeakPolarHBondContact O-CA 3.33Å; P377-Y380 VanDerWaalsContact O-CB 3.3Å; P377-Y380 WeakPolarHBondContact O-CB 3.27Å; P377-Y380 PolarHBondContact O-N 2.84Å; V378-Y380 VanDerWaalsContact C-N 3.29Å; V378-Y380 PolarHBondContact O-N 3.26Å; Y380-K383 PolarHBondContact O-N 3.13Å; Y380-R384 PolarHBondContact O-N 3.31Å; Y380-R384 PolarHBondContact OH-NH1 3.17Å
381L43.9Very low56.8Low67 Ų6768.6 Ų68.635%0.35134%0.341SS..Hα-helixtrans-65.3-42.5175.8-63.6178.5000111.7Y376 P377 V378 K383 R384 L387Y376-L381 HydrophobicContact CD2-CD2 3.82Å; Y376-L381 HydrophobicContact CG-CD2 4.15Å; P377-L381 PolarHBondContact O-N 3.22Å; V378-L381 PolarHBondContact O-N 3.34Å; V378-L381 VanDerWaalsContact O-N 3.16Å; L381-K383 PolarHBondContact O-N 3.03Å; L381-R384 CarbonylContact O-C 3.51Å; L381-R384 PolarHBondContact O-N 2.89Å; L381-R384 VanDerWaalsContact O-N 3.16Å; L381-R384 VanDerWaalsContact O-O 3.09Å; L381-L387 HydrophobicContact CD2-CD2 3.3Å
382Q45.6Very low54.3Low138 Ų13872.7 Ų72.765%0.64538%0.375SS*.Hα-helixtrans-66.2-35.9177.8-72.9-178.84.500112.7V378 R384V378-Q382 HydrophobicContact CG1-CG 4.2Å; V378-Q382 WeakPolarHBondContact O-CG 3.11Å; V378-Q382 PolarHBondContact O-N 2.86Å; Q382-R384 PolarHBondContact O-N 3.48Å
383K46.4Very low51.7Low180 Ų18076.9 Ų76.978%0.78341%0.405SS*.Hα-helixtrans-68.9-19.8173.9-75.8172.9-175.7173.60113.3D379 Y380 L381D379-K383 WeakPolarHBondContact O-CB 3.39Å; D379-K383 VanDerWaalsContact O-CG 3.24Å; D379-K383 WeakPolarHBondContact O-CG 3.01Å; D379-K383 PolarHBondContact O-N 3.12Å; D379-K383 VanDerWaalsContact O-N 3.12Å; Y380-K383 PolarHBondContact O-N 3.13Å; L381-K383 PolarHBondContact O-N 3.03Å
384R39.6Very low48.8Very low113 Ų11382 Ų8243%0.42643%0.429SS..  trans-120.471.3175.8-72.6-168171.1-174.7-0.9110.5Y380 L381 Q382 D386 L387Y380-R384 PolarHBondContact O-N 3.31Å; Y380-R384 PolarHBondContact OH-NH1 3.17Å; L381-R384 CarbonylContact O-C 3.51Å; L381-R384 PolarHBondContact O-N 2.89Å; L381-R384 VanDerWaalsContact O-N 3.16Å; L381-R384 VanDerWaalsContact O-O 3.09Å; Q382-R384 PolarHBondContact O-N 3.48Å; R384-D386 PolarHBondContact O-N 3.05Å; R384-L387 WeakPolarHBondContact O-CB 3.49Å; R384-L387 PolarHBondContact O-N 3.37Å
385S44.6Very low46.2Very low100 Ų10089.9 Ų89.970%0.69947%0.471SS*.THydrogen-bonded Turntrans-57.7-13.5178.957.10000114.8
386D48.1Very low43.8Very low60 Ų6098 Ų9832%0.32152%0.523SS..THydrogen-bonded Turntrans-85.3-10.5175.373.1-43.2000114R384 L389 R390R384-D386 PolarHBondContact O-N 3.05Å; D386-L389 WeakPolarHBondContact O-CB 3.05Å; D386-L389 PolarHBondContact O-N 3.5Å; D386-R390 WeakPolarHBondContact O-CG 3.32Å; D386-R390 PolarHBondContact O-N 3.39Å; D386-R390 IonicContact OD2-CZ 3.28Å; D386-R390 VanDerWaalsContact OD2-CZ 3.28Å; D386-R390 IonicContact OD2-NE 2.85Å; D386-R390 PolarHBondContact OD2-NE 3.2Å; D386-R390 IonicContact OD2-NH2 3.08Å; D386-R390 PolarHBondContact OD2-NH2 3.26Å; D386-R390 VanDerWaalsContact OD2-NH2 3.08Å
