A0A093HVY0_STRCA Loading...

1-acyl-sn-glycerol-3-phosphate acyltransferase gamma

AlphaFold DB , UniProt , Accession A0A093HVY0, Species STRCA (Struthio camelus australis), Gene n/a, Length 376 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
1M60.5Low87.3Confident214 Ų21486.1 Ų86.1100%1.05446%0.455SS*.  0129.20-80.6-178.9-90.500108.1
2G87.1Confident87.3Confident50 Ų5086.5 Ų86.552%0.51546%0.456SS..  trans-70.4159.8177.100000112.3I4 A5 F6G2-I4 VanDerWaalsContact C-N 3.29Å; G2-I4 PolarHBondContact O-N 3.24Å; G2-A5 WeakPolarHBondContact O-CA 3.37Å; G2-A5 WeakPolarHBondContact O-CB 3.34Å; G2-A5 PolarHBondContact O-N 2.82Å; G2-F6 PolarHBondContact O-N 2.96Å
3F89.6Confident87.8Confident154 Ų15482.2 Ų82.268%0.67543%0.434SS*.Hα-helixtrans-52.6-43.1-178.6177.6-109.6000113.2A5 F6 L7F3-A5 VanDerWaalsContact C-N 3.35Å; F3-A5 PolarHBondContact O-N 2.87Å; F3-F6 WeakPolarHBondContact O-CB 3.37Å; F3-F6 PolarHBondContact O-N 2.86Å; F3-L7 HydrophobicContact CD1-CD1 4.02Å; F3-L7 HydrophobicContact CD1-CG 4.47Å; F3-L7 HydrophobicContact CE1-CD1 3.5Å; F3-L7 VanDerWaalsContact CE1-CD1 3.5Å; F3-L7 HydrophobicContact CE1-CG 4.11Å; F3-L7 HydrophobicContact CE2-CD2 4.42Å; F3-L7 HydrophobicContact CE2-CG 4.41Å; F3-L7 HydrophobicContact CZ-CD1 3.84Å; F3-L7 HydrophobicContact CZ-CD2 4.13Å; F3-L7 HydrophobicContact CZ-CG 4.08Å; F3-L7 PolarHBondContact O-N 2.92Å
4I88.9Confident88Confident114 Ų11477.4 Ų77.459%0.58541%0.408SS*.Hα-helixtrans-61.9-42.1176.2-64.3174.4000111.3G2 F6 L7 K8G2-I4 VanDerWaalsContact C-N 3.29Å; G2-I4 PolarHBondContact O-N 3.24Å; I4-F6 VanDerWaalsContact C-N 3.29Å; I4-F6 PolarHBondContact O-N 3.23Å; I4-L7 PolarHBondContact O-N 2.98Å; I4-K8 HydrophobicContact CG2-CD 4.48Å; I4-K8 WeakPolarHBondContact O-CG 3.36Å; I4-K8 PolarHBondContact O-N 3.06Å; I4-K8 VanDerWaalsContact O-N 3.08Å
5A89.8Confident88.1Confident45 Ų4574.9 Ų74.937%0.37240%0.395SS..Hα-helixtrans-64.6-37.2178.400000111.3G2 F3 K8G2-A5 WeakPolarHBondContact O-CA 3.37Å; G2-A5 WeakPolarHBondContact O-CB 3.34Å; G2-A5 PolarHBondContact O-N 2.82Å; F3-A5 VanDerWaalsContact C-N 3.35Å; F3-A5 PolarHBondContact O-N 2.87Å; A5-K8 PolarHBondContact O-N 3.4Å
6F91.8Very high88.5Confident110 Ų11072.8 Ų72.848%0.48238%0.384SS..Hα-helixtrans-64.5-43.2172.3172.9-98000112.3G2 F3 I4 K8 T9 Q10G2-F6 PolarHBondContact O-N 2.96Å; F3-F6 WeakPolarHBondContact O-CB 3.37Å; F3-F6 PolarHBondContact O-N 2.86Å; I4-F6 VanDerWaalsContact C-N 3.29Å; I4-F6 PolarHBondContact O-N 3.23Å; F6-K8 VanDerWaalsContact C-N 3.28Å; F6-K8 PolarHBondContact O-N 3.23Å; F6-T9 PolarHBondContact O-N 3.1Å; F6-T9 VanDerWaalsContact O-N 3.07Å; F6-T9 PolarHBondContact O-OG1 3.12Å; F6-Q10 HydrophobicContact CD1-CG 4.4Å; F6-Q10 HydrophobicContact CE1-CG 4.08Å; F6-Q10 HydrophobicContact CZ-CG 4.37Å; F6-Q10 VanDerWaalsContact CZ-NE2 3.26Å; F6-Q10 WeakPolarHBondContact O-CG 3.23Å; F6-Q10 PolarHBondContact O-NE2 2.97Å
7L92.1Very high88.9Confident59 Ų5969.8 Ų69.831%0.30937%0.368SS..Hα-helixtrans-59.2-39.1176.6-73179.6000112.5F3 I4 T9 Q10F3-L7 HydrophobicContact CD1-CD1 4.02Å; F3-L7 HydrophobicContact CD1-CG 4.47Å; F3-L7 HydrophobicContact CE1-CD1 3.5Å; F3-L7 VanDerWaalsContact CE1-CD1 3.5Å; F3-L7 HydrophobicContact CE1-CG 4.11Å; F3-L7 HydrophobicContact CE2-CD2 4.42Å; F3-L7 HydrophobicContact CE2-CG 4.41Å; F3-L7 HydrophobicContact CZ-CD1 3.84Å; F3-L7 HydrophobicContact CZ-CD2 4.13Å; F3-L7 HydrophobicContact CZ-CG 4.08Å; F3-L7 PolarHBondContact O-N 2.92Å; I4-L7 PolarHBondContact O-N 2.98Å; L7-T9 PolarHBondContact O-N 2.92Å; L7-Q10 WeakPolarHBondContact O-CB 3.29Å; L7-Q10 PolarHBondContact O-N 3.27Å
8K92.4Very high89.1Confident41 Ų4167.7 Ų67.718%0.17837%0.366CS..THydrogen-bonded Turntrans-67.3-10.3177.4-65.3-177.4-176177.50114.2I4 A5 F6 H14 W68 Y245I4-K8 HydrophobicContact CG2-CD 4.48Å; I4-K8 WeakPolarHBondContact O-CG 3.36Å; I4-K8 PolarHBondContact O-N 3.06Å; I4-K8 VanDerWaalsContact O-N 3.08Å; A5-K8 PolarHBondContact O-N 3.4Å; F6-K8 VanDerWaalsContact C-N 3.28Å; F6-K8 PolarHBondContact O-N 3.23Å; K8-H14 PolarHBondContact O-CE1 2.7Å; K8-H14 PolarHBondContact O-NE2 3.3Å; K8-W68 HydrophobicContact CB-CZ2 3.97Å; K8-W68 WeakPolarHBondContact CE-O 3.48Å; K8-W68 HydrophobicContact CG-CD2 4.4Å; K8-W68 HydrophobicContact CG-CH2 3.77Å; K8-W68 HydrophobicContact CG-CZ2 3.52Å; K8-W68 HydrophobicContact CG-CZ3 4.35Å; K8-W68 PolarHBondContact NZ-O 3.47Å; K8-Y245 WeakPolarHBondContact O-CA 3.18Å
9T90Very high89.4Confident63 Ų6367.9 Ų67.939%0.38736%0.363SS..THydrogen-bonded Turntrans-98.3-7.1172.866.80000112.7F6 L7 F11F6-T9 PolarHBondContact O-N 3.1Å; F6-T9 VanDerWaalsContact O-N 3.07Å; F6-T9 PolarHBondContact O-OG1 3.12Å; L7-T9 PolarHBondContact O-N 2.92Å; T9-F11 PolarHBondContact O-N 3.35Å
10Q91Very high89.8Confident57 Ų5764.6 Ų64.627%0.26635%0.345SS..  trans-79.8118.6-175.8-58.1-47.7-61.600111.1F6 L7 I12 V13 H14F6-Q10 HydrophobicContact CD1-CG 4.4Å; F6-Q10 HydrophobicContact CE1-CG 4.08Å; F6-Q10 HydrophobicContact CZ-CG 4.37Å; F6-Q10 VanDerWaalsContact CZ-NE2 3.26Å; F6-Q10 WeakPolarHBondContact O-CG 3.23Å; F6-Q10 PolarHBondContact O-NE2 2.97Å; L7-Q10 WeakPolarHBondContact O-CB 3.29Å; L7-Q10 PolarHBondContact O-N 3.27Å; Q10-I12 HydrophobicContact CB-CG2 4.13Å; Q10-I12 PolarHBondContact O-N 2.94Å; Q10-I12 VanDerWaalsContact O-N 3.16Å; Q10-V13 HydrophobicContact CB-CB 4.39Å; Q10-V13 HydrophobicContact CB-CG2 3.9Å; Q10-V13 WeakPolarHBondContact O-CB 3.38Å; Q10-V13 PolarHBondContact O-N 3.31Å; Q10-H14 PolarHBondContact O-N 3.47Å
11F86.9Confident90.1Very high40 Ų4063.2 Ų63.218%0.17534%0.336CS..Hα-helixtrans-55.2-35.8177.2-175.4-107.1000112.9T9 V13 H14 L15 S349 V352 R353T9-F11 PolarHBondContact O-N 3.35Å; F11-V13 VanDerWaalsContact C-N 3.27Å; F11-V13 PolarHBondContact O-N 3.16Å; F11-H14 WeakPolarHBondContact O-CB 3.2Å; F11-H14 PolarHBondContact O-N 2.68Å; F11-L15 HydrophobicContact CD1-CD1 3.85Å; F11-L15 HydrophobicContact CD1-CG 3.99Å; F11-L15 HydrophobicContact CE1-CD1 3.52Å; F11-L15 HydrophobicContact CE1-CD2 3.82Å; F11-L15 HydrophobicContact CE1-CG 3.62Å; F11-L15 HydrophobicContact CZ-CD1 4.32Å; F11-L15 HydrophobicContact CZ-CD2 3.75Å; F11-L15 HydrophobicContact CZ-CG 3.98Å; F11-L15 WeakPolarHBondContact O-CG 3.49Å; F11-L15 PolarHBondContact O-N 3.1Å; F11-S349 VanDerWaalsContact CE1-OG 3.23Å; F11-S349 WeakPolarHBondContact CE1-OG 3.36Å; F11-V352 HydrophobicContact CZ-CG1 4.27Å; F11-R353 HydrophobicContact CE1-CG 4.02Å; F11-R353 HydrophobicContact CE2-CG 3.87Å; F11-R353 HydrophobicContact CZ-CG 3.46Å; F11-R353 VanDerWaalsContact CZ-CG 3.46Å
12I87.9Confident91.8Very high91 Ų9156.2 Ų56.247%0.46731%0.306SS..Hα-helixtrans-62.2-35.7177.1-169.761.9000112Q10 L15 L16Q10-I12 HydrophobicContact CB-CG2 4.13Å; Q10-I12 PolarHBondContact O-N 2.94Å; Q10-I12 VanDerWaalsContact O-N 3.16Å; I12-L15 HydrophobicContact CD1-CD1 4.26Å; I12-L15 WeakPolarHBondContact O-CB 3.29Å; I12-L15 PolarHBondContact O-N 3.13Å; I12-L16 VanDerWaalsContact O-CG 3.31Å; I12-L16 WeakPolarHBondContact O-CG 3.24Å; I12-L16 PolarHBondContact O-N 2.84Å
13V92.8Very high92.2Very high30 Ų3055.7 Ų55.718%0.18229%0.292CS..Hα-helixtrans-69.2-39.6177.3179.80000110.4Q10 F11 L15 L16 I17 W68Q10-V13 HydrophobicContact CB-CB 4.39Å; Q10-V13 HydrophobicContact CB-CG2 3.9Å; Q10-V13 WeakPolarHBondContact O-CB 3.38Å; Q10-V13 PolarHBondContact O-N 3.31Å; F11-V13 VanDerWaalsContact C-N 3.27Å; F11-V13 PolarHBondContact O-N 3.16Å; V13-L15 VanDerWaalsContact C-N 3.33Å; V13-L15 PolarHBondContact O-N 3.34Å; V13-L16 PolarHBondContact O-N 3.11Å; V13-I17 HydrophobicContact CG1-CD1 4.12Å; V13-I17 WeakPolarHBondContact O-CG1 3.37Å; V13-I17 PolarHBondContact O-N 3.19Å; V13-W68 HydrophobicContact CG1-CH2 3.49Å; V13-W68 VanDerWaalsContact CG1-CH2 3.49Å; V13-W68 HydrophobicContact CG1-CZ2 4.03Å; V13-W68 HydrophobicContact CG1-CZ3 4.39Å
14H91.4Very high92.6Very high15 Ų1548.4 Ų48.47%0.06926%0.26CS..Hα-helixtrans-62.2-40.2173.3-58.2160.9000112.4K8 Q10 F11 L16 I17 G18 L244 Y245K8-H14 PolarHBondContact O-CE1 2.7Å; K8-H14 PolarHBondContact O-NE2 3.3Å; Q10-H14 PolarHBondContact O-N 3.47Å; F11-H14 WeakPolarHBondContact O-CB 3.2Å; F11-H14 PolarHBondContact O-N 2.68Å; H14-L16 VanDerWaalsContact C-N 3.35Å; H14-I17 PolarHBondContact O-N 3.27Å; H14-G18 PolarHBondContact O-N 3.5Å; H14-L244 HydrophobicContact CB-CD1 4.21Å; H14-L244 HydrophobicContact CB-CD2 4.04Å; H14-L244 HydrophobicContact CB-CG 4.2Å; H14-L244 PolarHBondContact NE2-O 2.65Å; H14-L244 VanDerWaalsContact NE2-O 3.1Å; H14-Y245 AromaticContact CE1-CD1 3.64Å; H14-Y245 AromaticContact CE1-CE1 3.58Å; H14-Y245 AromaticContact CE1-CG 3.99Å; H14-Y245 AromaticContact CE1-CZ 3.88Å
15L89.6Confident93.1Very high41 Ų4143 Ų4322%0.21523%0.232CC..Hα-helixtrans-61.9-41.9173.8-72.5-179.2000111.8F11 I12 V13 G18 F19 V352F11-L15 HydrophobicContact CD1-CD1 3.85Å; F11-L15 HydrophobicContact CD1-CG 3.99Å; F11-L15 HydrophobicContact CE1-CD1 3.52Å; F11-L15 HydrophobicContact CE1-CD2 3.82Å; F11-L15 HydrophobicContact CE1-CG 3.62Å; F11-L15 HydrophobicContact CZ-CD1 4.32Å; F11-L15 HydrophobicContact CZ-CD2 3.75Å; F11-L15 HydrophobicContact CZ-CG 3.98Å; F11-L15 WeakPolarHBondContact O-CG 3.49Å; F11-L15 PolarHBondContact O-N 3.1Å; I12-L15 HydrophobicContact CD1-CD1 4.26Å; I12-L15 WeakPolarHBondContact O-CB 3.29Å; I12-L15 PolarHBondContact O-N 3.13Å; V13-L15 VanDerWaalsContact C-N 3.33Å; V13-L15 PolarHBondContact O-N 3.34Å; L15-G18 PolarHBondContact O-N 3.21Å; L15-F19 VanDerWaalsContact O-CB 3.24Å; L15-F19 WeakPolarHBondContact O-CB 3.41Å; L15-F19 PolarHBondContact O-N 2.97Å; L15-V352 HydrophobicContact CD2-CB 4.2Å; L15-V352 HydrophobicContact CD2-CG1 3.93Å; L15-V352 HydrophobicContact CD2-CG2 4.25Å
16L93.9Very high93.5Very high41 Ų4144.8 Ų44.822%0.21524%0.236CC..Hα-helixtrans-66.4-43.1177.9-67.1170.2000111.8I12 V13 H14 F19 V20 L319 L322 F323I12-L16 VanDerWaalsContact O-CG 3.31Å; I12-L16 WeakPolarHBondContact O-CG 3.24Å; I12-L16 PolarHBondContact O-N 2.84Å; V13-L16 PolarHBondContact O-N 3.11Å; H14-L16 VanDerWaalsContact C-N 3.35Å; L16-F19 PolarHBondContact O-N 3.34Å; L16-V20 WeakPolarHBondContact O-CG2 3.32Å; L16-V20 PolarHBondContact O-N 2.91Å; L16-L319 HydrophobicContact CD2-CD2 3.89Å; L16-L322 HydrophobicContact CD2-CD2 4.21Å; L16-F323 HydrophobicContact CD1-CE1 4.4Å; L16-F323 HydrophobicContact CD1-CZ 4.05Å; L16-F323 HydrophobicContact CD2-CE1 4.29Å; L16-F323 HydrophobicContact CD2-CZ 4.29Å
17I95.5Very high93.8Very high21 Ų2142.7 Ų42.711%0.10823%0.229CC..Hα-helixtrans-60.2-47.4174-68168.9000110.2V13 H14 F19 V20 F21 L64 W68 F311V13-I17 HydrophobicContact CG1-CD1 4.12Å; V13-I17 WeakPolarHBondContact O-CG1 3.37Å; V13-I17 PolarHBondContact O-N 3.19Å; H14-I17 PolarHBondContact O-N 3.27Å; I17-F19 PolarHBondContact O-N 3.36Å; I17-V20 PolarHBondContact O-N 2.93Å; I17-F21 PolarHBondContact O-N 3.44Å; I17-L64 HydrophobicContact CD1-CD1 4.49Å; I17-L64 HydrophobicContact CG2-CD1 4.23Å; I17-W68 HydrophobicContact CD1-CD2 4.11Å; I17-W68 HydrophobicContact CD1-CE3 4.26Å; I17-W68 HydrophobicContact CD1-CH2 3.96Å; I17-W68 HydrophobicContact CD1-CZ2 3.72Å; I17-W68 HydrophobicContact CD1-CZ3 4.21Å; I17-F311 HydrophobicContact CG1-CZ 4.19Å; I17-F311 HydrophobicContact CG2-CE2 4.5Å
18G92.8Very high94.1Very high32 Ų3240 Ų4033%0.3321%0.214SC..Hα-helixtrans-61.8-41.2177.200000112.6H14 L15 F21 V22H14-G18 PolarHBondContact O-N 3.5Å; L15-G18 PolarHBondContact O-N 3.21Å; G18-F21 PolarHBondContact O-N 3.39Å; G18-V22 WeakPolarHBondContact O-CB 3.45Å; G18-V22 VanDerWaalsContact O-CG2 3.27Å; G18-V22 WeakPolarHBondContact O-CG2 3.46Å; G18-V22 PolarHBondContact O-N 2.97Å
19F94.1Very high94.4Very high73 Ų7338.3 Ų38.332%0.3221%0.208SC..Hα-helixtrans-60.2-48.2175.1173.6-94.6000111.4L15 L16 I17 F21 V22 V23 L318 L319 L322L15-F19 VanDerWaalsContact O-CB 3.24Å; L15-F19 WeakPolarHBondContact O-CB 3.41Å; L15-F19 PolarHBondContact O-N 2.97Å; L16-F19 PolarHBondContact O-N 3.34Å; I17-F19 PolarHBondContact O-N 3.36Å; F19-F21 PolarHBondContact O-N 2.94Å; F19-V22 PolarHBondContact O-N 3.43Å; F19-V23 HydrophobicContact CD2-CG2 3.8Å; F19-V23 HydrophobicContact CE1-CG2 4.36Å; F19-V23 HydrophobicContact CE2-CG2 3.55Å; F19-V23 HydrophobicContact CG-CG2 4.31Å; F19-V23 HydrophobicContact CZ-CG2 3.86Å; F19-V23 WeakPolarHBondContact O-CB 3.37Å; F19-V23 WeakPolarHBondContact O-CG2 3.38Å; F19-V23 PolarHBondContact O-N 3.39Å; F19-L318 HydrophobicContact CE1-CB 4.09Å; F19-L319 HydrophobicContact CD1-CD2 3.75Å; F19-L319 HydrophobicContact CE1-CD2 4.09Å; F19-L322 HydrophobicContact CD1-CD2 4.17Å; F19-L322 HydrophobicContact CE1-CD2 3.91Å; F19-L322 HydrophobicContact CZ-CD2 4.15Å
20V97.5Very high94.8Very high0 Ų041.7 Ų41.70%022%0.217CC..Hα-helixtrans-58.3-48.6176.9172.60000110.5L16 I17 V22 S24 F311 W314 A315 L318 L319L16-V20 WeakPolarHBondContact O-CG2 3.32Å; L16-V20 PolarHBondContact O-N 2.91Å; I17-V20 PolarHBondContact O-N 2.93Å; V20-V22 PolarHBondContact O-N 2.88Å; V20-S24 WeakPolarHBondContact O-CB 3.34Å; V20-S24 PolarHBondContact O-N 3.41Å; V20-S24 PolarHBondContact O-OG 2.87Å; V20-F311 HydrophobicContact CB-CE2 4.19Å; V20-F311 HydrophobicContact CG1-CD2 4.15Å; V20-F311 HydrophobicContact CG1-CE2 3.8Å; V20-W314 HydrophobicContact CG1-CB 3.83Å; V20-A315 HydrophobicContact CG2-CB 4.21Å; V20-L318 HydrophobicContact CG1-CD1 4.44Å; V20-L319 HydrophobicContact CG2-CD1 4.04Å; V20-L319 HydrophobicContact CG2-CD2 3.87Å; V20-L319 HydrophobicContact CG2-CG 3.84Å
21F96.7Very high95.1Very high36 Ų3642.3 Ų42.316%0.15822%0.222CC..Hα-helixtrans-61.2-46.6178.8179.9-101.8000112.5I17 G18 F19 S24 G25 L57 Q60 L61 L131I17-F21 PolarHBondContact O-N 3.44Å; G18-F21 PolarHBondContact O-N 3.39Å; F19-F21 PolarHBondContact O-N 2.94Å; F21-S24 PolarHBondContact O-OG 3.4Å; F21-G25 PolarHBondContact O-N 3.2Å; F21-L57 HydrophobicContact CD2-CD1 3.94Å; F21-L57 HydrophobicContact CE2-CD1 3.45Å; F21-L57 VanDerWaalsContact CE2-CD1 3.45Å; F21-L57 HydrophobicContact CE2-CG 4.11Å; F21-L57 HydrophobicContact CZ-CD1 3.9Å; F21-L57 HydrophobicContact CZ-CG 4.43Å; F21-Q60 HydrophobicContact CD2-CB 4.1Å; F21-L61 HydrophobicContact CD2-CD2 4.44Å; F21-L61 HydrophobicContact CD2-CG 4.44Å; F21-L61 HydrophobicContact CE2-CD1 4Å; F21-L61 HydrophobicContact CE2-CD2 4.07Å; F21-L61 HydrophobicContact CE2-CG 3.77Å; F21-L61 HydrophobicContact CZ-CD1 4.02Å; F21-L61 HydrophobicContact CZ-CD2 4.34Å; F21-L61 HydrophobicContact CZ-CG 4.23Å; F21-L131 HydrophobicContact CD1-CD1 4.35Å; F21-L131 HydrophobicContact CE1-CD1 4.13Å
22V95.4Very high95.7Very high68 Ų6840.4 Ų40.441%0.41221%0.213SC..Hα-helixtrans-68.3-50.4-176.5170.10000111.5G18 F19 V20 G25 L26 L131G18-V22 WeakPolarHBondContact O-CB 3.45Å; G18-V22 VanDerWaalsContact O-CG2 3.27Å; G18-V22 WeakPolarHBondContact O-CG2 3.46Å; G18-V22 PolarHBondContact O-N 2.97Å; F19-V22 PolarHBondContact O-N 3.43Å; V20-V22 PolarHBondContact O-N 2.88Å; V22-G25 PolarHBondContact O-N 2.67Å; V22-L26 HydrophobicContact CG1-CD1 4.3Å; V22-L26 WeakPolarHBondContact O-CG 3.4Å; V22-L26 PolarHBondContact O-N 2.97Å; V22-L131 HydrophobicContact CB-CD1 4.25Å; V22-L131 HydrophobicContact CG1-CD1 4.35Å; V22-L131 HydrophobicContact CG2-CD1 4.13Å
23V96.6Very high96.2Very high39 Ų3940.5 Ų40.524%0.23621%0.214CC..Hα-helixtrans-70.3-42.1-175.6178.40000111.1F19 G25 L26 I27 L318F19-V23 HydrophobicContact CD2-CG2 3.8Å; F19-V23 HydrophobicContact CE1-CG2 4.36Å; F19-V23 HydrophobicContact CE2-CG2 3.55Å; F19-V23 HydrophobicContact CG-CG2 4.31Å; F19-V23 HydrophobicContact CZ-CG2 3.86Å; F19-V23 WeakPolarHBondContact O-CB 3.37Å; F19-V23 WeakPolarHBondContact O-CG2 3.38Å; F19-V23 PolarHBondContact O-N 3.39Å; V23-G25 VanDerWaalsContact C-N 3.32Å; V23-G25 PolarHBondContact O-N 3.06Å; V23-L26 PolarHBondContact O-N 3.3Å; V23-I27 HydrophobicContact CG1-CD1 4.12Å; V23-I27 WeakPolarHBondContact O-CG1 3.24Å; V23-I27 PolarHBondContact O-N 3.25Å; V23-L318 HydrophobicContact CB-CD1 4.11Å; V23-L318 HydrophobicContact CG1-CD1 4.18Å; V23-L318 HydrophobicContact CG1-CD2 3.79Å
24S98.4Very high96.4Very high0 Ų042.1 Ų42.10%023%0.226CC..Hα-helixtrans-62.2-40.4172.7640000111.7V20 F21 L26 I27 I28 Q60 W314V20-S24 WeakPolarHBondContact O-CB 3.34Å; V20-S24 PolarHBondContact O-N 3.41Å; V20-S24 PolarHBondContact O-OG 2.87Å; F21-S24 PolarHBondContact O-OG 3.4Å; S24-L26 PolarHBondContact O-N 3.39Å; S24-I27 PolarHBondContact O-N 2.93Å; S24-I28 WeakPolarHBondContact O-CB 3.42Å; S24-I28 WeakPolarHBondContact O-CD1 3.24Å; S24-I28 WeakPolarHBondContact O-CG1 3.1Å; S24-I28 PolarHBondContact O-N 2.92Å; S24-Q60 PolarHBondContact OG-NE2 3.32Å; S24-Q60 PolarHBondContact OG-OE1 2.96Å; S24-W314 VanDerWaalsContact CB-CD2 3.45Å; S24-W314 VanDerWaalsContact CB-CE3 3.49Å
25G97.6Very high96.7Very high0 Ų041.9 Ų41.90%023%0.226CC..Hα-helixtrans-59.9-43.4175.300000113.1F21 V22 V23 I28 N29F21-G25 PolarHBondContact O-N 3.2Å; V22-G25 PolarHBondContact O-N 2.67Å; V23-G25 VanDerWaalsContact C-N 3.32Å; V23-G25 PolarHBondContact O-N 3.06Å; G25-I28 PolarHBondContact O-N 2.85Å; G25-N29 PolarHBondContact O-N 3.41Å
26L97.9Very high97.1Very high84 Ų8443.2 Ų43.244%0.4423%0.233SC..Hα-helixtrans-63-44.2176.4-72.4173.4000111.5V22 V23 S24 N29 F30 L131 W134V22-L26 HydrophobicContact CG1-CD1 4.3Å; V22-L26 WeakPolarHBondContact O-CG 3.4Å; V22-L26 PolarHBondContact O-N 2.97Å; V23-L26 PolarHBondContact O-N 3.3Å; S24-L26 PolarHBondContact O-N 3.39Å; L26-N29 PolarHBondContact O-N 2.96Å; L26-F30 WeakPolarHBondContact O-CB 3.46Å; L26-F30 PolarHBondContact O-N 3.38Å; L26-L131 HydrophobicContact CB-CD2 4.46Å; L26-L131 HydrophobicContact CD2-CD2 3.68Å; L26-L131 HydrophobicContact CG-CD2 3.82Å; L26-W134 HydrophobicContact CD2-CZ3 4.19Å
27I98.4Very high97.2Very high66 Ų6646.1 Ų46.134%0.33825%0.252SS..Hα-helixtrans-60.8-47.2175.5-67165.8000110.1V23 S24 N29 F30 I31 W314 L318V23-I27 HydrophobicContact CG1-CD1 4.12Å; V23-I27 WeakPolarHBondContact O-CG1 3.24Å; V23-I27 PolarHBondContact O-N 3.25Å; S24-I27 PolarHBondContact O-N 2.93Å; I27-N29 PolarHBondContact O-N 3.44Å; I27-F30 WeakPolarHBondContact O-CB 3.27Å; I27-F30 PolarHBondContact O-N 3.36Å; I27-I31 HydrophobicContact CG2-CD1 4.04Å; I27-I31 WeakPolarHBondContact O-CG1 3.43Å; I27-I31 PolarHBondContact O-N 3.44Å; I27-W314 HydrophobicContact CB-CH2 4.5Å; I27-W314 HydrophobicContact CD1-CZ3 4.15Å; I27-W314 HydrophobicContact CG2-CH2 4.05Å; I27-W314 HydrophobicContact CG2-CZ3 4.36Å; I27-L318 HydrophobicContact CD1-CD2 4.02Å
28I98.6Very high97.3Very high1 Ų147.3 Ų47.31%0.00526%0.258CS..Hα-helixtrans-59.6-48.5178.6-72.3165.4000110.5S24 G25 F30 I31 Q32 L53 L57 W314S24-I28 WeakPolarHBondContact O-CB 3.42Å; S24-I28 WeakPolarHBondContact O-CD1 3.24Å; S24-I28 WeakPolarHBondContact O-CG1 3.1Å; S24-I28 PolarHBondContact O-N 2.92Å; G25-I28 PolarHBondContact O-N 2.85Å; I28-F30 VanDerWaalsContact C-N 3.3Å; I28-F30 PolarHBondContact O-N 3.21Å; I28-I31 WeakPolarHBondContact O-CB 3.38Å; I28-I31 PolarHBondContact O-N 3.24Å; I28-I31 VanDerWaalsContact O-N 3.12Å; I28-Q32 HydrophobicContact CG2-CG 4.34Å; I28-Q32 WeakPolarHBondContact O-CG 3.21Å; I28-Q32 PolarHBondContact O-N 2.61Å; I28-L53 HydrophobicContact CG2-CB 4.01Å; I28-L57 HydrophobicContact CD1-CB 4.17Å; I28-W314 HydrophobicContact CD1-CZ2 4.03Å; I28-W314 HydrophobicContact CG1-CH2 4.42Å; I28-W314 HydrophobicContact CG1-CZ2 3.99Å
29N98.4Very high97.4Very high7 Ų749.8 Ų49.84%0.03726%0.258CS..Hα-helixtrans-64.3-34.9178.8-72.5164.8000113G25 L26 I27 I31 Q32 L33 L131 W134 T135G25-N29 PolarHBondContact O-N 3.41Å; L26-N29 PolarHBondContact O-N 2.96Å; I27-N29 PolarHBondContact O-N 3.44Å; N29-I31 VanDerWaalsContact C-N 3.33Å; N29-Q32 PolarHBondContact ND2-OE1 3.33Å; N29-Q32 PolarHBondContact O-N 3.29Å; N29-L33 WeakPolarHBondContact O-CB 3.41Å; N29-L33 PolarHBondContact O-N 3.36Å; N29-L131 WeakPolarHBondContact OD1-CA 3.31Å; N29-L131 PolarHBondContact OD1-O 3.43Å; N29-W134 HydrophobicContact CB-CE3 4.18Å; N29-W134 VanDerWaalsContact OD1-CE3 3.32Å; N29-T135 PolarHBondContact ND2-OG1 2.89Å
30F98.4Very high97.5Very high134 Ų13451.4 Ų51.459%0.58828%0.276SS*.Hα-helixtrans-62-43.2172.5178.5-101.6000111.3L26 I27 I28 L33 C34L26-F30 WeakPolarHBondContact O-CB 3.46Å; L26-F30 PolarHBondContact O-N 3.38Å; I27-F30 WeakPolarHBondContact O-CB 3.27Å; I27-F30 PolarHBondContact O-N 3.36Å; I28-F30 VanDerWaalsContact C-N 3.3Å; I28-F30 PolarHBondContact O-N 3.21Å; F30-L33 WeakPolarHBondContact O-CB 3.38Å; F30-L33 PolarHBondContact O-N 3.16Å; F30-C34 PolarHBondContact O-N 2.96Å; F30-C34 VanDerWaalsContact O-N 3.07Å; F30-C34 PolarHBondContact O-SG 3.13Å
31I98.5Very high97.5Very high70 Ų7058.2 Ų58.236%0.35931%0.31SS..Hα-helixtrans-62.8-44.4174-62.1164.9000110.4I27 I28 N29 L33 C34 T35 L53I27-I31 HydrophobicContact CG2-CD1 4.04Å; I27-I31 WeakPolarHBondContact O-CG1 3.43Å; I27-I31 PolarHBondContact O-N 3.44Å; I28-I31 WeakPolarHBondContact O-CB 3.38Å; I28-I31 PolarHBondContact O-N 3.24Å; I28-I31 VanDerWaalsContact O-N 3.12Å; N29-I31 VanDerWaalsContact C-N 3.33Å; I31-L33 VanDerWaalsContact C-N 3.31Å; I31-L33 PolarHBondContact O-N 3.43Å; I31-C34 CarbonylContact O-C 3.55Å; I31-C34 WeakPolarHBondContact O-CA 3.32Å; I31-C34 VanDerWaalsContact O-CB 3.31Å; I31-C34 WeakPolarHBondContact O-CB 3.43Å; I31-C34 PolarHBondContact O-N 2.92Å; I31-T35 WeakPolarHBondContact O-CG2 3.34Å; I31-T35 PolarHBondContact O-N 3.19Å; I31-L53 HydrophobicContact CB-CD1 4.46Å; I31-L53 HydrophobicContact CB-CD2 4.46Å; I31-L53 HydrophobicContact CG2-CD1 3.83Å; I31-L53 HydrophobicContact CG2-CD2 4Å
32Q98.4Very high97.5Very high0 Ų060.3 Ų60.30%032%0.323CS..Hα-helixtrans-60.2-40.2176.9-67.2-175.9-72.900112.3I28 N29 C34 T35 N50 L53 T135 F138I28-Q32 HydrophobicContact CG2-CG 4.34Å; I28-Q32 WeakPolarHBondContact O-CG 3.21Å; I28-Q32 PolarHBondContact O-N 2.61Å; N29-Q32 PolarHBondContact ND2-OE1 3.33Å; N29-Q32 PolarHBondContact O-N 3.29Å; Q32-C34 VanDerWaalsContact C-N 3.29Å; Q32-C34 PolarHBondContact O-N 3.19Å; Q32-T35 WeakPolarHBondContact O-CB 3.33Å; Q32-T35 PolarHBondContact O-N 3.09Å; Q32-T35 PolarHBondContact O-OG1 3.37Å; Q32-N50 VanDerWaalsContact CG-OD1 3.24Å; Q32-N50 WeakPolarHBondContact CG-OD1 3.14Å; Q32-N50 PolarHBondContact NE2-OD1 3.02Å; Q32-L53 HydrophobicContact CB-CD1 4.48Å; Q32-L53 HydrophobicContact CG-CB 3.98Å; Q32-L53 HydrophobicContact CG-CD1 3.56Å; Q32-L53 HydrophobicContact CG-CG 4.38Å; Q32-T135 PolarHBondContact OE1-OG1 2.76Å; Q32-F138 HydrophobicContact CB-CB 4.23Å; Q32-F138 HydrophobicContact CB-CD1 4.2Å; Q32-F138 HydrophobicContact CB-CD2 3.39Å; Q32-F138 HydrophobicContact CB-CE1 4.44Å; Q32-F138 HydrophobicContact CB-CE2 3.69Å; Q32-F138 HydrophobicContact CB-CG 3.69Å; Q32-F138 HydrophobicContact CB-CZ 4.21Å; Q32-F138 HydrophobicContact CG-CD2 4.19Å; Q32-F138 HydrophobicContact CG-CG 4.5Å
33L98.2Very high97.6Very high92 Ų9259.7 Ų59.748%0.48232%0.315SS..Hα-helixtrans-58.3-44.3172.4-177.668.4000110.9N29 F30 I31 T35 L36 F138N29-L33 WeakPolarHBondContact O-CB 3.41Å; N29-L33 PolarHBondContact O-N 3.36Å; F30-L33 WeakPolarHBondContact O-CB 3.38Å; F30-L33 PolarHBondContact O-N 3.16Å; I31-L33 VanDerWaalsContact C-N 3.31Å; I31-L33 PolarHBondContact O-N 3.43Å; L33-T35 PolarHBondContact O-N 3.35Å; L33-L36 HydrophobicContact CD1-CD1 3.74Å; L33-L36 WeakPolarHBondContact O-CB 3.32Å; L33-L36 WeakPolarHBondContact O-CG 3.27Å; L33-L36 PolarHBondContact O-N 3.23Å; L33-L36 VanDerWaalsContact O-N 3.17Å; L33-F138 HydrophobicContact CB-CZ 4Å; L33-F138 HydrophobicContact CD1-CZ 4.19Å
34C98.1Very high97.6Very high65 Ų6560.5 Ų60.544%0.43932%0.316SS..Hα-helixtrans-63-30175.2-61.10000112.3F30 I31 Q32 L36 V37F30-C34 PolarHBondContact O-N 2.96Å; F30-C34 VanDerWaalsContact O-N 3.07Å; F30-C34 PolarHBondContact O-SG 3.13Å; I31-C34 CarbonylContact O-C 3.55Å; I31-C34 WeakPolarHBondContact O-CA 3.32Å; I31-C34 VanDerWaalsContact O-CB 3.31Å; I31-C34 WeakPolarHBondContact O-CB 3.43Å; I31-C34 PolarHBondContact O-N 2.92Å; Q32-C34 VanDerWaalsContact C-N 3.29Å; Q32-C34 PolarHBondContact O-N 3.19Å; C34-L36 PolarHBondContact O-N 3.45Å; C34-V37 WeakPolarHBondContact O-CG2 3.36Å
35T97.9Very high97.6Very high9 Ų965.3 Ų65.36%0.05534%0.337CS..Hα-helixtrans-66.5-15.417770.90000113.8I31 Q32 L33 V37 L38 Y46 V49 N50 L53I31-T35 WeakPolarHBondContact O-CG2 3.34Å; I31-T35 PolarHBondContact O-N 3.19Å; Q32-T35 WeakPolarHBondContact O-CB 3.33Å; Q32-T35 PolarHBondContact O-N 3.09Å; Q32-T35 PolarHBondContact O-OG1 3.37Å; L33-T35 PolarHBondContact O-N 3.35Å; T35-V37 PolarHBondContact O-N 3.41Å; T35-L38 HydrophobicContact CG2-CD1 4.47Å; T35-L38 WeakPolarHBondContact O-CA 3.21Å; T35-L38 WeakPolarHBondContact O-CB 3.47Å; T35-L38 PolarHBondContact O-N 3.08Å; T35-Y46 VanDerWaalsContact O-CD2 3.3Å; T35-Y46 WeakPolarHBondContact O-CD2 3.27Å; T35-Y46 VanDerWaalsContact OG1-CE2 3.25Å; T35-Y46 WeakPolarHBondContact OG1-CE2 3.34Å; T35-V49 HydrophobicContact CG2-CG1 3.82Å; T35-N50 PolarHBondContact OG1-ND2 3.19Å; T35-L53 HydrophobicContact CG2-CD1 4.09Å
36L96.9Very high97.7Very high70 Ų7065.6 Ų65.637%0.36634%0.338SS..G310 helixtrans-55.5-28.2179.1-71.2177.9000113.3L33 C34 L38 W39 P40 Y46 F138L33-L36 HydrophobicContact CD1-CD1 3.74Å; L33-L36 WeakPolarHBondContact O-CB 3.32Å; L33-L36 WeakPolarHBondContact O-CG 3.27Å; L33-L36 PolarHBondContact O-N 3.23Å; L33-L36 VanDerWaalsContact O-N 3.17Å; C34-L36 PolarHBondContact O-N 3.45Å; L36-L38 PolarHBondContact O-N 3.09Å; L36-W39 VanDerWaalsContact O-CB 3.29Å; L36-W39 WeakPolarHBondContact O-CB 3.4Å; L36-W39 PolarHBondContact O-N 2.85Å; L36-W39 VanDerWaalsContact O-N 3.1Å; L36-P40 WeakPolarHBondContact O-CD 3.31Å; L36-Y46 HydrophobicContact CD2-CE2 4.18Å; L36-F138 HydrophobicContact CD1-CE1 4.22Å; L36-F138 HydrophobicContact CD2-CD1 4.19Å; L36-F138 HydrophobicContact CD2-CE1 4.02Å; L36-F138 HydrophobicContact CG-CE1 4.04Å
37V97.1Very high97.7Very high102 Ų10261.6 Ų61.662%0.61832%0.317SS*.G310 helixtrans-62.6-25.5174.5-53.90000112.8C34 T35 I41C34-V37 WeakPolarHBondContact O-CG2 3.36Å; T35-V37 PolarHBondContact O-N 3.41Å; V37-I41 WeakPolarHBondContact O-CD1 3.44Å
38L96.4Very high97.7Very high45 Ų4564.6 Ų64.624%0.23632%0.324CS..G310 helixtrans-78.2-23.4177.3-56.3175.4000112.2T35 L36 I41 N42 F45T35-L38 HydrophobicContact CG2-CD1 4.47Å; T35-L38 WeakPolarHBondContact O-CA 3.21Å; T35-L38 WeakPolarHBondContact O-CB 3.47Å; T35-L38 PolarHBondContact O-N 3.08Å; L36-L38 PolarHBondContact O-N 3.09Å; L38-I41 PolarHBondContact O-N 2.96Å; L38-N42 CarbonylContact O-C 3.52Å; L38-N42 VanDerWaalsContact O-C 3.28Å; L38-N42 PolarHBondContact O-N 2.82Å; L38-F45 HydrophobicContact CD1-CD1 3.87Å; L38-F45 HydrophobicContact CD1-CE1 3.77Å; L38-F45 HydrophobicContact CD2-CD1 4.27Å; L38-F45 HydrophobicContact CD2-CE1 4.27Å
39W94.9Very high97.7Very high85 Ų8566.3 Ų66.332%0.32234%0.335SS..THydrogen-bonded Turntrans-56-52.7-175.7-176.7-88.9000113.4L36 I41 K43 Y46 R47 E140L36-W39 VanDerWaalsContact O-CB 3.29Å; L36-W39 WeakPolarHBondContact O-CB 3.4Å; L36-W39 PolarHBondContact O-N 2.85Å; L36-W39 VanDerWaalsContact O-N 3.1Å; W39-I41 VanDerWaalsContact C-N 3.33Å; W39-I41 PolarHBondContact O-N 2.81Å; W39-K43 HydrophobicContact CD2-CG 4.38Å; W39-K43 HydrophobicContact CE3-CG 4.3Å; W39-K43 HydrophobicContact CH2-CD 4.07Å; W39-K43 VanDerWaalsContact CH2-CE 3.5Å; W39-K43 HydrophobicContact CH2-CG 3.61Å; W39-K43 HydrophobicContact CZ2-CD 4.02Å; W39-K43 HydrophobicContact CZ2-CG 3.83Å; W39-K43 HydrophobicContact CZ3-CG 3.92Å; W39-K43 PolarHBondContact O-N 3.01Å; W39-Y46 HydrophobicContact CB-CD2 4.19Å; W39-Y46 HydrophobicContact CB-CG 4.46Å; W39-Y46 HydrophobicContact CD2-CD1 4.42Å; W39-Y46 AromaticContact CE3-CD1 3.14Å; W39-Y46 HydrophobicContact CE3-CD1 3.14Å; W39-Y46 HydrophobicContact CE3-CD2 4.01Å; W39-Y46 AromaticContact CE3-CE1 3.25Å; W39-Y46 HydrophobicContact CE3-CE1 3.25Å; W39-Y46 HydrophobicContact CE3-CE2 4.08Å; W39-Y46 AromaticContact CE3-CG 3.56Å; W39-Y46 HydrophobicContact CE3-CG 3.56Å; W39-Y46 AromaticContact CE3-CZ 3.72Å; W39-Y46 AromaticContact CZ3-CD1 3.29Å; W39-Y46 HydrophobicContact CZ3-CD1 3.29Å; W39-Y46 AromaticContact CZ3-CE1 3.3Å; W39-Y46 HydrophobicContact CZ3-CE1 3.3Å; W39-Y46 HydrophobicContact CZ3-CG 4.16Å; W39-R47 HydrophobicContact CZ3-CG 4.47Å; W39-E140 HydrophobicContact CH2-CG 4.03Å; W39-E140 WeakPolarHBondContact CH2-OE1 3.44Å; W39-E140 WeakPolarHBondContact CH2-OE2 3.29Å; W39-E140 HydrophobicContact CZ3-CG 4.2Å