387L36.2Very low42.7Very low20 Ų20101.8 Ų101.811%0.10554%0.544CS..Hα-helixtrans-62.2-46.3-177.8-153.389.7000112.9Y376 L381 R384 L389 R390 M391Y376-L387 HydrophobicContact CD2-CD2 4.13Å; Y376-L387 HydrophobicContact CE2-CD2 4.2Å; L381-L387 HydrophobicContact CD2-CD2 3.3Å; R384-L387 WeakPolarHBondContact O-CB 3.49Å; R384-L387 PolarHBondContact O-N 3.37Å; L387-L389 VanDerWaalsContact C-N 3.27Å; L387-L389 PolarHBondContact O-N 2.87Å; L387-R390 PolarHBondContact O-N 3.05Å; L387-R390 VanDerWaalsContact O-N 3.14Å; L387-M391 WeakPolarHBondContact O-CG 3.21Å; L387-M391 PolarHBondContact O-N 3.48Å
388P39.6Very low41.7Very low85 Ų85105.7 Ų105.755%0.55256%0.564SS**Hα-helixtrans-61.5-34.3175-22.434.7000113.1M391 A392P388-M391 PolarHBondContact O-N 2.84Å; P388-A392 PolarHBondContact O-N 2.75Å; P388-A392 VanDerWaalsContact O-N 3.09Å
389L43.7Very low41Very low133 Ų133107.2 Ų107.270%0.69657%0.569SS**Hα-helixtrans-69.3-34.3175.5-81.3158.5000112.4D386 L387D386-L389 WeakPolarHBondContact O-CB 3.05Å; D386-L389 PolarHBondContact O-N 3.5Å; L387-L389 VanDerWaalsContact C-N 3.27Å; L387-L389 PolarHBondContact O-N 2.87Å
390R39.9Very low40.5Very low143 Ų143108.3 Ų108.354%0.5457%0.574SS.*Hα-helixtrans-72.2-33.4171.9-71.7-179.2-172.9-153.1-1.8112.5D386 L387 S393 M394D386-R390 WeakPolarHBondContact O-CG 3.32Å; D386-R390 PolarHBondContact O-N 3.39Å; D386-R390 IonicContact OD2-CZ 3.28Å; D386-R390 VanDerWaalsContact OD2-CZ 3.28Å; D386-R390 IonicContact OD2-NE 2.85Å; D386-R390 PolarHBondContact OD2-NE 3.2Å; D386-R390 IonicContact OD2-NH2 3.08Å; D386-R390 PolarHBondContact OD2-NH2 3.26Å; D386-R390 VanDerWaalsContact OD2-NH2 3.08Å; L387-R390 PolarHBondContact O-N 3.05Å; L387-R390 VanDerWaalsContact O-N 3.14Å; R390-S393 PolarHBondContact O-N 2.99Å; R390-S393 PolarHBondContact O-OG 2.68Å; R390-M394 PolarHBondContact O-N 3.45Å
391M35.8Very low40Very low77 Ų77110.6 Ų110.638%0.37959%0.592SS.*Hα-helixtrans-65.2-41.1174.2-69.5172.86900111.2L321 L387 P388 S393 M394L321-M391 HydrophobicContact CD2-CE 3.49Å; L321-M391 VanDerWaalsContact CD2-CE 3.49Å; L321-M391 HydrophobicContact CD2-SD 4.5Å; L387-M391 WeakPolarHBondContact O-CG 3.21Å; L387-M391 PolarHBondContact O-N 3.48Å; P388-M391 PolarHBondContact O-N 2.84Å; M391-S393 PolarHBondContact O-N 3Å; M391-M394 PolarHBondContact O-N 3.18Å
392A42.7Very low39.8Very low86 Ų86113.5 Ų113.571%0.71161%0.608SS**THydrogen-bonded Turntrans-65.3-17.2176.200000114.1P388P388-A392 PolarHBondContact O-N 2.75Å; P388-A392 VanDerWaalsContact O-N 3.09Å
393S38.2Very low39.3Very low89 Ų89111.7 Ų111.762%0.62261%0.606SS**THydrogen-bonded Turntrans-97.5-7.3177.968.10000114.2R390 M391 N395R390-S393 PolarHBondContact O-N 2.99Å; R390-S393 PolarHBondContact O-OG 2.68Å; M391-S393 PolarHBondContact O-N 3Å; S393-N395 PolarHBondContact O-N 3.21Å
394M30.4Very low38.8Very low117 Ų117106.5 Ų106.558%0.57659%0.592SS**  trans-84.592.3174-71-178.3-178.800109.6R390 M391 V396R390-M394 PolarHBondContact O-N 3.45Å; M391-M394 PolarHBondContact O-N 3.18Å; M394-V396 PolarHBondContact O-N 3.17Å
395N30.4Very low38.7Very low164 Ų164105.9 Ų105.988%0.87761%0.606SS**  trans-68.9109.7161.6-75.3-22.3000108.1S393S393-N395 PolarHBondContact O-N 3.21Å
396V35.4Very low38.2Very low197 Ų197106.5 Ų106.5100%1.19460%0.598SS**  trans-930162.1-179.80000108.9M394M394-V396 PolarHBondContact O-N 3.17Å

Retrieved 396 of 396 residues in 264 ms (Link to these results)

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