40P96.7Very high97.7Very high107 Ų10766 Ų6670%0.69533%0.333SS*.THydrogen-bonded Turntrans-73.4-21.6178.929.5-36.1000113.8L36L36-P40 WeakPolarHBondContact O-CD 3.31Å
41I97.4Very high97.7Very high142 Ų14259.8 Ų59.873%0.72831%0.307SS*.THydrogen-bonded Turntrans-84.9-49.8-177.2-57.4173.1000110.6V37 L38 W39V37-I41 WeakPolarHBondContact O-CD1 3.44Å; L38-I41 PolarHBondContact O-N 2.96Å; W39-I41 VanDerWaalsContact C-N 3.33Å; W39-I41 PolarHBondContact O-N 2.81Å
42N97.5Very high97.7Very high80 Ų8064.6 Ų64.643%0.42832%0.32SS..  trans-15486.6-179-170.9-27.2000110.2L38 Q44 F45 Y46L38-N42 CarbonylContact O-C 3.52Å; L38-N42 VanDerWaalsContact O-C 3.28Å; L38-N42 PolarHBondContact O-N 2.82Å; N42-Q44 PolarHBondContact O-N 3.25Å; N42-Q44 PolarHBondContact OD1-N 3.1Å; N42-F45 HydrophobicContact CB-CB 3.96Å; N42-F45 PolarHBondContact O-N 3.05Å; N42-F45 VanDerWaalsContact O-N 3.13Å; N42-F45 PolarHBondContact OD1-N 3.01Å; N42-Y46 PolarHBondContact O-N 3.13Å
43K96.9Very high97.7Very high56 Ų5665.9 Ų65.924%0.24333%0.327CS..Hα-helixtrans-50.8-38.6176.4-173.2-169.9178.9-150.70113.2W39 Y46 R47 D164W39-K43 HydrophobicContact CD2-CG 4.38Å; W39-K43 HydrophobicContact CE3-CG 4.3Å; W39-K43 HydrophobicContact CH2-CD 4.07Å; W39-K43 VanDerWaalsContact CH2-CE 3.5Å; W39-K43 HydrophobicContact CH2-CG 3.61Å; W39-K43 HydrophobicContact CZ2-CD 4.02Å; W39-K43 HydrophobicContact CZ2-CG 3.83Å; W39-K43 HydrophobicContact CZ3-CG 3.92Å; W39-K43 PolarHBondContact O-N 3.01Å; K43-Y46 WeakPolarHBondContact O-CB 3.37Å; K43-Y46 PolarHBondContact O-N 3.34Å; K43-R47 VanDerWaalsContact O-CG 3.31Å; K43-R47 WeakPolarHBondContact O-CG 3.29Å; K43-R47 PolarHBondContact O-N 3.27Å; K43-D164 IonicContact NZ-OD1 3.21Å; K43-D164 PolarHBondContact NZ-OD1 3.03Å; K43-D164 VanDerWaalsContact NZ-OD1 3.16Å; K43-D164 IonicContact NZ-OD2 3.69Å; K43-D164 PolarHBondContact NZ-OD2 3.42Å
44Q97.8Very high97.7Very high55 Ų5561.5 Ų61.526%0.25730%0.304SS..Hα-helixtrans-70.7-40.6-178.3-61.2-60.6-15.400111.6N42 R47 R48 D164 P166N42-Q44 PolarHBondContact O-N 3.25Å; N42-Q44 PolarHBondContact OD1-N 3.1Å; Q44-R47 PolarHBondContact O-N 2.67Å; Q44-R48 WeakPolarHBondContact O-CG 3.49Å; Q44-R48 PolarHBondContact O-N 2.92Å; Q44-R48 VanDerWaalsContact O-N 3.09Å; Q44-D164 PolarHBondContact NE2-O 2.81Å; Q44-D164 PolarHBondContact NE2-OD2 3.11Å; Q44-D164 VanDerWaalsContact NE2-OD2 3.12Å; Q44-D164 PolarHBondContact OE1-O 2.74Å; Q44-P166 VanDerWaalsContact OE1-CB 3.24Å
45F98.2Very high97.8Very high102 Ų10260.7 Ų60.745%0.44729%0.292SS..Hα-helixtrans-65.2-44.2173.1-177.3-118.6000111.7L38 N42 R47 R48 V49L38-F45 HydrophobicContact CD1-CD1 3.87Å; L38-F45 HydrophobicContact CD1-CE1 3.77Å; L38-F45 HydrophobicContact CD2-CD1 4.27Å; L38-F45 HydrophobicContact CD2-CE1 4.27Å; N42-F45 HydrophobicContact CB-CB 3.96Å; N42-F45 PolarHBondContact O-N 3.05Å; N42-F45 VanDerWaalsContact O-N 3.13Å; N42-F45 PolarHBondContact OD1-N 3.01Å; F45-R47 VanDerWaalsContact C-N 3.27Å; F45-R47 PolarHBondContact O-N 2.9Å; F45-R48 PolarHBondContact O-N 3.41Å; F45-V49 HydrophobicContact CD1-CG2 4.42Å; F45-V49 HydrophobicContact CD2-CG2 4.2Å; F45-V49 HydrophobicContact CE1-CG2 4.03Å; F45-V49 HydrophobicContact CE2-CG2 3.79Å; F45-V49 HydrophobicContact CG-CG2 4.5Å; F45-V49 HydrophobicContact CZ-CG2 3.7Å; F45-V49 WeakPolarHBondContact O-CG2 3.48Å; F45-V49 PolarHBondContact O-N 2.89Å
46Y98.4Very high97.8Very high5 Ų561 Ų612%0.0230%0.295CS..Hα-helixtrans-50.5-48.6172166.5-81.6000111.7T35 L36 W39 N42 K43 V49 N50 F138T35-Y46 VanDerWaalsContact O-CD2 3.3Å; T35-Y46 WeakPolarHBondContact O-CD2 3.27Å; T35-Y46 VanDerWaalsContact OG1-CE2 3.25Å; T35-Y46 WeakPolarHBondContact OG1-CE2 3.34Å; L36-Y46 HydrophobicContact CD2-CE2 4.18Å; W39-Y46 HydrophobicContact CB-CD2 4.19Å; W39-Y46 HydrophobicContact CB-CG 4.46Å; W39-Y46 HydrophobicContact CD2-CD1 4.42Å; W39-Y46 AromaticContact CE3-CD1 3.14Å; W39-Y46 HydrophobicContact CE3-CD1 3.14Å; W39-Y46 HydrophobicContact CE3-CD2 4.01Å; W39-Y46 AromaticContact CE3-CE1 3.25Å; W39-Y46 HydrophobicContact CE3-CE1 3.25Å; W39-Y46 HydrophobicContact CE3-CE2 4.08Å; W39-Y46 AromaticContact CE3-CG 3.56Å; W39-Y46 HydrophobicContact CE3-CG 3.56Å; W39-Y46 AromaticContact CE3-CZ 3.72Å; W39-Y46 AromaticContact CZ3-CD1 3.29Å; W39-Y46 HydrophobicContact CZ3-CD1 3.29Å; W39-Y46 AromaticContact CZ3-CE1 3.3Å; W39-Y46 HydrophobicContact CZ3-CE1 3.3Å; W39-Y46 HydrophobicContact CZ3-CG 4.16Å; N42-Y46 PolarHBondContact O-N 3.13Å; K43-Y46 WeakPolarHBondContact O-CB 3.37Å; K43-Y46 PolarHBondContact O-N 3.34Å; Y46-V49 PolarHBondContact O-N 3.08Å; Y46-N50 WeakPolarHBondContact CD2-ND2 3.24Å; Y46-N50 HydrophobicContact CE1-CB 4.46Å; Y46-N50 WeakPolarHBondContact CE1-ND2 3.47Å; Y46-N50 WeakPolarHBondContact CE2-ND2 3.38Å; Y46-N50 WeakPolarHBondContact O-CB 3.49Å; Y46-N50 PolarHBondContact O-N 2.89Å; Y46-N50 PolarHBondContact O-ND2 3.44Å; Y46-F138 WeakPolarHBondContact CE1-O 3.41Å; Y46-F138 WeakPolarHBondContact OH-CA 3.34Å; Y46-F138 WeakPolarHBondContact OH-CD1 3.41Å; Y46-F138 PolarHBondContact OH-O 3.07Å
47R98.3Very high97.8Very high0 Ų057.7 Ų57.70%028%0.277CS..Hα-helixtrans-63.8-45.3-177.8-76.7171170.5-174.2-14.5112W39 K43 Q44 F45 N50 C51 E140 R161 D164 Y165 P166W39-R47 HydrophobicContact CZ3-CG 4.47Å; K43-R47 VanDerWaalsContact O-CG 3.31Å; K43-R47 WeakPolarHBondContact O-CG 3.29Å; K43-R47 PolarHBondContact O-N 3.27Å; Q44-R47 PolarHBondContact O-N 2.67Å; F45-R47 VanDerWaalsContact C-N 3.27Å; F45-R47 PolarHBondContact O-N 2.9Å; R47-N50 PolarHBondContact O-N 3.02Å; R47-C51 PolarHBondContact O-N 3.02Å; R47-C51 PolarHBondContact O-SG 3.46Å; R47-C51 VanDerWaalsContact O-SG 3.42Å; R47-E140 IonicContact CZ-OE1 3.31Å; R47-E140 IonicContact CZ-OE2 3.8Å; R47-E140 VanDerWaalsContact CZ-OE2 3.25Å; R47-E140 IonicContact NE-OE1 3.51Å; R47-E140 IonicContact NE-OE2 3.97Å; R47-E140 PolarHBondContact NE-OE2 3.27Å; R47-E140 IonicContact NH2-OE1 3.16Å; R47-E140 PolarHBondContact NH2-OE1 3.47Å; R47-E140 IonicContact NH2-OE2 3.34Å; R47-E140 PolarHBondContact NH2-OE2 3.28Å; R47-R161 PolarHBondContact NH2-O 3.41Å; R47-D164 IonicContact CZ-OD1 2.68Å; R47-D164 PolarHBondContact NH1-O 3.17Å; R47-D164 VanDerWaalsContact NH1-O 3.1Å; R47-D164 IonicContact NH1-OD1 3.2Å; R47-D164 PolarHBondContact NH1-OD1 3.33Å; R47-D164 IonicContact NH1-OD2 3.79Å; R47-D164 PolarHBondContact NH1-OD2 2.84Å; R47-D164 IonicContact NH2-OD1 2.95Å; R47-D164 PolarHBondContact NH2-OD1 3.02Å; R47-Y165 HydrophobicContact CB-CE2 4.24Å; R47-Y165 HydrophobicContact CG-CD2 4.37Å; R47-Y165 HydrophobicContact CG-CE2 3.83Å; R47-P166 HydrophobicContact CB-CG 3.78Å
48R98.4Very high97.9Very high129 Ų12952.9 Ų52.949%0.48725%0.248SC..Hα-helixtrans-60.2-46.8177.6-70.8179.3-177.2164.93111.3Q44 F45 C51 R52 P166 E167Q44-R48 WeakPolarHBondContact O-CG 3.49Å; Q44-R48 PolarHBondContact O-N 2.92Å; Q44-R48 VanDerWaalsContact O-N 3.09Å; F45-R48 PolarHBondContact O-N 3.41Å; R48-C51 WeakPolarHBondContact O-CB 3.16Å; R48-C51 PolarHBondContact O-N 2.85Å; R48-R52 WeakPolarHBondContact O-CG 3.3Å; R48-R52 PolarHBondContact O-N 3.21Å; R48-P166 HydrophobicContact CG-CB 4.24Å; R48-P166 HydrophobicContact CG-CG 3.89Å; R48-E167 HydrophobicContact CG-CG 4.4Å
49V98.5Very high98Very high38 Ų3850.8 Ų50.823%0.2324%0.237CC..Hα-helixtrans-60.2-48.6177.21740000110.6T35 F45 Y46 C51 R52 L53T35-V49 HydrophobicContact CG2-CG1 3.82Å; F45-V49 HydrophobicContact CD1-CG2 4.42Å; F45-V49 HydrophobicContact CD2-CG2 4.2Å; F45-V49 HydrophobicContact CE1-CG2 4.03Å; F45-V49 HydrophobicContact CE2-CG2 3.79Å; F45-V49 HydrophobicContact CG-CG2 4.5Å; F45-V49 HydrophobicContact CZ-CG2 3.7Å; F45-V49 WeakPolarHBondContact O-CG2 3.48Å; F45-V49 PolarHBondContact O-N 2.89Å; Y46-V49 PolarHBondContact O-N 3.08Å; V49-C51 VanDerWaalsContact C-N 3.3Å; V49-C51 PolarHBondContact O-N 3.16Å; V49-R52 PolarHBondContact O-N 2.77Å; V49-L53 HydrophobicContact CG1-CD1 3.92Å; V49-L53 HydrophobicContact CG1-CG 4.38Å; V49-L53 WeakPolarHBondContact O-CG 3.45Å; V49-L53 PolarHBondContact O-N 2.76Å
50N98.6Very high98.2Very high0 Ų047 Ų470%022%0.223CC..Hα-helixtrans-63.7-33.3179.4-84.1-76.4000113.1Q32 T35 Y46 R47 R52 L53 A54 L139Q32-N50 VanDerWaalsContact CG-OD1 3.24Å; Q32-N50 WeakPolarHBondContact CG-OD1 3.14Å; Q32-N50 PolarHBondContact NE2-OD1 3.02Å; T35-N50 PolarHBondContact OG1-ND2 3.19Å; Y46-N50 WeakPolarHBondContact CD2-ND2 3.24Å; Y46-N50 HydrophobicContact CE1-CB 4.46Å; Y46-N50 WeakPolarHBondContact CE1-ND2 3.47Å; Y46-N50 WeakPolarHBondContact CE2-ND2 3.38Å; Y46-N50 WeakPolarHBondContact O-CB 3.49Å; Y46-N50 PolarHBondContact O-N 2.89Å; Y46-N50 PolarHBondContact O-ND2 3.44Å; R47-N50 PolarHBondContact O-N 3.02Å; N50-R52 VanDerWaalsContact C-N 3.34Å; N50-R52 PolarHBondContact O-N 2.99Å; N50-L53 PolarHBondContact O-N 2.88Å; N50-A54 WeakPolarHBondContact O-CB 3.48Å; N50-A54 PolarHBondContact O-N 3.04Å; N50-L139 HydrophobicContact CB-CD2 4.33Å
51C98.6Very high98.2Very high4 Ų443.5 Ų43.53%0.02720%0.198CC..Hα-helixtrans-62.2-38.8171-79.10000112.6R47 R48 V49 Y55 G116 Y165 E167R47-C51 PolarHBondContact O-N 3.02Å; R47-C51 PolarHBondContact O-SG 3.46Å; R47-C51 VanDerWaalsContact O-SG 3.42Å; R48-C51 WeakPolarHBondContact O-CB 3.16Å; R48-C51 PolarHBondContact O-N 2.85Å; V49-C51 VanDerWaalsContact C-N 3.3Å; V49-C51 PolarHBondContact O-N 3.16Å; C51-Y55 WeakPolarHBondContact O-CB 3.38Å; C51-Y55 PolarHBondContact O-N 2.95Å; C51-G116 WeakPolarHBondContact CA-O 3.47Å; C51-G116 VanDerWaalsContact O-CA 3.31Å; C51-G116 WeakPolarHBondContact O-CA 3.46Å; C51-G116 PolarHBondContact SG-O 3.25Å; C51-Y165 PolarHBondContact SG-OH 2.86Å; C51-E167 HydrophobicContact CB-CG 4.46Å
52R98.4Very high98.3Very high170 Ų17036.7 Ų36.764%0.64216%0.163SC*.Hα-helixtrans-71.8-38.4176.8-55.8-47.1172.6110.2-5.8112.4R48 V49 N50 Y55 S56 E167R48-R52 WeakPolarHBondContact O-CG 3.3Å; R48-R52 PolarHBondContact O-N 3.21Å; V49-R52 PolarHBondContact O-N 2.77Å; N50-R52 VanDerWaalsContact C-N 3.34Å; N50-R52 PolarHBondContact O-N 2.99Å; R52-Y55 WeakPolarHBondContact O-CB 3.45Å; R52-Y55 PolarHBondContact O-N 2.99Å; R52-S56 PolarHBondContact O-N 3.21Å; R52-S56 VanDerWaalsContact O-N 3.1Å; R52-E167 IonicContact NH2-OE1 3.89Å
53L98.6Very high98.3Very high28 Ų2833.3 Ų33.315%0.14715%0.145CC..Hα-helixtrans-63.8-45.7174.2-69.9173.1000111.2I28 I31 Q32 T35 V49 N50 Y55 S56 L57I28-L53 HydrophobicContact CG2-CB 4.01Å; I31-L53 HydrophobicContact CB-CD1 4.46Å; I31-L53 HydrophobicContact CB-CD2 4.46Å; I31-L53 HydrophobicContact CG2-CD1 3.83Å; I31-L53 HydrophobicContact CG2-CD2 4Å; Q32-L53 HydrophobicContact CB-CD1 4.48Å; Q32-L53 HydrophobicContact CG-CB 3.98Å; Q32-L53 HydrophobicContact CG-CD1 3.56Å; Q32-L53 HydrophobicContact CG-CG 4.38Å; T35-L53 HydrophobicContact CG2-CD1 4.09Å; V49-L53 HydrophobicContact CG1-CD1 3.92Å; V49-L53 HydrophobicContact CG1-CG 4.38Å; V49-L53 WeakPolarHBondContact O-CG 3.45Å; V49-L53 PolarHBondContact O-N 2.76Å; N50-L53 PolarHBondContact O-N 2.88Å; L53-Y55 PolarHBondContact O-N 3.23Å; L53-S56 WeakPolarHBondContact O-CB 2.99Å; L53-S56 PolarHBondContact O-N 3.02Å; L53-L57 PolarHBondContact O-N 3.41Å
54A98.5Very high98.3Very high0 Ų031.5 Ų31.50%014%0.138CC..Hα-helixtrans-61.5-42.7174.700000112.7N50 S56 L57 W58 T135 L139N50-A54 WeakPolarHBondContact O-CB 3.48Å; N50-A54 PolarHBondContact O-N 3.04Å; A54-S56 VanDerWaalsContact C-N 3.29Å; A54-S56 PolarHBondContact O-N 3.33Å; A54-L57 PolarHBondContact O-N 3.06Å; A54-W58 VanDerWaalsContact O-CG 3.25Å; A54-W58 PolarHBondContact O-N 2.55Å; A54-T135 HydrophobicContact CB-CG2 3.78Å; A54-L139 HydrophobicContact CB-CD1 3.64Å; A54-L139 HydrophobicContact CB-CD2 3.84Å; A54-L139 HydrophobicContact CB-CG 4.03Å
55Y98.7Very high98.3Very high48 Ų4828.9 Ų28.919%0.18813%0.126CC..Hα-helixtrans-53.1-48.1172.8175.9-85.6000111.5C51 R52 L53 L57 W58 S59 E110 L115 W306C51-Y55 WeakPolarHBondContact O-CB 3.38Å; C51-Y55 PolarHBondContact O-N 2.95Å; R52-Y55 WeakPolarHBondContact O-CB 3.45Å; R52-Y55 PolarHBondContact O-N 2.99Å; L53-Y55 PolarHBondContact O-N 3.23Å; Y55-L57 PolarHBondContact O-N 3.35Å; Y55-W58 PolarHBondContact O-N 3.03Å; Y55-S59 WeakPolarHBondContact O-CB 3.38Å; Y55-S59 PolarHBondContact O-N 3.12Å; Y55-S59 PolarHBondContact O-OG 2.74Å; Y55-E110 WeakPolarHBondContact CE2-OE2 3.42Å; Y55-E110 VanDerWaalsContact OH-CD 3.31Å; Y55-E110 PolarHBondContact OH-OE1 2.88Å; Y55-E110 PolarHBondContact OH-OE2 2.94Å; Y55-L115 HydrophobicContact CD2-CB 4.06Å; Y55-L115 HydrophobicContact CD2-CD2 4.09Å; Y55-L115 HydrophobicContact CD2-CG 4.4Å; Y55-L115 HydrophobicContact CE2-CB 4.36Å; Y55-L115 HydrophobicContact CE2-CD2 4.16Å; Y55-W306 WeakPolarHBondContact OH-CB 3.24Å
56S98.6Very high98.3Very high16 Ų1624 Ų2411%0.11210%0.104CC..Hα-helixtrans-58-33.1178.5177.10000112.7R52 L53 A54 S59 Q60 N310 W314R52-S56 PolarHBondContact O-N 3.21Å; R52-S56 VanDerWaalsContact O-N 3.1Å; L53-S56 WeakPolarHBondContact O-CB 2.99Å; L53-S56 PolarHBondContact O-N 3.02Å; A54-S56 VanDerWaalsContact C-N 3.29Å; A54-S56 PolarHBondContact O-N 3.33Å; S56-S59 PolarHBondContact O-OG 3.37Å; S56-S59 VanDerWaalsContact O-OG 3.13Å; S56-Q60 PolarHBondContact O-NE2 3.3Å; S56-N310 PolarHBondContact O-ND2 3.14Å; S56-N310 PolarHBondContact OG-OD1 3.31Å; S56-W314 PolarHBondContact OG-NE1 3.23Å
57L98.3Very high98.3Very high0 Ų028.2 Ų28.20%012%0.12CC..Hα-helixtrans-78.8-51.6175.5-173.758.3000112.9F21 I28 L53 A54 Y55 S59 Q60 T135F21-L57 HydrophobicContact CD2-CD1 3.94Å; F21-L57 HydrophobicContact CE2-CD1 3.45Å; F21-L57 VanDerWaalsContact CE2-CD1 3.45Å; F21-L57 HydrophobicContact CE2-CG 4.11Å; F21-L57 HydrophobicContact CZ-CD1 3.9Å; F21-L57 HydrophobicContact CZ-CG 4.43Å; I28-L57 HydrophobicContact CD1-CB 4.17Å; L53-L57 PolarHBondContact O-N 3.41Å; A54-L57 PolarHBondContact O-N 3.06Å; Y55-L57 PolarHBondContact O-N 3.35Å; L57-S59 VanDerWaalsContact C-N 3.31Å; L57-S59 PolarHBondContact O-N 3.23Å; L57-Q60 PolarHBondContact O-N 2.64Å; L57-T135 HydrophobicContact CD2-CG2 4.43Å; L57-T135 VanDerWaalsContact CD2-OG1 3.28Å; L57-T135 WeakPolarHBondContact CD2-OG1 3.45Å
58W98.1Very high98.2Very high1 Ų130.5 Ų30.50%0.00413%0.129CC..Hα-helixtrans-65.2-35.2-177.1-53.7146.3000112.9A54 Y55 Q60 L61 V62 W106 L115 I132 T135 W136A54-W58 VanDerWaalsContact O-CG 3.25Å; A54-W58 PolarHBondContact O-N 2.55Å; Y55-W58 PolarHBondContact O-N 3.03Å; W58-Q60 PolarHBondContact O-N 3.36Å; W58-Q60 VanDerWaalsContact O-N 3.14Å; W58-L61 PolarHBondContact O-N 3Å; W58-V62 PolarHBondContact O-N 2.96Å; W58-V62 VanDerWaalsContact O-N 3.09Å; W58-W106 HydrophobicContact CB-CE3 4.2Å; W58-W106 HydrophobicContact CB-CH2 4.46Å; W58-W106 HydrophobicContact CB-CZ3 4.08Å; W58-W106 AromaticContact CD2-CH2 3.55Å; W58-W106 HydrophobicContact CD2-CH2 3.55Å; W58-W106 HydrophobicContact CD2-CZ2 4.07Å; W58-W106 AromaticContact CD2-CZ3 3.95Å; W58-W106 HydrophobicContact CD2-CZ3 3.95Å; W58-W106 AromaticContact CE3-CH2 3.31Å; W58-W106 HydrophobicContact CE3-CH2 3.31Å; W58-W106 HydrophobicContact CE3-CZ2 4.25Å; W58-W106 AromaticContact CE3-CZ3 3.63Å; W58-W106 HydrophobicContact CE3-CZ3 3.63Å; W58-W106 HydrophobicContact CG-CH2 4.05Å; W58-W106 HydrophobicContact CG-CZ2 4.35Å; W58-W106 HydrophobicContact CG-CZ3 4.16Å; W58-W106 HydrophobicContact CH2-CH2 4.4Å; W58-W106 AromaticContact CZ3-CH2 3.78Å; W58-W106 HydrophobicContact CZ3-CH2 3.78Å; W58-W106 HydrophobicContact CZ3-CZ3 4.39Å; W58-L115 HydrophobicContact CB-CD1 3.87Å; W58-L115 HydrophobicContact CB-CD2 3.89Å; W58-L115 HydrophobicContact CB-CG 3.85Å; W58-I132 HydrophobicContact CH2-CB 4.3Å; W58-I132 HydrophobicContact CH2-CG2 3.87Å; W58-I132 HydrophobicContact CZ3-CB 4.45Å; W58-I132 HydrophobicContact CZ3-CG1 4.18Å; W58-I132 HydrophobicContact CZ3-CG2 4.14Å; W58-T135 HydrophobicContact CH2-CG2 4.07Å; W58-T135 HydrophobicContact CZ2-CG2 3.49Å; W58-T135 VanDerWaalsContact CZ2-CG2 3.49Å; W58-W136 AromaticContact CH2-CD1 3.76Å; W58-W136 AromaticContact CH2-NE1 3.49Å; W58-W136 AromaticContact CZ2-CD1 3.4Å; W58-W136 AromaticContact CZ2-NE1 3.32Å; W58-W136 VanDerWaalsContact CZ2-NE1 3.32Å
59S98.5Very high98.1Very high0 Ų024.5 Ų24.50%011%0.107CC..Hα-helixtrans-57.7-27.7178.864.30000112.8Y55 S56 L57 V62 M63 T307 N310Y55-S59 WeakPolarHBondContact O-CB 3.38Å; Y55-S59 PolarHBondContact O-N 3.12Å; Y55-S59 PolarHBondContact O-OG 2.74Å; S56-S59 PolarHBondContact O-OG 3.37Å; S56-S59 VanDerWaalsContact O-OG 3.13Å; L57-S59 VanDerWaalsContact C-N 3.31Å; L57-S59 PolarHBondContact O-N 3.23Å; S59-V62 PolarHBondContact O-N 2.78Å; S59-M63 VanDerWaalsContact O-CB 3.27Å; S59-M63 WeakPolarHBondContact O-CB 3.47Å; S59-M63 PolarHBondContact O-N 2.62Å; S59-T307 WeakPolarHBondContact O-CB 3.29Å; S59-N310 PolarHBondContact OG-ND2 3.29Å
60Q98.5Very high98Very high6 Ų623.6 Ų23.63%0.02811%0.105CC..Hα-helixtrans-69.9-35.6176.3-62.8-178.858.200112.5F21 S24 S56 L57 W58 M63 L64 F311F21-Q60 HydrophobicContact CD2-CB 4.1Å; S24-Q60 PolarHBondContact OG-NE2 3.32Å; S24-Q60 PolarHBondContact OG-OE1 2.96Å; S56-Q60 PolarHBondContact O-NE2 3.3Å; L57-Q60 PolarHBondContact O-N 2.64Å; W58-Q60 PolarHBondContact O-N 3.36Å; W58-Q60 VanDerWaalsContact O-N 3.14Å; Q60-M63 WeakPolarHBondContact O-CB 3.42Å; Q60-M63 PolarHBondContact O-N 3.41Å; Q60-L64 PolarHBondContact O-N 2.83Å; Q60-F311 HydrophobicContact CB-CD2 4.49Å; Q60-F311 HydrophobicContact CG-CD2 4.3Å
61L97.8Very high97.9Very high33 Ų3323.7 Ų23.717%0.17311%0.106CC..Hα-helixtrans-73-39.1174.1-65.4173.7000111F21 W58 M63 L64 L65 L103 W106F21-L61 HydrophobicContact CD2-CD2 4.44Å; F21-L61 HydrophobicContact CD2-CG 4.44Å; F21-L61 HydrophobicContact CE2-CD1 4Å; F21-L61 HydrophobicContact CE2-CD2 4.07Å; F21-L61 HydrophobicContact CE2-CG 3.77Å; F21-L61 HydrophobicContact CZ-CD1 4.02Å; F21-L61 HydrophobicContact CZ-CD2 4.34Å; F21-L61 HydrophobicContact CZ-CG 4.23Å; W58-L61 PolarHBondContact O-N 3Å; L61-M63 VanDerWaalsContact C-N 3.29Å; L61-M63 PolarHBondContact O-N 3.19Å; L61-L64 WeakPolarHBondContact O-CB 3.21Å; L61-L64 PolarHBondContact O-N 3.08Å; L61-L65 PolarHBondContact O-N 3.12Å; L61-L65 VanDerWaalsContact O-N 3.07Å; L61-L103 HydrophobicContact CB-CD1 3.77Å; L61-W106 HydrophobicContact CB-CZ3 4.47Å; L61-W106 HydrophobicContact CD1-CZ3 3.79Å
62V98.4Very high97.8Very high0 Ų026.1 Ų26.10%012%0.117CC..Hα-helixtrans-63.4-38.7172.3179.60000110.6W58 S59 L64 L65 E66 W106 E110 L115 T307W58-V62 PolarHBondContact O-N 2.96Å; W58-V62 VanDerWaalsContact O-N 3.09Å; S59-V62 PolarHBondContact O-N 2.78Å; V62-L64 VanDerWaalsContact C-N 3.31Å; V62-L64 PolarHBondContact O-N 3.26Å; V62-L65 PolarHBondContact O-N 3.34Å; V62-E66 HydrophobicContact CG1-CG 4.07Å; V62-E66 PolarHBondContact O-N 2.94Å; V62-W106 HydrophobicContact CG2-CB 3.89Å; V62-E110 HydrophobicContact CG1-CB 4.08Å; V62-E110 HydrophobicContact CG1-CG 4.18Å; V62-L115 HydrophobicContact CG2-CD1 4.21Å; V62-L115 HydrophobicContact CG2-CD2 4.01Å; V62-T307 HydrophobicContact CB-CG2 4.15Å; V62-T307 HydrophobicContact CG1-CG2 3.98Å
63M98.3Very high97.7Very high8 Ų818.2 Ų18.24%0.0399%0.087CC..Hα-helixtrans-59.5-44173.8-176.7-74.5-52.500111.5S59 Q60 L61 L65 E66 W67 W68 L308 F311S59-M63 VanDerWaalsContact O-CB 3.27Å; S59-M63 WeakPolarHBondContact O-CB 3.47Å; S59-M63 PolarHBondContact O-N 2.62Å; Q60-M63 WeakPolarHBondContact O-CB 3.42Å; Q60-M63 PolarHBondContact O-N 3.41Å; L61-M63 VanDerWaalsContact C-N 3.29Å; L61-M63 PolarHBondContact O-N 3.19Å; M63-L65 VanDerWaalsContact C-N 3.3Å; M63-L65 PolarHBondContact O-N 3.3Å; M63-E66 PolarHBondContact O-N 2.89Å; M63-W67 HydrophobicContact CG-CB 4.26Å; M63-W67 HydrophobicContact CG-CG 4.47Å; M63-W67 WeakPolarHBondContact O-CB 3.3Å; M63-W67 PolarHBondContact O-N 3.42Å; M63-W67 HydrophobicContact SD-CB 4.31Å; M63-W68 PolarHBondContact O-N 3.24Å; M63-W68 VanDerWaalsContact O-N 3.1Å; M63-W68 HydrophobicContact SD-CB 4.47Å; M63-L308 HydrophobicContact CG-CD1 4.32Å; M63-F311 HydrophobicContact CB-CB 4.43Å; M63-F311 HydrophobicContact CE-CB 3.87Å; M63-F311 HydrophobicContact CE-CD1 3.56Å; M63-F311 HydrophobicContact CE-CD2 3.34Å; M63-F311 HydrophobicContact CE-CE1 3.87Å; M63-F311 HydrophobicContact CE-CE2 3.65Å; M63-F311 HydrophobicContact CE-CG 3.28Å; M63-F311 HydrophobicContact CE-CZ 3.91Å; M63-F311 HydrophobicContact CG-CB 3.9Å; M63-F311 HydrophobicContact CG-CG 4.31Å; M63-F311 HydrophobicContact SD-CB 4.38Å; M63-F311 HydrophobicContact SD-CD1 4.07Å; M63-F311 HydrophobicContact SD-CG 4.14Å
64L97.8Very high97.7Very high18 Ų1816.9 Ų16.99%0.0948%0.081CC..Iπ-helixtrans-59.7-40.6176.8-16971.3000111.8I17 Q60 L61 V62 W68 S69 I243 L244I17-L64 HydrophobicContact CD1-CD1 4.49Å; I17-L64 HydrophobicContact CG2-CD1 4.23Å; Q60-L64 PolarHBondContact O-N 2.83Å; L61-L64 WeakPolarHBondContact O-CB 3.21Å; L61-L64 PolarHBondContact O-N 3.08Å; V62-L64 VanDerWaalsContact C-N 3.31Å; V62-L64 PolarHBondContact O-N 3.26Å; L64-W68 HydrophobicContact CD1-CB 3.96Å; L64-W68 VanDerWaalsContact CD1-CD1 3.47Å; L64-W68 HydrophobicContact CD1-CG 3.74Å; L64-W68 WeakPolarHBondContact O-CB 3.42Å; L64-S69 PolarHBondContact O-N 2.87Å; L64-I243 HydrophobicContact CD2-CG2 4.25Å; L64-I243 HydrophobicContact CG-CG2 3.83Å; L64-I243 VanDerWaalsContact O-CG2 3.29Å; L64-I243 WeakPolarHBondContact O-CG2 3.47Å; L64-L244 HydrophobicContact CD1-CD1 4.15Å; L64-L244 HydrophobicContact CD2-CD1 4.49Å
65L97.9Very high97.6Very high0 Ų017 Ų170%08%0.081CC..Iπ-helixtrans-71.5-51.7177.2-175.870.8000112.6L61 V62 M63 S69 T71 I100 L103 T107 I243L61-L65 PolarHBondContact O-N 3.12Å; L61-L65 VanDerWaalsContact O-N 3.07Å; V62-L65 PolarHBondContact O-N 3.34Å; M63-L65 VanDerWaalsContact C-N 3.3Å; M63-L65 PolarHBondContact O-N 3.3Å; L65-S69 PolarHBondContact O-OG 2.66Å; L65-T71 HydrophobicContact CD1-CG2 3.69Å; L65-T71 HydrophobicContact CG-CG2 4.12Å; L65-T71 WeakPolarHBondContact O-CB 3.34Å; L65-T71 PolarHBondContact O-N 2.82Å; L65-T71 VanDerWaalsContact O-N 3.1Å; L65-I100 HydrophobicContact CD1-CD1 4.16Å; L65-L103 HydrophobicContact CB-CD2 3.88Å; L65-L103 HydrophobicContact CB-CG 3.98Å; L65-L103 HydrophobicContact CD1-CD2 4.23Å; L65-L103 HydrophobicContact CD1-CG 4.49Å; L65-L103 HydrophobicContact CD2-CB 4.34Å; L65-L103 HydrophobicContact CD2-CD2 4.38Å; L65-L103 HydrophobicContact CD2-CG 3.79Å; L65-L103 WeakPolarHBondContact CD2-O 3.26Å; L65-L103 HydrophobicContact CG-CD2 4.39Å; L65-L103 HydrophobicContact CG-CG 4.3Å; L65-T107 WeakPolarHBondContact CD2-OG1 3.48Å; L65-I243 HydrophobicContact CD1-CD1 3.38Å; L65-I243 HydrophobicContact CD1-CG1 4.04Å
66E97.1Very high97.6Very high0 Ų014.8 Ų14.80%07%0.072CC..Iπ-helixtrans-82-47.2-169.5-66.6-162.2125.300113V62 M63 G70 T107 R111 R303V62-E66 HydrophobicContact CG1-CG 4.07Å; V62-E66 PolarHBondContact O-N 2.94Å; M63-E66 PolarHBondContact O-N 2.89Å; E66-G70 VanDerWaalsContact O-CA 3.31Å; E66-G70 WeakPolarHBondContact O-CA 3.45Å; E66-T107 HydrophobicContact CG-CG2 4.17Å; E66-T107 WeakPolarHBondContact OE1-CG2 3.47Å; E66-R111 IonicContact OE1-CZ 2.74Å; E66-R111 VanDerWaalsContact OE1-CZ 3.26Å; E66-R111 IonicContact OE1-NE 2.88Å; E66-R111 PolarHBondContact OE1-NE 3.38Å; E66-R111 IonicContact OE1-NH2 3.71Å; E66-R111 PolarHBondContact OE1-NH2 2.93Å; E66-R303 PolarHBondContact O-NH1 3.48Å; E66-R303 PolarHBondContact O-NH2 3.33Å
67W97.6Very high97.6Very high93 Ų9314.5 Ų14.535%0.3527%0.07SC..Iπ-helixtrans-95.4-42.6-170.4-62.992.2000111.6M63 R303 T307 L308M63-W67 HydrophobicContact CG-CB 4.26Å; M63-W67 HydrophobicContact CG-CG 4.47Å; M63-W67 WeakPolarHBondContact O-CB 3.3Å; M63-W67 PolarHBondContact O-N 3.42Å; M63-W67 HydrophobicContact SD-CB 4.31Å; W67-R303 HydrophobicContact CZ2-CB 4.02Å; W67-T307 PolarHBondContact NE1-OG1 3.09Å; W67-L308 HydrophobicContact CD2-CB 4.04Å; W67-L308 HydrophobicContact CD2-CD2 4.04Å; W67-L308 HydrophobicContact CE3-CD2 3.82Å; W67-L308 HydrophobicContact CG-CB 4.15Å; W67-L308 HydrophobicContact CH2-CD2 4.49Å; W67-L308 HydrophobicContact CZ2-CB 4.49Å; W67-L308 HydrophobicContact CZ3-CD2 4.06Å
68W97.3Very high97.5Very high48 Ų4818.1 Ų18.118%0.1829%0.089CC..Iπ-helixtrans-77.2-55-178.3178.9-96.7000112.6K8 V13 I17 M63 L64 L244K8-W68 HydrophobicContact CB-CZ2 3.97Å; K8-W68 WeakPolarHBondContact CE-O 3.48Å; K8-W68 HydrophobicContact CG-CD2 4.4Å; K8-W68 HydrophobicContact CG-CH2 3.77Å; K8-W68 HydrophobicContact CG-CZ2 3.52Å; K8-W68 HydrophobicContact CG-CZ3 4.35Å; K8-W68 PolarHBondContact NZ-O 3.47Å; V13-W68 HydrophobicContact CG1-CH2 3.49Å; V13-W68 VanDerWaalsContact CG1-CH2 3.49Å; V13-W68 HydrophobicContact CG1-CZ2 4.03Å; V13-W68 HydrophobicContact CG1-CZ3 4.39Å; I17-W68 HydrophobicContact CD1-CD2 4.11Å; I17-W68 HydrophobicContact CD1-CE3 4.26Å; I17-W68 HydrophobicContact CD1-CH2 3.96Å; I17-W68 HydrophobicContact CD1-CZ2 3.72Å; I17-W68 HydrophobicContact CD1-CZ3 4.21Å; M63-W68 PolarHBondContact O-N 3.24Å; M63-W68 VanDerWaalsContact O-N 3.1Å; M63-W68 HydrophobicContact SD-CB 4.47Å; L64-W68 HydrophobicContact CD1-CB 3.96Å; L64-W68 VanDerWaalsContact CD1-CD1 3.47Å; L64-W68 HydrophobicContact CD1-CG 3.74Å; L64-W68 WeakPolarHBondContact O-CB 3.42Å; W68-L244 PolarHBondContact NE1-O 2.9Å
69S96.7Very high97.4Very high4 Ų421.9 Ų21.93%0.02811%0.107CC..SBendtrans-81.5-17.4177.979.70000113.6L64 L65 T71 I243 K247 K248L64-S69 PolarHBondContact O-N 2.87Å; L65-S69 PolarHBondContact O-OG 2.66Å; S69-T71 PolarHBondContact O-N 2.96Å; S69-T71 PolarHBondContact OG-N 3.32Å; S69-T71 PolarHBondContact OG-OG1 3.21Å; S69-I243 WeakPolarHBondContact CB-O 3.3Å; S69-K247 WeakPolarHBondContact CB-O 3.49Å; S69-K248 WeakPolarHBondContact O-CA 3.42Å; S69-K248 WeakPolarHBondContact O-CB 3.38Å
70G96.5Very high97.3Very high19 Ų1925.1 Ų25.120%0.19613%0.134CC..  trans72.417.1-17700000113.3E66 K248 R303E66-G70 VanDerWaalsContact O-CA 3.31Å; E66-G70 WeakPolarHBondContact O-CA 3.45Å; G70-K248 WeakPolarHBondContact O-CD 3.17Å; G70-K248 VanDerWaalsContact O-CE 3.27Å; G70-K248 WeakPolarHBondContact O-CE 3.42Å; G70-K248 WeakPolarHBondContact O-CG 3.39Å; G70-R303 PolarHBondContact O-NH2 2.78Å
71T97Very high97.2Very high1 Ų125.2 Ų25.21%0.00614%0.135CC..  trans-58.5139.2178.7-68.40000110.4L65 S69 Y249 R303L65-T71 HydrophobicContact CD1-CG2 3.69Å; L65-T71 HydrophobicContact CG-CG2 4.12Å; L65-T71 WeakPolarHBondContact O-CB 3.34Å; L65-T71 PolarHBondContact O-N 2.82Å; L65-T71 VanDerWaalsContact O-N 3.1Å; S69-T71 PolarHBondContact O-N 2.96Å; S69-T71 PolarHBondContact OG-N 3.32Å; S69-T71 PolarHBondContact OG-OG1 3.21Å; T71-Y249 WeakPolarHBondContact CA-O 3.49Å; T71-Y249 WeakPolarHBondContact CG2-O 3.4Å; T71-Y249 PolarHBondContact OG1-N 2.91Å; T71-R303 PolarHBondContact O-NH2 3.02Å
72E96.1Very high97.1Very high56 Ų5624.5 Ų24.526%0.26213%0.132SC..EExtended strand (participates in β ladder)trans-107.3140.6176.3-73.7-178.4-145.300110.1K248 Y249 A251 K300E72-K248 WeakPolarHBondContact OE1-CE 3.28Å; E72-K248 IonicContact OE1-NZ 2.7Å; E72-K248 PolarHBondContact OE1-NZ 2.87Å; E72-Y249 PolarHBondContact N-O 2.94Å; E72-A251 PolarHBondContact O-N 2.6Å; E72-K300 IonicContact OE2-NZ 2.78Å; E72-K300 PolarHBondContact OE2-NZ 3.33Å
73C96.4Very high97.1Very high3 Ų328.8 Ų28.82%0.0216%0.155CC..EExtended strand (participates in β ladder)trans-121120.8173.2-61.20000108.3T107 M108 R111 A251 M253C73-T107 HydrophobicContact CB-CG2 4.05Å; C73-M108 HydrophobicContact CB-CE 3.28Å; C73-R111 PolarHBondContact O-NH1 3.33Å; C73-A251 CarbonylContact C-O 3.59Å; C73-A251 VanDerWaalsContact CA-O 3.28Å; C73-A251 WeakPolarHBondContact CA-O 3.36Å; C73-M253 HydrophobicContact CB-CE 3.83Å
74T97.4Very high97Very high1 Ų130 Ų301%0.00616%0.163CC..EExtended strand (participates in β ladder)trans-107.3134.1177.4-460000108.7F76 A251 D252 M253 Q298 K300T74-F76 HydrophobicContact CG2-CD2 4.4Å; T74-F76 HydrophobicContact CG2-CE2 3.63Å; T74-F76 HydrophobicContact CG2-CZ 3.87Å; T74-A251 PolarHBondContact N-O 2.67Å; T74-D252 WeakPolarHBondContact CB-OD1 3.3Å; T74-D252 CarbonylContact O-C 3.54Å; T74-D252 WeakPolarHBondContact O-CA 3.17Å; T74-D252 PolarHBondContact OG1-OD1 3.31Å; T74-D252 VanDerWaalsContact OG1-OD1 3.11Å; T74-M253 PolarHBondContact O-N 3Å; T74-Q298 HydrophobicContact CG2-CG 3.12Å; T74-K300 HydrophobicContact CG2-CG 4.14Å
75L97.7Very high97Very high2 Ų229.8 Ų29.81%0.0116%0.161CC..EExtended strand (participates in β ladder)trans-103.6138.7178.1-177.984.5000109.6V82 F85 M253 V255 Q298 F299L75-V82 HydrophobicContact CD2-CG2 3.72Å; L75-F85 HydrophobicContact CD1-CE2 4.11Å; L75-F85 HydrophobicContact CD2-CD2 4.34Å; L75-F85 HydrophobicContact CD2-CE2 3.58Å; L75-F85 HydrophobicContact CD2-CZ 4.44Å; L75-F85 HydrophobicContact CG-CE2 4.49Å; L75-M253 CarbonylContact C-O 3.6Å; L75-M253 WeakPolarHBondContact CA-O 3.44Å; L75-V255 HydrophobicContact CD1-CB 4.18Å; L75-V255 HydrophobicContact CD1-CG2 3.39Å; L75-Q298 CarbonylContact O-C 3.59Å; L75-Q298 WeakPolarHBondContact O-CA 3.4Å; L75-F299 HydrophobicContact CB-CB 4.15Å; L75-F299 HydrophobicContact CD2-CB 4.14Å; L75-F299 HydrophobicContact CD2-CD2 4.35Å; L75-F299 PolarHBondContact N-O 3.48Å; L75-F299 PolarHBondContact O-N 3.17Å
76F98.1Very high97Very high2 Ų230.4 Ų30.41%0.00917%0.168CC..EExtended strand (participates in β ladder)trans-119.6117.3173.1-63.9-98.2000108.1T74 D252 M253 C254 V255 I293 F294 Q297 Q298T74-F76 HydrophobicContact CG2-CD2 4.4Å; T74-F76 HydrophobicContact CG2-CE2 3.63Å; T74-F76 HydrophobicContact CG2-CZ 3.87Å; F76-D252 HydrophobicContact CD2-CB 4.25Å; F76-D252 HydrophobicContact CE2-CB 3.61Å; F76-M253 PolarHBondContact N-O 2.89Å; F76-C254 HydrophobicContact CB-CB 4.3Å; F76-C254 CarbonylContact O-C 3.52Å; F76-C254 WeakPolarHBondContact O-CA 3.28Å; F76-V255 PolarHBondContact O-N 3.41Å; F76-I293 HydrophobicContact CD1-CG1 4.38Å; F76-I293 HydrophobicContact CE1-CD1 3.68Å; F76-I293 HydrophobicContact CE1-CG1 3.35Å; F76-I293 HydrophobicContact CZ-CD1 3.99Å; F76-I293 HydrophobicContact CZ-CG1 3.53Å; F76-F294 HydrophobicContact CB-CB 3.85Å; F76-F294 HydrophobicContact CD1-CB 3.96Å; F76-F294 VanDerWaalsContact CD1-O 3.26Å; F76-F294 WeakPolarHBondContact CD1-O 3.47Å; F76-F294 HydrophobicContact CD2-CB 3.96Å; F76-F294 HydrophobicContact CD2-CD2 4.08Å; F76-F294 HydrophobicContact CG-CB 3.64Å; F76-Q297 WeakPolarHBondContact CA-O 3.37Å; F76-Q298 HydrophobicContact CE1-CB 4.26Å; F76-Q298 HydrophobicContact CE1-CG 4.03Å; F76-Q298 HydrophobicContact CZ-CG 4.05Å
77S97.4Very high97Very high9 Ų936.7 Ų36.76%0.06320%0.195CC..EExtended strand (participates in β ladder)trans-164.4-174.3-178.9-158.80000109.9T81 V255 Q297 F299S77-T81 WeakPolarHBondContact OG-CB 3.32Å; S77-T81 VanDerWaalsContact OG-CG2 3.3Å; S77-T81 WeakPolarHBondContact OG-CG2 3.31Å; S77-V255 WeakPolarHBondContact CB-O 3.25Å; S77-V255 PolarHBondContact OG-O 2.87Å; S77-Q297 PolarHBondContact N-O 2.86Å; S77-Q297 VanDerWaalsContact N-O 3.16Å; S77-Q297 PolarHBondContact O-N 2.99Å; S77-Q297 VanDerWaalsContact O-N 3.1Å; S77-F299 WeakPolarHBondContact O-CE2 3.46Å
78D96.3Very high97Very high76 Ų7633 Ų3341%0.40618%0.182SC..  trans-95.1154.8165.571.188.1000110.9A80 T81 V82D78-A80 VanDerWaalsContact C-N 3.28Å; D78-A80 PolarHBondContact O-N 2.79Å; D78-A80 WeakPolarHBondContact OD1-CA 3.44Å; D78-A80 VanDerWaalsContact OD1-CB 3.3Å; D78-A80 WeakPolarHBondContact OD1-CB 3.44Å; D78-A80 PolarHBondContact OD1-N 2.78Å; D78-T81 PolarHBondContact O-N 2.77Å; D78-T81 PolarHBondContact OD1-N 3.17Å; D78-T81 PolarHBondContact OD1-OG1 3.41Å; D78-T81 VanDerWaalsContact OD2-CB 3.26Å; D78-T81 WeakPolarHBondContact OD2-CB 3.38Å; D78-T81 PolarHBondContact OD2-OG1 3.26Å; D78-V82 WeakPolarHBondContact O-CG2 3.38Å; D78-V82 PolarHBondContact O-N 2.99Å; D78-V82 VanDerWaalsContact O-N 3.12Å
79Q96.1Very high97Very high81 Ų8132 Ų3238%0.37918%0.179SC..Hα-helixtrans-62.5-33.2-177-175.964.573.200113.1V82 N83 F299Q79-V82 PolarHBondContact O-N 2.9Å; Q79-N83 PolarHBondContact NE2-OD1 3.25Å; Q79-N83 PolarHBondContact O-N 2.88Å; Q79-N83 PolarHBondContact O-ND2 3.06Å; Q79-N83 PolarHBondContact O-OD1 2.94Å; Q79-F299 HydrophobicContact CB-CZ 4.24Å
80A96.5Very high97.1Very high67 Ų6731.8 Ų31.855%0.55418%0.178SC*.Hα-helixtrans-67-42.7-179.300000110.4D78 N83D78-A80 VanDerWaalsContact C-N 3.28Å; D78-A80 PolarHBondContact O-N 2.79Å; D78-A80 WeakPolarHBondContact OD1-CA 3.44Å; D78-A80 VanDerWaalsContact OD1-CB 3.3Å; D78-A80 WeakPolarHBondContact OD1-CB 3.44Å; D78-A80 PolarHBondContact OD1-N 2.78Å; A80-N83 PolarHBondContact O-N 2.87Å
81T96.6Very high97.2Very high8 Ų830.9 Ų30.95%0.04917%0.168CC..Hα-helixtrans-58.3-50.8171.2-67.40000111.4S77 D78 N83 T84 F85 R257S77-T81 WeakPolarHBondContact OG-CB 3.32Å; S77-T81 VanDerWaalsContact OG-CG2 3.3Å; S77-T81 WeakPolarHBondContact OG-CG2 3.31Å; D78-T81 PolarHBondContact O-N 2.77Å; D78-T81 PolarHBondContact OD1-N 3.17Å; D78-T81 PolarHBondContact OD1-OG1 3.41Å; D78-T81 VanDerWaalsContact OD2-CB 3.26Å; D78-T81 WeakPolarHBondContact OD2-CB 3.38Å; D78-T81 PolarHBondContact OD2-OG1 3.26Å; T81-N83 PolarHBondContact O-N 3.29Å; T81-T84 PolarHBondContact O-N 2.98Å; T81-T84 PolarHBondContact O-OG1 2.81Å; T81-F85 HydrophobicContact CG2-CD1 4.43Å; T81-F85 HydrophobicContact CG2-CE1 3.44Å; T81-F85 VanDerWaalsContact CG2-CE1 3.44Å; T81-F85 HydrophobicContact CG2-CZ 3.76Å; T81-F85 WeakPolarHBondContact O-CD1 3.34Å; T81-R257 HydrophobicContact CG2-CB 3.67Å; T81-R257 WeakPolarHBondContact OG1-CB 3.43Å
82V96.6Very high97.3Very high19 Ų1931.8 Ų31.812%0.11517%0.173CC..Hα-helixtrans-58.7-34.8-179.9175.90000112.5L75 D78 Q79 T84 F85 F299L75-V82 HydrophobicContact CD2-CG2 3.72Å; D78-V82 WeakPolarHBondContact O-CG2 3.38Å; D78-V82 PolarHBondContact O-N 2.99Å; D78-V82 VanDerWaalsContact O-N 3.12Å; Q79-V82 PolarHBondContact O-N 2.9Å; V82-T84 PolarHBondContact O-N 3.25Å; V82-F85 HydrophobicContact CG2-CE2 4.46Å; V82-F85 WeakPolarHBondContact O-CB 3.41Å; V82-F85 PolarHBondContact O-N 3.27Å; V82-F299 HydrophobicContact CG2-CD1 4.42Å; V82-F299 HydrophobicContact CG2-CD2 3.73Å; V82-F299 HydrophobicContact CG2-CE1 4.41Å; V82-F299 HydrophobicContact CG2-CE2 3.69Å; V82-F299 HydrophobicContact CG2-CG 4.09Å; V82-F299 HydrophobicContact CG2-CZ 4.04Å
83N96.8Very high97.4Very high89 Ų8929.1 Ų29.148%0.47616%0.161SC..Hα-helixtrans-64.7-21.5179.4-71.1-15.8000113.8Q79 A80 T81 K87Q79-N83 PolarHBondContact NE2-OD1 3.25Å; Q79-N83 PolarHBondContact O-N 2.88Å; Q79-N83 PolarHBondContact O-ND2 3.06Å; Q79-N83 PolarHBondContact O-OD1 2.94Å; A80-N83 PolarHBondContact O-N 2.87Å; T81-N83 PolarHBondContact O-N 3.29Å; N83-K87 PolarHBondContact O-NZ 3.27Å
84T97.6Very high97.5Very high35 Ų3529.2 Ų29.222%0.21516%0.161CC..Hα-helixtrans-85.5-18.1177.966.40000113.6T81 V82 G86 K87 E88 Y226T81-T84 PolarHBondContact O-N 2.98Å; T81-T84 PolarHBondContact O-OG1 2.81Å; V82-T84 PolarHBondContact O-N 3.25Å; T84-G86 PolarHBondContact O-N 3.16Å; T84-K87 WeakPolarHBondContact O-CB 3.32Å; T84-K87 PolarHBondContact O-N 2.77Å; T84-E88 WeakPolarHBondContact CB-OE1 3.49Å; T84-E88 PolarHBondContact OG1-OE1 3.33Å; T84-Y226 PolarHBondContact OG1-OH 3.43Å
85F97.6Very high97.5Very high12 Ų1229.1 Ų29.15%0.05316%0.16CC..THydrogen-bonded Turntrans-61.7133-173.5-71-0.1000112.5L75 T81 V82 K87 F112 W170 Y226 V255L75-F85 HydrophobicContact CD1-CE2 4.11Å; L75-F85 HydrophobicContact CD2-CD2 4.34Å; L75-F85 HydrophobicContact CD2-CE2 3.58Å; L75-F85 HydrophobicContact CD2-CZ 4.44Å; L75-F85 HydrophobicContact CG-CE2 4.49Å; T81-F85 HydrophobicContact CG2-CD1 4.43Å; T81-F85 HydrophobicContact CG2-CE1 3.44Å; T81-F85 VanDerWaalsContact CG2-CE1 3.44Å; T81-F85 HydrophobicContact CG2-CZ 3.76Å; T81-F85 WeakPolarHBondContact O-CD1 3.34Å; V82-F85 HydrophobicContact CG2-CE2 4.46Å; V82-F85 WeakPolarHBondContact O-CB 3.41Å; V82-F85 PolarHBondContact O-N 3.27Å; F85-K87 PolarHBondContact O-N 3.04Å; F85-F112 HydrophobicContact CB-CB 4.31Å; F85-F112 HydrophobicContact CB-CD1 3.52Å; F85-F112 HydrophobicContact CB-CD2 4.07Å; F85-F112 HydrophobicContact CB-CE1 3.78Å; F85-F112 HydrophobicContact CB-CE2 4.33Å; F85-F112 HydrophobicContact CB-CG 3.69Å; F85-F112 HydrophobicContact CB-CZ 4.19Å; F85-F112 HydrophobicContact CD2-CD1 4.42Å; F85-F112 AromaticContact CD2-CD2 3.93Å; F85-F112 HydrophobicContact CD2-CD2 3.93Å; F85-F112 HydrophobicContact CD2-CE1 4.03Å; F85-F112 AromaticContact CD2-CE2 3.53Å; F85-F112 HydrophobicContact CD2-CE2 3.53Å; F85-F112 HydrophobicContact CD2-CG 4.38Å; F85-F112 AromaticContact CD2-CZ 3.58Å; F85-F112 HydrophobicContact CD2-CZ 3.58Å; F85-F112 HydrophobicContact CE2-CE2 4.3Å; F85-F112 HydrophobicContact CE2-CZ 4.48Å; F85-F112 HydrophobicContact CG-CD2 4.46Å; F85-F112 HydrophobicContact CG-CE1 4.43Å; F85-F112 HydrophobicContact CG-CE2 4.42Å; F85-F112 HydrophobicContact CG-CZ 4.4Å; F85-W170 HydrophobicContact CB-CH2 4.16Å; F85-W170 HydrophobicContact CB-CZ2 4Å; F85-W170 HydrophobicContact CD1-CZ2 4.4Å; F85-W170 HydrophobicContact CD2-CH2 4.32Å; F85-W170 HydrophobicContact CG-CH2 4.11Å; F85-W170 HydrophobicContact CG-CZ2 4.21Å; F85-Y226 HydrophobicContact CD1-CD2 4.33Å; F85-Y226 AromaticContact CD1-CE2 3.39Å; F85-Y226 HydrophobicContact CD1-CE2 3.39Å; F85-Y226 AromaticContact CD1-CZ 3.62Å; F85-Y226 WeakPolarHBondContact CD1-OH 3.41Å; F85-Y226 AromaticContact CE1-CD2 3.92Å; F85-Y226 HydrophobicContact CE1-CD2 3.92Å; F85-Y226 HydrophobicContact CE1-CE1 4.4Å; F85-Y226 AromaticContact CE1-CE2 3.37Å; F85-Y226 HydrophobicContact CE1-CE2 3.37Å; F85-Y226 AromaticContact CE1-CZ 3.66Å; F85-Y226 HydrophobicContact CG-CE2 4.44Å; F85-Y226 HydrophobicContact CZ-CE2 4.41Å; F85-V255 HydrophobicContact CE1-CG1 4.21Å; F85-V255 HydrophobicContact CZ-CB 4.08Å; F85-V255 HydrophobicContact CZ-CG1 3.67Å; F85-V255 HydrophobicContact CZ-CG2 4.48Å
86G97.1Very high97.3Very high14 Ų1430.8 Ų30.814%0.14417%0.168CC..THydrogen-bonded Turntrans76.14.8-177.800000114.8T84 F112 Y168T84-G86 PolarHBondContact O-N 3.16Å; G86-F112 WeakPolarHBondContact CA-O 3.34Å; G86-Y168 WeakPolarHBondContact O-CD2 3.39Å
87K97.6Very high97Very high132 Ų13232.4 Ų32.457%0.57418%0.176SC*.SBendtrans-122.18.1-175.8-55.6175.5-169.3160.10114N83 T84 F85 Y168N83-K87 PolarHBondContact O-NZ 3.27Å; T84-K87 WeakPolarHBondContact O-CB 3.32Å; T84-K87 PolarHBondContact O-N 2.77Å; F85-K87 PolarHBondContact O-N 3.04Å; K87-Y168 WeakPolarHBondContact O-CE1 3.35Å; K87-Y168 PolarHBondContact O-OH 3.39Å
88E97.6Very high96.8Very high14 Ų1433.1 Ų33.17%0.06518%0.179CC..SBendtrans-148154.7176.951.9176.1-176.600111T84 V90 S223 Y226 R257T84-E88 WeakPolarHBondContact CB-OE1 3.49Å; T84-E88 PolarHBondContact OG1-OE1 3.33Å; E88-V90 HydrophobicContact CB-CG1 4.49Å; E88-V90 HydrophobicContact CG-CG1 3.74Å; E88-S223 WeakPolarHBondContact OE2-CB 3.43Å; E88-Y226 VanDerWaalsContact OE1-CE1 3.3Å; E88-Y226 WeakPolarHBondContact OE1-CE1 3.34Å; E88-Y226 VanDerWaalsContact OE1-CZ 3.29Å; E88-Y226 PolarHBondContact OE1-OH 2.99Å; E88-R257 IonicContact OE1-CZ 3.79Å; E88-R257 IonicContact OE1-NE 3.43Å; E88-R257 PolarHBondContact OE1-NE 3.06Å; E88-R257 IonicContact OE1-NH2 2.94Å; E88-R257 PolarHBondContact OE1-NH2 3.48Å; E88-R257 IonicContact OE2-CZ 2.72Å; E88-R257 IonicContact OE2-NE 2.68Å; E88-R257 IonicContact OE2-NH2 3.53Å; E88-R257 PolarHBondContact OE2-NH2 3.05Å
89H98.2Very high96.5Very high28 Ų2832.9 Ų32.913%0.1318%0.175CC..  trans-79.2133.8168.4-62.3-96.8000108.9Y165 E167 Y168 M169 V222 S223H89-Y165 PolarHBondContact CE1-O 3Å; H89-E167 PolarHBondContact CE1-O 3.47Å; H89-Y168 AromaticContact CD2-CD1 3.7Å; H89-Y168 AromaticContact NE2-CD1 3.8Å; H89-M169 CarbonylContact C-O 3.59Å; H89-M169 WeakPolarHBondContact CA-O 3.44Å; H89-M169 WeakPolarHBondContact ND1-CB 3.33Å; H89-M169 PolarHBondContact ND1-N 3.25Å; H89-V222 HydrophobicContact CB-CB 4.37Å; H89-V222 HydrophobicContact CB-CG1 3.95Å; H89-V222 CarbonylContact O-C 3.28Å; H89-V222 VanDerWaalsContact O-CA 3.27Å; H89-V222 WeakPolarHBondContact O-CA 3.17Å; H89-V222 WeakPolarHBondContact O-CB 3.41Å; H89-S223 PolarHBondContact O-N 2.86Å
90V98.4Very high96.4Very high0 Ų029 Ų290%016%0.157CC..EExtended strand (participates in β ladder)trans-141.7152.9-175.9-57.50000112.3E88 I92 M169 W170 F171 A224 Y226E88-V90 HydrophobicContact CB-CG1 4.49Å; E88-V90 HydrophobicContact CG-CG1 3.74Å; V90-I92 HydrophobicContact CG2-CD1 4.45Å; V90-I92 HydrophobicContact CG2-CG1 3.96Å; V90-M169 PolarHBondContact N-O 3.33Å; V90-W170 HydrophobicContact CG2-CB 4.31Å; V90-W170 VanDerWaalsContact CG2-CD1 3.43Å; V90-W170 HydrophobicContact CG2-CD2 4.18Å; V90-W170 HydrophobicContact CG2-CG 3.74Å; V90-F171 PolarHBondContact O-N 3.07Å; V90-A224 VanDerWaalsContact CA-O 3.28Å; V90-A224 WeakPolarHBondContact CA-O 3.46Å; V90-A224 WeakPolarHBondContact CB-O 3.41Å; V90-A224 HydrophobicContact CG1-CB 4.26Å; V90-Y226 HydrophobicContact CB-CD1 4.39Å; V90-Y226 HydrophobicContact CB-CD2 4.36Å; V90-Y226 HydrophobicContact CB-CE1 4.41Å; V90-Y226 HydrophobicContact CB-CE2 4.4Å; V90-Y226 HydrophobicContact CB-CG 4.34Å; V90-Y226 HydrophobicContact CG1-CD1 4.14Å; V90-Y226 HydrophobicContact CG1-CD2 4.4Å; V90-Y226 HydrophobicContact CG1-CE1 3.7Å; V90-Y226 HydrophobicContact CG1-CE2 4Å; V90-Y226 HydrophobicContact CG1-CG 4.46Å; V90-Y226 HydrophobicContact CG2-CD2 3.83Å; V90-Y226 HydrophobicContact CG2-CE2 3.94Å; V90-Y226 HydrophobicContact CG2-CG 4.23Å
91I98.6Very high96.3Very high0 Ų025.8 Ų25.80%013%0.13CC..EExtended strand (participates in β ladder)trans-91.6130.3162.8-64.3169.9000107.3F171 L173 A214 V215 L218 V222 A224 V225 Y226I91-F171 CarbonylContact C-O 3.55Å; I91-F171 WeakPolarHBondContact CA-O 3.41Å; I91-L173 HydrophobicContact CG2-CD1 3.77Å; I91-L173 HydrophobicContact CG2-CG 4.33Å; I91-A214 HydrophobicContact CD1-CB 4.04Å; I91-V215 HydrophobicContact CD1-CG2 3.91Å; I91-L218 HydrophobicContact CD1-CD1 4.3Å; I91-L218 HydrophobicContact CG1-CD1 4.15Å; I91-V222 HydrophobicContact CD1-CG2 4.13Å; I91-V222 HydrophobicContact CG1-CG1 4.36Å; I91-V222 HydrophobicContact CG1-CG2 4.21Å; I91-A224 PolarHBondContact N-O 2.8Å; I91-A224 VanDerWaalsContact N-O 3.11Å; I91-V225 HydrophobicContact CB-CG2 4.33Å; I91-V225 CarbonylContact O-C 3.53Å; I91-V225 VanDerWaalsContact O-CA 3.31Å; I91-V225 WeakPolarHBondContact O-CA 3.17Å; I91-Y226 PolarHBondContact O-N 3.19Å
92I98.6Very high96.2Very high20 Ų2028.4 Ų28.410%0.10314%0.141CC..EExtended strand (participates in β ladder)trans-105.8129.2176.3-59.2-174.3000108.9V90 W170 F171 L172 L173 Y226 V228V90-I92 HydrophobicContact CG2-CD1 4.45Å; V90-I92 HydrophobicContact CG2-CG1 3.96Å; I92-W170 HydrophobicContact CD1-CB 3.7Å; I92-W170 HydrophobicContact CD1-CD2 3.8Å; I92-W170 HydrophobicContact CD1-CE3 3.43Å; I92-W170 VanDerWaalsContact CD1-CE3 3.43Å; I92-W170 HydrophobicContact CD1-CG 3.96Å; I92-W170 HydrophobicContact CD1-CZ3 4.29Å; I92-W170 HydrophobicContact CG1-CB 4.41Å; I92-F171 PolarHBondContact N-O 3.26Å; I92-L172 HydrophobicContact CB-CD1 4.14Å; I92-L172 HydrophobicContact CG2-CD1 3.78Å; I92-L173 PolarHBondContact O-N 3.31Å; I92-Y226 CarbonylContact C-O 3.58Å; I92-Y226 WeakPolarHBondContact CA-O 3.41Å; I92-V228 HydrophobicContact CG2-CB 4.5Å; I92-V228 HydrophobicContact CG2-CG2 3.73Å
93I98.6Very high96.2Very high0 Ų027.5 Ų27.50%014%0.136CC..EExtended strand (participates in β ladder)trans-108.6113.8169.6-58.7172.2000107.7L173 F211 V225 Y226 V228 W273 L274 L277 Y278I93-L173 WeakPolarHBondContact CA-O 3.28Å; I93-F211 HydrophobicContact CD1-CD2 3.82Å; I93-F211 HydrophobicContact CD1-CE2 3.69Å; I93-F211 HydrophobicContact CD1-CZ 4.48Å; I93-F211 HydrophobicContact CG1-CD2 4.4Å; I93-V225 HydrophobicContact CD1-CG1 3.67Å; I93-V225 HydrophobicContact CG1-CG1 4.05Å; I93-Y226 PolarHBondContact N-O 3.45Å; I93-V228 PolarHBondContact O-N 3.36Å; I93-W273 HydrophobicContact CD1-CZ3 4.2Å; I93-L274 HydrophobicContact CD1-CD1 3.75Å; I93-L277 HydrophobicContact CD1-CD2 3.63Å; I93-L277 HydrophobicContact CG2-CD2 4.46Å; I93-Y278 HydrophobicContact CG2-CE2 3.97Å
94L98.3Very high96.2Very high4 Ų423.3 Ų23.32%0.02111%0.113CC..EExtended strand (participates in β ladder)trans-115.9140.1179.1-174.957.2000109.4D101 L172 L173 Y174 V228 L230L94-D101 HydrophobicContact CD2-CB 4.33Å; L94-L172 HydrophobicContact CB-CD1 3.63Å; L94-L172 HydrophobicContact CD2-CD1 4.21Å; L94-L173 PolarHBondContact N-O 3.35Å; L94-Y174 HydrophobicContact CB-CD1 4.17Å; L94-Y174 HydrophobicContact CB-CE1 3.83Å; L94-Y174 HydrophobicContact CD2-CE1 3.75Å; L94-Y174 HydrophobicContact CG-CD1 4.49Å; L94-Y174 HydrophobicContact CG-CE1 3.75Å; L94-Y174 VanDerWaalsContact O-CD1 3.27Å; L94-Y174 WeakPolarHBondContact O-CD1 3.49Å; L94-V228 WeakPolarHBondContact CA-O 3.44Å; L94-V228 HydrophobicContact CD1-CB 3.76Å; L94-V228 HydrophobicContact CD1-CG1 3.52Å; L94-L230 HydrophobicContact CD1-CB 3.87Å
95N97Very high96.2Very high0 Ų022.6 Ų22.60%011%0.113CC..  trans-68.6151168.465.2-63000110.4N97 E176 T229 L230N95-N97 PolarHBondContact ND2-OD1 2.81Å; N95-E176 VanDerWaalsContact CA-OE1 3.27Å; N95-E176 WeakPolarHBondContact CA-OE1 3.47Å; N95-T229 WeakPolarHBondContact OD1-CA 3.41Å; N95-L230 PolarHBondContact ND2-O 2.85Å; N95-L230 VanDerWaalsContact ND2-O 3.09Å; N95-L230 PolarHBondContact OD1-N 2.82Å
96H94.4Very high96.2Very high36 Ų3623.3 Ų23.317%0.16712%0.116CC..  trans-118.878.3-173.3-155.814000112.1D101 Y174 E176 R179 F180H96-D101 VanDerWaalsContact CA-OD2 3.31Å; H96-D101 WeakPolarHBondContact CA-OD2 3.3Å; H96-D101 IonicContact CE1-OD2 3.25Å; H96-D101 IonicContact CG-OD2 2.67Å; H96-D101 IonicContact ND1-OD2 3.01Å; H96-D101 PolarHBondContact ND1-OD2 3.47Å; H96-Y174 HydrophobicContact CB-CD1 3.46Å; H96-Y174 VanDerWaalsContact CB-CD1 3.46Å; H96-Y174 HydrophobicContact CB-CE1 3.99Å; H96-Y174 HydrophobicContact CB-CG 4.06Å; H96-Y174 AromaticContact CD2-CG 3.94Å; H96-Y174 AromaticContact CG-CD1 3.55Å; H96-Y174 AromaticContact CG-CE1 3.82Å; H96-Y174 AromaticContact CG-CG 3.9Å; H96-Y174 AromaticContact ND1-CD1 3.9Å; H96-Y174 AromaticContact ND1-CE1 3.66Å; H96-Y174 AromaticContact ND1-CZ 3.98Å; H96-E176 PolarHBondContact N-OE1 3.2Å; H96-R179 PolarHBondContact CD2-N 3.31Å; H96-R179 WeakPolarHBondContact CE1-CG 3.48Å; H96-R179 VanDerWaalsContact NE2-CG 3.32Å; H96-R179 WeakPolarHBondContact NE2-CG 3.11Å; H96-R179 CarbonylContact O-C 3.56Å; H96-R179 WeakPolarHBondContact O-CA 3.48Å; H96-F180 PolarHBondContact O-N 2.75Å
97N92.2Very high96.2Very high36 Ų3622.7 Ų22.719%0.19311%0.109CC..  trans-109.8-34.1-173.8-67.154.9000112.4N95 D101N95-N97 PolarHBondContact ND2-OD1 2.81Å; N97-D101 PolarHBondContact N-OD2 3.16Å
98F92.6Very high96.1Very high25 Ų2516.9 Ų16.911%0.118%0.084CC..SBendtrans-117.4162-169.4-44.7-81.2000112.5I100 D101 N231 F232 P238F98-I100 VanDerWaalsContact C-N 3.27Å; F98-I100 PolarHBondContact O-N 2.85Å; F98-D101 WeakPolarHBondContact CA-OD1 3.48Å; F98-D101 WeakPolarHBondContact CB-OD1 3.46Å; F98-D101 VanDerWaalsContact CD2-OD1 3.27Å; F98-D101 WeakPolarHBondContact CD2-OD1 3.35Å; F98-D101 VanDerWaalsContact N-CG 3.35Å; F98-D101 PolarHBondContact N-OD1 3.17Å; F98-D101 PolarHBondContact N-OD2 3.11Å; F98-N231 WeakPolarHBondContact CZ-OD1 3.49Å; F98-F232 HydrophobicContact CB-CE2 4.13Å; F98-F232 HydrophobicContact CD1-CD2 4.21Å; F98-F232 AromaticContact CD2-CD2 3.58Å; F98-F232 HydrophobicContact CD2-CD2 3.58Å; F98-F232 AromaticContact CD2-CE2 3.56Å; F98-F232 HydrophobicContact CD2-CE2 3.56Å; F98-F232 HydrophobicContact CE1-CD2 4.27Å; F98-F232 AromaticContact CE2-CD2 3.69Å; F98-F232 HydrophobicContact CE2-CD2 3.69Å; F98-F232 HydrophobicContact CE2-CE2 4.11Å; F98-F232 AromaticContact CG-CD2 3.86Å; F98-F232 HydrophobicContact CG-CD2 3.86Å; F98-F232 AromaticContact CG-CE2 3.83Å; F98-F232 HydrophobicContact CG-CE2 3.83Å; F98-F232 HydrophobicContact CZ-CD2 4.03Å; F98-P238 HydrophobicContact CB-CG 3.86Å; F98-P238 HydrophobicContact CD1-CG 4.29Å; F98-P238 HydrophobicContact CG-CG 4.18Å
99E90.3Very high96.1Very high70 Ų7016.6 Ų16.633%0.3278%0.083SC..THydrogen-bonded Turntrans-65.9-33.1179.5-169.6-173135.500112.2F102 S239 L240E99-F102 WeakPolarHBondContact O-CE1 3.3Å; E99-S239 VanDerWaalsContact OE2-CB 3.29Å; E99-S239 WeakPolarHBondContact OE2-CB 3.49Å; E99-L240 VanDerWaalsContact OE1-CB 3.29Å; E99-L240 WeakPolarHBondContact OE1-CB 3.11Å; E99-L240 WeakPolarHBondContact OE1-CG 3.27Å; E99-L240 PolarHBondContact OE1-N 3.24Å
100I93.4Very high96.1Very high0 Ų015.2 Ų15.20%08%0.077CC..THydrogen-bonded Turntrans-102.914.3-172.271.9163000113.5L65 F98 F102 L103 C104 F232 P238 L240 I243L65-I100 HydrophobicContact CD1-CD1 4.16Å; F98-I100 VanDerWaalsContact C-N 3.27Å; F98-I100 PolarHBondContact O-N 2.85Å; I100-F102 PolarHBondContact O-N 3.49Å; I100-L103 HydrophobicContact CB-CB 4.39Å; I100-L103 WeakPolarHBondContact O-CB 3.47Å; I100-L103 PolarHBondContact O-N 2.98Å; I100-C104 PolarHBondContact O-N 3.27Å; I100-C104 VanDerWaalsContact O-N 3.12Å; I100-F232 HydrophobicContact CD1-CE1 3.9Å; I100-F232 HydrophobicContact CD1-CZ 3.75Å; I100-F232 HydrophobicContact CG1-CE1 4.43Å; I100-F232 HydrophobicContact CG1-CZ 3.79Å; I100-P238 HydrophobicContact CD1-CB 3.45Å; I100-P238 VanDerWaalsContact CD1-CB 3.45Å; I100-P238 HydrophobicContact CD1-CG 3.84Å; I100-P238 HydrophobicContact CG1-CB 3.67Å; I100-P238 HydrophobicContact CG1-CG 3.59Å; I100-L240 HydrophobicContact CG2-CD2 3.9Å; I100-L240 HydrophobicContact CG2-CG 4.02Å; I100-I243 HydrophobicContact CB-CD1 4.27Å; I100-I243 HydrophobicContact CD1-CD1 3.82Å; I100-I243 HydrophobicContact CG2-CD1 3.77Å
101D94.8Very high96.1Very high0 Ų016.6 Ų16.60%08%0.082CC..Hα-helixtrans-48.8-49.6-178.3-64.3-21.7000111.8L94 H96 N97 F98 L103 C104 G105 Y174 L230L94-D101 HydrophobicContact CD2-CB 4.33Å; H96-D101 VanDerWaalsContact CA-OD2 3.31Å; H96-D101 WeakPolarHBondContact CA-OD2 3.3Å; H96-D101 IonicContact CE1-OD2 3.25Å; H96-D101 IonicContact CG-OD2 2.67Å; H96-D101 IonicContact ND1-OD2 3.01Å; H96-D101 PolarHBondContact ND1-OD2 3.47Å; N97-D101 PolarHBondContact N-OD2 3.16Å; F98-D101 WeakPolarHBondContact CA-OD1 3.48Å; F98-D101 WeakPolarHBondContact CB-OD1 3.46Å; F98-D101 VanDerWaalsContact CD2-OD1 3.27Å; F98-D101 WeakPolarHBondContact CD2-OD1 3.35Å; F98-D101 VanDerWaalsContact N-CG 3.35Å; F98-D101 PolarHBondContact N-OD1 3.17Å; F98-D101 PolarHBondContact N-OD2 3.11Å; D101-L103 VanDerWaalsContact C-N 3.25Å; D101-L103 PolarHBondContact O-N 3.43Å; D101-C104 PolarHBondContact O-N 2.97Å; D101-G105 PolarHBondContact O-N 2.77Å; D101-Y174 HydrophobicContact CB-CE1 4.29Å; D101-Y174 WeakPolarHBondContact CB-OH 3.27Å; D101-L230 HydrophobicContact CB-CD2 3.97Å; D101-L230 WeakPolarHBondContact OD1-CD2 3.34Å
102F94.1Very high96Very high62 Ų6218.6 Ų18.627%0.2729%0.091SC..Hα-helixtrans-62-34.2-178.973.9-87.7000112.1E99 I100 G105 W106 Y174 L240E99-F102 WeakPolarHBondContact O-CE1 3.3Å; I100-F102 PolarHBondContact O-N 3.49Å; F102-G105 PolarHBondContact O-N 3.38Å; F102-W106 HydrophobicContact CD2-CD2 4.32Å; F102-W106 HydrophobicContact CD2-CE3 4.27Å; F102-W106 HydrophobicContact CD2-CZ3 4.35Å; F102-W106 HydrophobicContact CE2-CE3 4.37Å; F102-W106 HydrophobicContact CE2-CZ3 4.21Å; F102-W106 WeakPolarHBondContact O-CB 3.44Å; F102-W106 PolarHBondContact O-N 2.97Å; F102-Y174 PolarHBondContact N-OH 2.87Å; F102-L240 HydrophobicContact CZ-CD1 4.49Å; F102-L240 HydrophobicContact CZ-CD2 4.3Å
103L96.1Very high95.9Very high1 Ų120 Ų201%0.00511%0.11CC..Hα-helixtrans-75.8-35.4-176.7-165.756.6000111.2L61 L65 I100 D101 W106 T107 L240 I243L61-L103 HydrophobicContact CB-CD1 3.77Å; L65-L103 HydrophobicContact CB-CD2 3.88Å; L65-L103 HydrophobicContact CB-CG 3.98Å; L65-L103 HydrophobicContact CD1-CD2 4.23Å; L65-L103 HydrophobicContact CD1-CG 4.49Å; L65-L103 HydrophobicContact CD2-CB 4.34Å; L65-L103 HydrophobicContact CD2-CD2 4.38Å; L65-L103 HydrophobicContact CD2-CG 3.79Å; L65-L103 WeakPolarHBondContact CD2-O 3.26Å; L65-L103 HydrophobicContact CG-CD2 4.39Å; L65-L103 HydrophobicContact CG-CG 4.3Å; I100-L103 HydrophobicContact CB-CB 4.39Å; I100-L103 WeakPolarHBondContact O-CB 3.47Å; I100-L103 PolarHBondContact O-N 2.98Å; D101-L103 VanDerWaalsContact C-N 3.25Å; D101-L103 PolarHBondContact O-N 3.43Å; L103-W106 HydrophobicContact CD1-CE3 4.01Å; L103-W106 PolarHBondContact O-N 3.18Å; L103-T107 PolarHBondContact O-N 2.93Å; L103-T107 PolarHBondContact O-OG1 3.04Å; L103-L240 HydrophobicContact CD2-CD2 3.97Å; L103-I243 HydrophobicContact CD2-CD1 3.93Å
104C97.3Very high95.9Very high0 Ų020.2 Ų20.20%011%0.111CC..Hα-helixtrans-64.8-40.7169-69.60000111.7I100 D101 W106 T107 M108 L230 F232 A251 M253I100-C104 PolarHBondContact O-N 3.27Å; I100-C104 VanDerWaalsContact O-N 3.12Å; D101-C104 PolarHBondContact O-N 2.97Å; C104-W106 VanDerWaalsContact C-N 3.35Å; C104-T107 WeakPolarHBondContact O-CB 3.5Å; C104-T107 PolarHBondContact O-N 3.37Å; C104-M108 PolarHBondContact O-N 3.19Å; C104-L230 HydrophobicContact CB-CD1 4.23Å; C104-L230 HydrophobicContact CB-CD2 4.1Å; C104-F232 VanDerWaalsContact SG-CZ 3.56Å; C104-A251 HydrophobicContact CB-CB 4.47Å; C104-M253 HydrophobicContact CB-SD 4.32Å
105G97.1Very high95.9Very high21 Ų2120 Ų2022%0.21611%0.11CC..Hα-helixtrans-60.1-43.3170.500000112.4D101 F102 T107 M108 T109D101-G105 PolarHBondContact O-N 2.77Å; F102-G105 PolarHBondContact O-N 3.38Å; G105-T107 VanDerWaalsContact C-N 3.34Å; G105-T107 PolarHBondContact O-N 3.33Å; G105-M108 WeakPolarHBondContact O-CB 3.31Å; G105-M108 PolarHBondContact O-N 3.37Å; G105-T109 PolarHBondContact O-N 3.31Å
106W97.8Very high95.9Very high27 Ų2720.4 Ų20.410%0.10211%0.114CC..Hα-helixtrans-63.7-35.8177.6-79.9-0.2000113.4W58 L61 V62 F102 L103 C104 M108 T109 E110 L115W58-W106 HydrophobicContact CB-CE3 4.2Å; W58-W106 HydrophobicContact CB-CH2 4.46Å; W58-W106 HydrophobicContact CB-CZ3 4.08Å; W58-W106 AromaticContact CD2-CH2 3.55Å; W58-W106 HydrophobicContact CD2-CH2 3.55Å; W58-W106 HydrophobicContact CD2-CZ2 4.07Å; W58-W106 AromaticContact CD2-CZ3 3.95Å; W58-W106 HydrophobicContact CD2-CZ3 3.95Å; W58-W106 AromaticContact CE3-CH2 3.31Å; W58-W106 HydrophobicContact CE3-CH2 3.31Å; W58-W106 HydrophobicContact CE3-CZ2 4.25Å; W58-W106 AromaticContact CE3-CZ3 3.63Å; W58-W106 HydrophobicContact CE3-CZ3 3.63Å; W58-W106 HydrophobicContact CG-CH2 4.05Å; W58-W106 HydrophobicContact CG-CZ2 4.35Å; W58-W106 HydrophobicContact CG-CZ3 4.16Å; W58-W106 HydrophobicContact CH2-CH2 4.4Å; W58-W106 AromaticContact CZ3-CH2 3.78Å; W58-W106 HydrophobicContact CZ3-CH2 3.78Å; W58-W106 HydrophobicContact CZ3-CZ3 4.39Å; L61-W106 HydrophobicContact CB-CZ3 4.47Å; L61-W106 HydrophobicContact CD1-CZ3 3.79Å; V62-W106 HydrophobicContact CG2-CB 3.89Å; F102-W106 HydrophobicContact CD2-CD2 4.32Å; F102-W106 HydrophobicContact CD2-CE3 4.27Å; F102-W106 HydrophobicContact CD2-CZ3 4.35Å; F102-W106 HydrophobicContact CE2-CE3 4.37Å; F102-W106 HydrophobicContact CE2-CZ3 4.21Å; F102-W106 WeakPolarHBondContact O-CB 3.44Å; F102-W106 PolarHBondContact O-N 2.97Å; L103-W106 HydrophobicContact CD1-CE3 4.01Å; L103-W106 PolarHBondContact O-N 3.18Å; C104-W106 VanDerWaalsContact C-N 3.35Å; W106-M108 VanDerWaalsContact C-N 3.25Å; W106-M108 PolarHBondContact O-N 3.01Å; W106-T109 VanDerWaalsContact CA-OG1 3.26Å; W106-T109 WeakPolarHBondContact CA-OG1 3.36Å; W106-T109 PolarHBondContact O-N 3.47Å; W106-T109 PolarHBondContact O-OG1 3.12Å; W106-E110 WeakPolarHBondContact O-CB 3.31Å; W106-E110 PolarHBondContact O-N 2.73Å; W106-L115 HydrophobicContact CB-CD1 3.72Å; W106-L115 HydrophobicContact CD2-CD1 4.08Å; W106-L115 HydrophobicContact CG-CD1 3.7Å
107T97.1Very high96.1Very high0 Ų019 Ų190%011%0.108CC..Hα-helixtrans-54.6-42169.2-740000112L65 E66 C73 L103 C104 G105 E110 R111L65-T107 WeakPolarHBondContact CD2-OG1 3.48Å; E66-T107 HydrophobicContact CG-CG2 4.17Å; E66-T107 WeakPolarHBondContact OE1-CG2 3.47Å; C73-T107 HydrophobicContact CB-CG2 4.05Å; L103-T107 PolarHBondContact O-N 2.93Å; L103-T107 PolarHBondContact O-OG1 3.04Å; C104-T107 WeakPolarHBondContact O-CB 3.5Å; C104-T107 PolarHBondContact O-N 3.37Å; G105-T107 VanDerWaalsContact C-N 3.34Å; G105-T107 PolarHBondContact O-N 3.33Å; T107-E110 PolarHBondContact O-N 2.98Å; T107-R111 VanDerWaalsContact O-CG 3.27Å; T107-R111 WeakPolarHBondContact O-CG 3.43Å; T107-R111 PolarHBondContact O-N 3.48Å; T107-R111 VanDerWaalsContact O-N 3.08Å
108M96.5Very high96.3Very high11 Ų1117.7 Ų17.75%0.05410%0.102CC..Hα-helixtrans-68.5-44.6176-65.8-59.3138.500111.5C73 C104 G105 W106 E110 R111 F112 W170 M253C73-M108 HydrophobicContact CB-CE 3.28Å; C104-M108 PolarHBondContact O-N 3.19Å; G105-M108 WeakPolarHBondContact O-CB 3.31Å; G105-M108 PolarHBondContact O-N 3.37Å; W106-M108 VanDerWaalsContact C-N 3.25Å; W106-M108 PolarHBondContact O-N 3.01Å; M108-E110 PolarHBondContact O-N 3.42Å; M108-R111 PolarHBondContact O-N 3.35Å; M108-R111 VanDerWaalsContact O-N 3.13Å; M108-F112 WeakPolarHBondContact O-CD2 3.24Å; M108-F112 PolarHBondContact O-N 3.12Å; M108-F112 HydrophobicContact SD-CE2 4.25Å; M108-W170 HydrophobicContact CB-CZ3 4.47Å; M108-M253 HydrophobicContact CE-CE 3.32Å; M108-M253 HydrophobicContact CG-CE 3.34Å; M108-M253 HydrophobicContact CG-SD 4.16Å; M108-M253 HydrophobicContact SD-CE 3.99Å
109T97.6Very high96.5Very high7 Ų716.8 Ų16.84%0.04310%0.098CC..Hα-helixtrans-60.7-32.6176.365.20000112.6G105 W106 G113 V114 L115 W170G105-T109 PolarHBondContact O-N 3.31Å; W106-T109 VanDerWaalsContact CA-OG1 3.26Å; W106-T109 WeakPolarHBondContact CA-OG1 3.36Å; W106-T109 PolarHBondContact O-N 3.47Å; W106-T109 PolarHBondContact O-OG1 3.12Å; T109-G113 PolarHBondContact O-N 2.81Å; T109-V114 HydrophobicContact CG2-CG2 4.12Å; T109-V114 PolarHBondContact O-N 3.04Å; T109-L115 PolarHBondContact O-N 2.84Å; T109-L115 VanDerWaalsContact O-N 3.12Å; T109-L115 WeakPolarHBondContact OG1-CA 3.2Å; T109-L115 WeakPolarHBondContact OG1-CD1 3.32Å; T109-W170 HydrophobicContact CG2-CD2 4.39Å; T109-W170 HydrophobicContact CG2-CE3 3.58Å; T109-W170 HydrophobicContact CG2-CZ3 4.17Å
110E98.1Very high96.8Very high0 Ų014.6 Ų14.60%09%0.089CC..Hα-helixtrans-64.9-51.5173.3172.355.5-145.400110.7Y55 V62 W106 T107 M108 F112 G113 L115 R304 T307Y55-E110 WeakPolarHBondContact CE2-OE2 3.42Å; Y55-E110 VanDerWaalsContact OH-CD 3.31Å; Y55-E110 PolarHBondContact OH-OE1 2.88Å; Y55-E110 PolarHBondContact OH-OE2 2.94Å; V62-E110 HydrophobicContact CG1-CB 4.08Å; V62-E110 HydrophobicContact CG1-CG 4.18Å; W106-E110 WeakPolarHBondContact O-CB 3.31Å; W106-E110 PolarHBondContact O-N 2.73Å; T107-E110 PolarHBondContact O-N 2.98Å; M108-E110 PolarHBondContact O-N 3.42Å; E110-F112 PolarHBondContact O-N 3.04Å; E110-G113 PolarHBondContact O-N 2.88Å; E110-G113 VanDerWaalsContact O-N 3.11Å; E110-L115 HydrophobicContact CB-CD2 4.29Å; E110-L115 VanDerWaalsContact OE2-CD2 3.26Å; E110-L115 WeakPolarHBondContact OE2-CD2 3.3Å; E110-R304 WeakPolarHBondContact O-CD 3.47Å; E110-R304 PolarHBondContact O-NH1 2.87Å; E110-R304 IonicContact OE1-CZ 2.76Å; E110-R304 IonicContact OE1-NE 3.36Å; E110-R304 IonicContact OE1-NH1 3.5Å; E110-R304 PolarHBondContact OE1-NH1 3.44Å; E110-T307 VanDerWaalsContact CD-CG2 3.46Å; E110-T307 HydrophobicContact CG-CG2 3.61Å
111R96.8Very high96.9Very high29 Ų2916.7 Ų16.711%0.10910%0.1CC..Hα-helixtrans-62.2-30.8-176.9-69.5176.8-173.7-16912.2112.4E66 C73 T107 M108 P301E66-R111 IonicContact OE1-CZ 2.74Å; E66-R111 VanDerWaalsContact OE1-CZ 3.26Å; E66-R111 IonicContact OE1-NE 2.88Å; E66-R111 PolarHBondContact OE1-NE 3.38Å; E66-R111 IonicContact OE1-NH2 3.71Å; E66-R111 PolarHBondContact OE1-NH2 2.93Å; C73-R111 PolarHBondContact O-NH1 3.33Å; T107-R111 VanDerWaalsContact O-CG 3.27Å; T107-R111 WeakPolarHBondContact O-CG 3.43Å; T107-R111 PolarHBondContact O-N 3.48Å; T107-R111 VanDerWaalsContact O-N 3.08Å; M108-R111 PolarHBondContact O-N 3.35Å; M108-R111 VanDerWaalsContact O-N 3.13Å; R111-P301 HydrophobicContact CB-CB 4.22Å; R111-P301 WeakPolarHBondContact CD-O 3.46Å; R111-P301 VanDerWaalsContact CZ-O 3.29Å; R111-P301 PolarHBondContact NE-O 3.16Å; R111-P301 PolarHBondContact NH1-O 2.96Å
112F97.1Very high96.7Very high42 Ų4216.8 Ų16.818%0.18410%0.101CC..THydrogen-bonded Turntrans-101.410.2177.5-62-71.2000114.6F85 G86 M108 E110 V114 W170 P301F85-F112 HydrophobicContact CB-CB 4.31Å; F85-F112 HydrophobicContact CB-CD1 3.52Å; F85-F112 HydrophobicContact CB-CD2 4.07Å; F85-F112 HydrophobicContact CB-CE1 3.78Å; F85-F112 HydrophobicContact CB-CE2 4.33Å; F85-F112 HydrophobicContact CB-CG 3.69Å; F85-F112 HydrophobicContact CB-CZ 4.19Å; F85-F112 HydrophobicContact CD2-CD1 4.42Å; F85-F112 AromaticContact CD2-CD2 3.93Å; F85-F112 HydrophobicContact CD2-CD2 3.93Å; F85-F112 HydrophobicContact CD2-CE1 4.03Å; F85-F112 AromaticContact CD2-CE2 3.53Å; F85-F112 HydrophobicContact CD2-CE2 3.53Å; F85-F112 HydrophobicContact CD2-CG 4.38Å; F85-F112 AromaticContact CD2-CZ 3.58Å; F85-F112 HydrophobicContact CD2-CZ 3.58Å; F85-F112 HydrophobicContact CE2-CE2 4.3Å; F85-F112 HydrophobicContact CE2-CZ 4.48Å; F85-F112 HydrophobicContact CG-CD2 4.46Å; F85-F112 HydrophobicContact CG-CE1 4.43Å; F85-F112 HydrophobicContact CG-CE2 4.42Å; F85-F112 HydrophobicContact CG-CZ 4.4Å; G86-F112 WeakPolarHBondContact CA-O 3.34Å; M108-F112 WeakPolarHBondContact O-CD2 3.24Å; M108-F112 PolarHBondContact O-N 3.12Å; M108-F112 HydrophobicContact SD-CE2 4.25Å; E110-F112 PolarHBondContact O-N 3.04Å; F112-V114 PolarHBondContact O-N 2.94Å; F112-W170 HydrophobicContact CB-CH2 4.32Å; F112-W170 HydrophobicContact CD2-CH2 4.1Å; F112-W170 HydrophobicContact CG-CH2 4.45Å; F112-P301 HydrophobicContact CE2-CB 4.47Å; F112-P301 HydrophobicContact CE2-CG 3.99Å; F112-P301 HydrophobicContact CZ-CB 4.02Å; F112-P301 HydrophobicContact CZ-CG 3.61Å
113G96.9Very high96.5Very high49 Ų4917.1 Ų17.151%0.50510%0.102SC..THydrogen-bonded Turntrans78.415.6167.900000116.7T109 E110T109-G113 PolarHBondContact O-N 2.81Å; E110-G113 PolarHBondContact O-N 2.88Å; E110-G113 VanDerWaalsContact O-N 3.11Å
114V97.9Very high96.2Very high5 Ų522 Ų223%0.0312%0.121CC..  trans-116.912.2-175.9-62.60000113.8T109 F112 G116 S117 S118 W170T109-V114 HydrophobicContact CG2-CG2 4.12Å; T109-V114 PolarHBondContact O-N 3.04Å; F112-V114 PolarHBondContact O-N 2.94Å; V114-G116 PolarHBondContact O-N 3.29Å; V114-S117 CarbonylContact O-C 3.57Å; V114-S117 PolarHBondContact O-N 2.85Å; V114-S117 VanDerWaalsContact O-N 3.16Å; V114-S117 PolarHBondContact O-OG 2.77Å; V114-S117 VanDerWaalsContact O-OG 3.09Å; V114-S118 PolarHBondContact O-N 3.4Å; V114-W170 HydrophobicContact CG2-CD2 3.61Å; V114-W170 HydrophobicContact CG2-CE3 3.99Å; V114-W170 HydrophobicContact CG2-CG 3.83Å; V114-W170 HydrophobicContact CG2-CZ2 4.35Å; V114-W170 HydrophobicContact CG2-CZ3 4.49Å
115L98.5Very high95.8Very high0 Ų026.4 Ų26.40%014%0.141CC..G310 helixtrans-55.1-46.2-178.9178.365.1000113Y55 W58 V62 W106 T109 E110 S117 S118Y55-L115 HydrophobicContact CD2-CB 4.06Å; Y55-L115 HydrophobicContact CD2-CD2 4.09Å; Y55-L115 HydrophobicContact CD2-CG 4.4Å; Y55-L115 HydrophobicContact CE2-CB 4.36Å; Y55-L115 HydrophobicContact CE2-CD2 4.16Å; W58-L115 HydrophobicContact CB-CD1 3.87Å; W58-L115 HydrophobicContact CB-CD2 3.89Å; W58-L115 HydrophobicContact CB-CG 3.85Å; V62-L115 HydrophobicContact CG2-CD1 4.21Å; V62-L115 HydrophobicContact CG2-CD2 4.01Å; W106-L115 HydrophobicContact CB-CD1 3.72Å; W106-L115 HydrophobicContact CD2-CD1 4.08Å; W106-L115 HydrophobicContact CG-CD1 3.7Å; T109-L115 PolarHBondContact O-N 2.84Å; T109-L115 VanDerWaalsContact O-N 3.12Å; T109-L115 WeakPolarHBondContact OG1-CA 3.2Å; T109-L115 WeakPolarHBondContact OG1-CD1 3.32Å; E110-L115 HydrophobicContact CB-CD2 4.29Å; E110-L115 VanDerWaalsContact OE2-CD2 3.26Å; E110-L115 WeakPolarHBondContact OE2-CD2 3.3Å; L115-S117 VanDerWaalsContact C-N 3.28Å; L115-S117 PolarHBondContact O-N 3Å; L115-S118 WeakPolarHBondContact O-CB 3.3Å; L115-S118 PolarHBondContact O-N 3.34Å; L115-S118 PolarHBondContact O-OG 2.77Å
116G97.8Very high95.3Very high7 Ų728.6 Ų28.67%0.07215%0.148CC..G310 helixtrans-71.4-19.4-178.800000114.7C51 V114C51-G116 WeakPolarHBondContact CA-O 3.47Å; C51-G116 VanDerWaalsContact O-CA 3.31Å; C51-G116 WeakPolarHBondContact O-CA 3.46Å; C51-G116 PolarHBondContact SG-O 3.25Å; V114-G116 PolarHBondContact O-N 3.29Å
117S97.4Very high95Very high6 Ų629.3 Ų29.34%0.04215%0.153CC..G310 helixtrans-104.71.4177.3540000112.9V114 L115 Y168V114-S117 CarbonylContact O-C 3.57Å; V114-S117 PolarHBondContact O-N 2.85Å; V114-S117 VanDerWaalsContact O-N 3.16Å; V114-S117 PolarHBondContact O-OG 2.77Å; V114-S117 VanDerWaalsContact O-OG 3.09Å; L115-S117 VanDerWaalsContact C-N 3.28Å; L115-S117 PolarHBondContact O-N 3Å; S117-Y168 WeakPolarHBondContact CB-O 3.48Å; S117-Y168 PolarHBondContact OG-O 3.49Å
118S97.4Very high94.5Very high10 Ų1036.7 Ų36.77%0.0718%0.182CC..  trans-61.6139.2173.169.20000110.7V114 L115V114-S118 PolarHBondContact O-N 3.4Å; L115-S118 WeakPolarHBondContact O-CB 3.3Å; L115-S118 PolarHBondContact O-N 3.34Å; L115-S118 PolarHBondContact O-OG 2.77Å
119K97.2Very high94Very high6 Ų638.9 Ų38.93%0.02620%0.197CC..EExtended strand (participates in β ladder)trans-130.4162.6-178.7-55.3-63175.4-176.60109.6L139 I141 Y165 M169 W170 F171 L172K119-L139 PolarHBondContact NZ-O 2.68Å; K119-I141 HydrophobicContact CB-CG1 4.45Å; K119-I141 HydrophobicContact CD-CG1 3.86Å; K119-Y165 PolarHBondContact NZ-OH 3.12Å; K119-M169 HydrophobicContact CB-CG 4.3Å; K119-M169 HydrophobicContact CB-SD 4.33Å; K119-M169 HydrophobicContact CG-CG 3.51Å; K119-M169 HydrophobicContact CG-SD 3.49Å; K119-M169 WeakPolarHBondContact CG-SD 3.37Å; K119-W170 PolarHBondContact N-O 3.29Å; K119-F171 HydrophobicContact CB-CB 4.5Å; K119-F171 HydrophobicContact CB-CD2 3.59Å; K119-F171 HydrophobicContact CB-CE2 4.27Å; K119-F171 HydrophobicContact CB-CG 4.45Å; K119-F171 HydrophobicContact CG-CD2 4.46Å; K119-L172 WeakPolarHBondContact O-CB 3.47Å; K119-L172 PolarHBondContact O-N 2.89Å
120V95.9Very high93.5Very high24 Ų2442.1 Ų42.115%0.14522%0.217CC..EExtended strand (participates in β ladder)trans-146.7149.9175.760.80000108.9A122 W136 I141 L172V120-A122 HydrophobicContact CG1-CB 4.21Å; V120-A122 PolarHBondContact O-N 2.95Å; V120-W136 HydrophobicContact CG1-CH2 4.39Å; V120-W136 HydrophobicContact CG1-CZ2 4.34Å; V120-I141 HydrophobicContact CG1-CD1 4.38Å; V120-I141 HydrophobicContact CG1-CG2 4.4Å; V120-I141 WeakPolarHBondContact O-CG2 3.13Å; V120-L172 WeakPolarHBondContact CA-O 3.18Å; V120-L172 HydrophobicContact CB-CB 4.21Å; V120-L172 HydrophobicContact CG2-CB 4.18Å; V120-L172 HydrophobicContact CG2-CD2 4.19Å; V120-L172 HydrophobicContact CG2-CG 4.24Å
121L94.6Very high93.2Very high43 Ų4342.7 Ų42.723%0.22522%0.22CC..EExtended strand (participates in β ladder)trans-76.6100.7162.2-176.161.9000108.7V142 C144 V155 F171 L172 L173L121-V142 HydrophobicContact CD1-CB 3.94Å; L121-V142 HydrophobicContact CD1-CG1 3.63Å; L121-C144 HydrophobicContact CD1-CB 4.41Å; L121-V155 HydrophobicContact CD1-CG2 4.39Å; L121-F171 HydrophobicContact CB-CE1 4.46Å; L121-F171 HydrophobicContact CB-CZ 4.01Å; L121-L172 PolarHBondContact N-O 2.82Å; L121-L172 VanDerWaalsContact N-O 3.16Å; L121-L173 HydrophobicContact CB-CD2 3.61Å; L121-L173 HydrophobicContact CD2-CD2 3.89Å; L121-L173 HydrophobicContact CG-CD2 4.42Å
122A91.4Very high93Very high3 Ų343.5 Ų43.53%0.02523%0.227CC..EExtended strand (participates in β ladder)trans-93.2150.3-170.300000113V120 W136 I141 V142 F143 C144V120-A122 HydrophobicContact CG1-CB 4.21Å; V120-A122 PolarHBondContact O-N 2.95Å; A122-W136 HydrophobicContact CB-CE3 3.97Å; A122-W136 HydrophobicContact CB-CZ3 3.83Å; A122-I141 HydrophobicContact CB-CG2 3.78Å; A122-V142 PolarHBondContact N-O 3.17Å; A122-F143 HydrophobicContact CB-CD1 3.74Å; A122-F143 HydrophobicContact CB-CE1 3.9Å; A122-F143 CarbonylContact O-C 3.56Å; A122-F143 VanDerWaalsContact O-CA 3.3Å; A122-F143 WeakPolarHBondContact O-CA 2.94Å; A122-C144 PolarHBondContact O-N 2.91Å
123K89.8Confident92.8Very high68 Ų6841.5 Ų41.530%0.29622%0.218SC..EExtended strand (participates in β ladder)trans-68.4132.5168.8-171.4-170.2-172.5-144.50109.9E125 L126 C144 R146K123-E125 HydrophobicContact CD-CB 4.45Å; K123-E125 WeakPolarHBondContact CE-OE1 3.47Å; K123-E125 WeakPolarHBondContact CE-OE2 3.02Å; K123-E125 WeakPolarHBondContact CG-OE2 3.43Å; K123-E125 IonicContact NZ-OE1 3.48Å; K123-E125 PolarHBondContact NZ-OE1 3.22Å; K123-E125 IonicContact NZ-OE2 2.93Å; K123-E125 PolarHBondContact O-N 3.2Å; K123-E125 VanDerWaalsContact O-N 3.14Å; K123-L126 HydrophobicContact CB-CD1 4.06Å; K123-L126 HydrophobicContact CB-CG 4.22Å; K123-L126 VanDerWaalsContact O-CB 3.26Å; K123-L126 WeakPolarHBondContact O-CB 3.36Å; K123-L126 PolarHBondContact O-N 3.07Å; K123-C144 CarbonylContact C-O 3.53Å; K123-R146 VanDerWaalsContact CE-NH2 3.3Å
124R89.4Confident92.7Very high103 Ų10344.3 Ų44.339%0.38921%0.213SC..G310 helixtrans-54.8-35.7-175.9-176.8172.1177.8154.9-4.6113.7L126 L127 C144 K145R124-L126 PolarHBondContact O-N 3.33Å; R124-L127 WeakPolarHBondContact O-CB 3.34Å; R124-L127 PolarHBondContact O-N 2.85Å; R124-C144 PolarHBondContact N-O 3.14Å; R124-K145 HydrophobicContact CB-CG 4.38Å; R124-K145 VanDerWaalsContact NH1-CE 3.28Å
125E88.6Confident92.7Very high93 Ų9344 Ų4444%0.43521%0.212SC..G310 helixtrans-61.3-24.3178-66.593.5125.800112.9K123 L127 Y128K123-E125 HydrophobicContact CD-CB 4.45Å; K123-E125 WeakPolarHBondContact CE-OE1 3.47Å; K123-E125 WeakPolarHBondContact CE-OE2 3.02Å; K123-E125 WeakPolarHBondContact CG-OE2 3.43Å; K123-E125 IonicContact NZ-OE1 3.48Å; K123-E125 PolarHBondContact NZ-OE1 3.22Å; K123-E125 IonicContact NZ-OE2 2.93Å; K123-E125 PolarHBondContact O-N 3.2Å; K123-E125 VanDerWaalsContact O-N 3.14Å; E125-L127 PolarHBondContact O-N 3.5Å; E125-Y128 PolarHBondContact O-N 3.04Å
126L87.8Confident92.7Very high67 Ų6745.5 Ų45.535%0.35122%0.217SC..G310 helixtrans-69.3-19.8176.2-62.2172.2000112.7K123 R124 Y128 V129 G133 W136K123-L126 HydrophobicContact CB-CD1 4.06Å; K123-L126 HydrophobicContact CB-CG 4.22Å; K123-L126 VanDerWaalsContact O-CB 3.26Å; K123-L126 WeakPolarHBondContact O-CB 3.36Å; K123-L126 PolarHBondContact O-N 3.07Å; R124-L126 PolarHBondContact O-N 3.33Å; L126-Y128 PolarHBondContact O-N 3.33Å; L126-V129 HydrophobicContact CD2-CG2 4.17Å; L126-V129 WeakPolarHBondContact O-CB 3.47Å; L126-V129 PolarHBondContact O-N 3.14Å; L126-V129 VanDerWaalsContact O-N 3.16Å; L126-G133 WeakPolarHBondContact O-CA 3.5Å; L126-W136 HydrophobicContact CB-CE3 4.21Å; L126-W136 HydrophobicContact CB-CZ3 3.65Å; L126-W136 HydrophobicContact CD1-CH2 4.01Å; L126-W136 HydrophobicContact CD1-CZ3 3.58Å; L126-W136 HydrophobicContact CG-CZ3 4.17Å
127L90.3Very high92.7Very high42 Ų4251.9 Ų51.922%0.2224%0.24CC..G310 helixtrans-58.2-33.3173.5-179.763.3000112R124 E125 V129 Y137 F143R124-L127 WeakPolarHBondContact O-CB 3.34Å; R124-L127 PolarHBondContact O-N 2.85Å; E125-L127 PolarHBondContact O-N 3.5Å; L127-V129 VanDerWaalsContact C-N 3.34Å; L127-Y137 HydrophobicContact CD1-CD2 4.05Å; L127-Y137 HydrophobicContact CD1-CG 4.34Å; L127-F143 HydrophobicContact CB-CD1 4.09Å; L127-F143 HydrophobicContact CB-CE1 3.83Å; L127-F143 HydrophobicContact CB-CZ 4.12Å; L127-F143 HydrophobicContact CD1-CD2 4.43Å; L127-F143 HydrophobicContact CD1-CE1 4.35Å; L127-F143 HydrophobicContact CD1-CE2 3.83Å; L127-F143 HydrophobicContact CD1-CZ 3.76Å
128Y87.6Confident92.7Very high155 Ų15552.3 Ų52.361%0.60824%0.241SC*.G310 helixtrans-86.1-5.4-177.4-54.5-67.3000113.4E125 L126 P130E125-Y128 PolarHBondContact O-N 3.04Å; L126-Y128 PolarHBondContact O-N 3.33Å; Y128-P130 VanDerWaalsContact O-CD 3.25Å; Y128-P130 WeakPolarHBondContact O-CD 3.27Å
129V85.9Confident92.7Very high58 Ų5851.8 Ų51.835%0.35224%0.238SC..SBendtrans-73115.5174.3178.70000107.5L126 L127 I132 G133L126-V129 HydrophobicContact CD2-CG2 4.17Å; L126-V129 WeakPolarHBondContact O-CB 3.47Å; L126-V129 PolarHBondContact O-N 3.14Å; L126-V129 VanDerWaalsContact O-N 3.16Å; L127-V129 VanDerWaalsContact C-N 3.34Å; V129-I132 HydrophobicContact CG1-CB 4.31Å; V129-G133 WeakPolarHBondContact O-CA 2.75Å; V129-G133 PolarHBondContact O-N 3.34Å
130P86.9Confident92.6Very high74 Ų7452.3 Ų52.348%0.48124%0.24SC..THydrogen-bonded Turntrans-56.5154179.1-23.734.8000110.9Y128 I132 W134Y128-P130 VanDerWaalsContact O-CD 3.25Å; Y128-P130 WeakPolarHBondContact O-CD 3.27Å; P130-I132 PolarHBondContact O-N 3.49Å; P130-W134 HydrophobicContact CB-CH2 4.05Å; P130-W134 HydrophobicContact CB-CZ2 3.98Å; P130-W134 HydrophobicContact CB-CZ3 4.46Å; P130-W134 HydrophobicContact CG-CZ2 4.3Å
131L92.2Very high92.7Very high12 Ų1251.8 Ų51.86%0.06324%0.236CC..THydrogen-bonded Turntrans70.9-65.2-176-43.5-177000113F21 V22 L26 N29 T135F21-L131 HydrophobicContact CD1-CD1 4.35Å; F21-L131 HydrophobicContact CE1-CD1 4.13Å; V22-L131 HydrophobicContact CB-CD1 4.25Å; V22-L131 HydrophobicContact CG1-CD1 4.35Å; V22-L131 HydrophobicContact CG2-CD1 4.13Å; L26-L131 HydrophobicContact CB-CD2 4.46Å; L26-L131 HydrophobicContact CD2-CD2 3.68Å; L26-L131 HydrophobicContact CG-CD2 3.82Å; N29-L131 WeakPolarHBondContact OD1-CA 3.31Å; N29-L131 PolarHBondContact OD1-O 3.43Å; L131-T135 VanDerWaalsContact O-CB 3.27Å; L131-T135 WeakPolarHBondContact O-CB 3.41Å; L131-T135 PolarHBondContact O-N 3.19Å; L131-T135 PolarHBondContact O-OG1 3.28Å
132I91.9Very high92.7Very high47 Ų4749.9 Ų49.924%0.24123%0.227CC..Hα-helixtrans-73.9-55.2-170.7-56.9-177.8000110.4W58 V129 P130 W134 T135 W136W58-I132 HydrophobicContact CH2-CB 4.3Å; W58-I132 HydrophobicContact CH2-CG2 3.87Å; W58-I132 HydrophobicContact CZ3-CB 4.45Å; W58-I132 HydrophobicContact CZ3-CG1 4.18Å; W58-I132 HydrophobicContact CZ3-CG2 4.14Å; V129-I132 HydrophobicContact CG1-CB 4.31Å; P130-I132 PolarHBondContact O-N 3.49Å; I132-W134 VanDerWaalsContact C-N 3.31Å; I132-W134 PolarHBondContact O-N 2.79Å; I132-T135 PolarHBondContact O-N 2.6Å; I132-W136 HydrophobicContact CG2-CD2 4.03Å; I132-W136 HydrophobicContact CG2-CE3 4.38Å; I132-W136 HydrophobicContact CG2-CH2 4.08Å; I132-W136 HydrophobicContact CG2-CZ2 3.69Å; I132-W136 HydrophobicContact CG2-CZ3 4.41Å; I132-W136 WeakPolarHBondContact O-CB 3.08Å; I132-W136 VanDerWaalsContact O-CG 3.27Å; I132-W136 PolarHBondContact O-N 3.43Å
133G92.6Very high92.8Very high0 Ų051.1 Ų51.10%023%0.231CC..Hα-helixtrans-61.7-38.3-179.500000113L126 V129 W136 Y137L126-G133 WeakPolarHBondContact O-CA 3.5Å; V129-G133 WeakPolarHBondContact O-CA 2.75Å; V129-G133 PolarHBondContact O-N 3.34Å; G133-W136 PolarHBondContact O-N 3.23Å; G133-Y137 PolarHBondContact O-N 2.99Å
134W96.6Very high92.9Very high107 Ų10748.6 Ų48.641%0.40522%0.222SC..Hα-helixtrans-69.7-45.1177.9-55.9-11.2000111.6L26 N29 P130 I132 W136 Y137 F138L26-W134 HydrophobicContact CD2-CZ3 4.19Å; N29-W134 HydrophobicContact CB-CE3 4.18Å; N29-W134 VanDerWaalsContact OD1-CE3 3.32Å; P130-W134 HydrophobicContact CB-CH2 4.05Å; P130-W134 HydrophobicContact CB-CZ2 3.98Å; P130-W134 HydrophobicContact CB-CZ3 4.46Å; P130-W134 HydrophobicContact CG-CZ2 4.3Å; I132-W134 VanDerWaalsContact C-N 3.31Å; I132-W134 PolarHBondContact O-N 2.79Å; W134-W136 PolarHBondContact O-N 2.94Å; W134-Y137 WeakPolarHBondContact O-CB 3.46Å; W134-Y137 PolarHBondContact O-N 3.38Å; W134-Y137 VanDerWaalsContact O-N 3.14Å; W134-F138 HydrophobicContact CB-CE2 4.48Å; W134-F138 WeakPolarHBondContact O-CD2 3.15Å; W134-F138 PolarHBondContact O-N 2.92Å
135T97.9Very high92.7Very high0 Ų047.6 Ų47.60%022%0.221CC..Hα-helixtrans-58-42.2173.1-55.40000110.7N29 Q32 A54 L57 W58 L131 I132 Y137 F138 L139N29-T135 PolarHBondContact ND2-OG1 2.89Å; Q32-T135 PolarHBondContact OE1-OG1 2.76Å; A54-T135 HydrophobicContact CB-CG2 3.78Å; L57-T135 HydrophobicContact CD2-CG2 4.43Å; L57-T135 VanDerWaalsContact CD2-OG1 3.28Å; L57-T135 WeakPolarHBondContact CD2-OG1 3.45Å; W58-T135 HydrophobicContact CH2-CG2 4.07Å; W58-T135 HydrophobicContact CZ2-CG2 3.49Å; W58-T135 VanDerWaalsContact CZ2-CG2 3.49Å; L131-T135 VanDerWaalsContact O-CB 3.27Å; L131-T135 WeakPolarHBondContact O-CB 3.41Å; L131-T135 PolarHBondContact O-N 3.19Å; L131-T135 PolarHBondContact O-OG1 3.28Å; I132-T135 PolarHBondContact O-N 2.6Å; T135-Y137 PolarHBondContact O-N 2.77Å; T135-F138 PolarHBondContact O-N 3.41Å; T135-L139 HydrophobicContact CG2-CD1 4.2Å; T135-L139 HydrophobicContact CG2-CG 4.48Å; T135-L139 WeakPolarHBondContact O-CB 3.26Å; T135-L139 VanDerWaalsContact O-CG 3.3Å; T135-L139 WeakPolarHBondContact O-CG 3.17Å; T135-L139 PolarHBondContact O-N 2.91Å
136W97.4Very high92.5Very high30 Ų3046.3 Ų46.311%0.11421%0.212CC..Hα-helixtrans-63.5-38.6176.5-73.5-3.4000113.4W58 V120 A122 L126 I132 G133 W134 L139 E140 I141 F143W58-W136 AromaticContact CH2-CD1 3.76Å; W58-W136 AromaticContact CH2-NE1 3.49Å; W58-W136 AromaticContact CZ2-CD1 3.4Å; W58-W136 AromaticContact CZ2-NE1 3.32Å; W58-W136 VanDerWaalsContact CZ2-NE1 3.32Å; V120-W136 HydrophobicContact CG1-CH2 4.39Å; V120-W136 HydrophobicContact CG1-CZ2 4.34Å; A122-W136 HydrophobicContact CB-CE3 3.97Å; A122-W136 HydrophobicContact CB-CZ3 3.83Å; L126-W136 HydrophobicContact CB-CE3 4.21Å; L126-W136 HydrophobicContact CB-CZ3 3.65Å; L126-W136 HydrophobicContact CD1-CH2 4.01Å; L126-W136 HydrophobicContact CD1-CZ3 3.58Å; L126-W136 HydrophobicContact CG-CZ3 4.17Å; I132-W136 HydrophobicContact CG2-CD2 4.03Å; I132-W136 HydrophobicContact CG2-CE3 4.38Å; I132-W136 HydrophobicContact CG2-CH2 4.08Å; I132-W136 HydrophobicContact CG2-CZ2 3.69Å; I132-W136 HydrophobicContact CG2-CZ3 4.41Å; I132-W136 WeakPolarHBondContact O-CB 3.08Å; I132-W136 VanDerWaalsContact O-CG 3.27Å; I132-W136 PolarHBondContact O-N 3.43Å; G133-W136 PolarHBondContact O-N 3.23Å; W134-W136 PolarHBondContact O-N 2.94Å; W136-L139 CarbonylContact O-C 3.59Å; W136-L139 PolarHBondContact O-N 3.38Å; W136-E140 PolarHBondContact O-N 3.19Å; W136-I141 HydrophobicContact CB-CB 3.96Å; W136-I141 HydrophobicContact CB-CD1 3.72Å; W136-I141 HydrophobicContact CB-CG1 4.36Å; W136-I141 HydrophobicContact CB-CG2 4.18Å; W136-I141 HydrophobicContact CD2-CD1 3.96Å; W136-I141 HydrophobicContact CG-CB 4.42Å; W136-I141 HydrophobicContact CG-CD1 3.35Å; W136-I141 HydrophobicContact CG-CG1 4.43Å; W136-I141 HydrophobicContact CG-CG2 4.43Å; W136-I141 WeakPolarHBondContact O-CB 3.47Å; W136-I141 PolarHBondContact O-N 3.03Å; W136-F143 HydrophobicContact CB-CE2 4.39Å; W136-F143 HydrophobicContact CB-CZ 3.67Å; W136-F143 AromaticContact CE3-CE1 4Å; W136-F143 HydrophobicContact CE3-CE1 4Å; W136-F143 HydrophobicContact CE3-CZ 4.27Å
137Y96.9Very high92.4Very high142 Ų14248.5 Ų48.556%0.55722%0.219SC*.Hα-helixtrans-58.4-50.1171.9177-93.7000111.6L127 G133 W134 T135 L139 E140L127-Y137 HydrophobicContact CD1-CD2 4.05Å; L127-Y137 HydrophobicContact CD1-CG 4.34Å; G133-Y137 PolarHBondContact O-N 2.99Å; W134-Y137 WeakPolarHBondContact O-CB 3.46Å; W134-Y137 PolarHBondContact O-N 3.38Å; W134-Y137 VanDerWaalsContact O-N 3.14Å; T135-Y137 PolarHBondContact O-N 2.77Å; Y137-L139 PolarHBondContact O-N 2.93Å; Y137-E140 PolarHBondContact O-N 3.45Å
138F97.5Very high92.3Very high14 Ų1449.8 Ų49.86%0.06122%0.22CC..Hα-helixtrans-65.9-24.8179.3-66-62.3000113.4Q32 L33 L36 Y46 W134 T135 E140Q32-F138 HydrophobicContact CB-CB 4.23Å; Q32-F138 HydrophobicContact CB-CD1 4.2Å; Q32-F138 HydrophobicContact CB-CD2 3.39Å; Q32-F138 HydrophobicContact CB-CE1 4.44Å; Q32-F138 HydrophobicContact CB-CE2 3.69Å; Q32-F138 HydrophobicContact CB-CG 3.69Å; Q32-F138 HydrophobicContact CB-CZ 4.21Å; Q32-F138 HydrophobicContact CG-CD2 4.19Å; Q32-F138 HydrophobicContact CG-CG 4.5Å; L33-F138 HydrophobicContact CB-CZ 4Å; L33-F138 HydrophobicContact CD1-CZ 4.19Å; L36-F138 HydrophobicContact CD1-CE1 4.22Å; L36-F138 HydrophobicContact CD2-CD1 4.19Å; L36-F138 HydrophobicContact CD2-CE1 4.02Å; L36-F138 HydrophobicContact CG-CE1 4.04Å; Y46-F138 WeakPolarHBondContact CE1-O 3.41Å; Y46-F138 WeakPolarHBondContact OH-CA 3.34Å; Y46-F138 WeakPolarHBondContact OH-CD1 3.41Å; Y46-F138 PolarHBondContact OH-O 3.07Å; W134-F138 HydrophobicContact CB-CE2 4.48Å; W134-F138 WeakPolarHBondContact O-CD2 3.15Å; W134-F138 PolarHBondContact O-N 2.92Å; T135-F138 PolarHBondContact O-N 3.41Å; F138-E140 VanDerWaalsContact C-N 3.29Å
139L97.5Very high92.3Very high0 Ų050.1 Ų50.10%023%0.228CC..THydrogen-bonded Turntrans-81.92171.6-73.4179.2000113.8N50 A54 K119 T135 W136 Y137 I141N50-L139 HydrophobicContact CB-CD2 4.33Å; A54-L139 HydrophobicContact CB-CD1 3.64Å; A54-L139 HydrophobicContact CB-CD2 3.84Å; A54-L139 HydrophobicContact CB-CG 4.03Å; K119-L139 PolarHBondContact NZ-O 2.68Å; T135-L139 HydrophobicContact CG2-CD1 4.2Å; T135-L139 HydrophobicContact CG2-CG 4.48Å; T135-L139 WeakPolarHBondContact O-CB 3.26Å; T135-L139 VanDerWaalsContact O-CG 3.3Å; T135-L139 WeakPolarHBondContact O-CG 3.17Å; T135-L139 PolarHBondContact O-N 2.91Å; W136-L139 CarbonylContact O-C 3.59Å; W136-L139 PolarHBondContact O-N 3.38Å; Y137-L139 PolarHBondContact O-N 2.93Å; L139-I141 HydrophobicContact CB-CD1 4.5Å; L139-I141 HydrophobicContact CB-CG1 4.44Å; L139-I141 HydrophobicContact CD1-CD1 4.42Å; L139-I141 PolarHBondContact O-N 3.35Å
140E96.6Very high92.5Very high17 Ų1751.6 Ų51.68%0.07923%0.231CC..THydrogen-bonded Turntrans55.934.8-175.6-53.7170.583.100113.3W39 R47 W136 Y137 F138 L162W39-E140 HydrophobicContact CH2-CG 4.03Å; W39-E140 WeakPolarHBondContact CH2-OE1 3.44Å; W39-E140 WeakPolarHBondContact CH2-OE2 3.29Å; W39-E140 HydrophobicContact CZ3-CG 4.2Å; R47-E140 IonicContact CZ-OE1 3.31Å; R47-E140 IonicContact CZ-OE2 3.8Å; R47-E140 VanDerWaalsContact CZ-OE2 3.25Å; R47-E140 IonicContact NE-OE1 3.51Å; R47-E140 IonicContact NE-OE2 3.97Å; R47-E140 PolarHBondContact NE-OE2 3.27Å; R47-E140 IonicContact NH2-OE1 3.16Å; R47-E140 PolarHBondContact NH2-OE1 3.47Å; R47-E140 IonicContact NH2-OE2 3.34Å; R47-E140 PolarHBondContact NH2-OE2 3.28Å; W136-E140 PolarHBondContact O-N 3.19Å; Y137-E140 PolarHBondContact O-N 3.45Å; F138-E140 VanDerWaalsContact C-N 3.29Å; E140-L162 HydrophobicContact CB-CD2 4.42Å
141I96.6Very high92.6Very high12 Ų1248.4 Ų48.46%0.06221%0.21CC..  trans-62.2140.9171.9-85.1168.5000109.9K119 V120 A122 W136 L139 F143K119-I141 HydrophobicContact CB-CG1 4.45Å; K119-I141 HydrophobicContact CD-CG1 3.86Å; V120-I141 HydrophobicContact CG1-CD1 4.38Å; V120-I141 HydrophobicContact CG1-CG2 4.4Å; V120-I141 WeakPolarHBondContact O-CG2 3.13Å; A122-I141 HydrophobicContact CB-CG2 3.78Å; W136-I141 HydrophobicContact CB-CB 3.96Å; W136-I141 HydrophobicContact CB-CD1 3.72Å; W136-I141 HydrophobicContact CB-CG1 4.36Å; W136-I141 HydrophobicContact CB-CG2 4.18Å; W136-I141 HydrophobicContact CD2-CD1 3.96Å; W136-I141 HydrophobicContact CG-CB 4.42Å; W136-I141 HydrophobicContact CG-CD1 3.35Å; W136-I141 HydrophobicContact CG-CG1 4.43Å; W136-I141 HydrophobicContact CG-CG2 4.43Å; W136-I141 WeakPolarHBondContact O-CB 3.47Å; W136-I141 PolarHBondContact O-N 3.03Å; L139-I141 HydrophobicContact CB-CD1 4.5Å; L139-I141 HydrophobicContact CB-CG1 4.44Å; L139-I141 HydrophobicContact CD1-CD1 4.42Å; L139-I141 PolarHBondContact O-N 3.35Å; I141-F143 HydrophobicContact CB-CE2 4.38Å; I141-F143 HydrophobicContact CG2-CD2 4.47Å; I141-F143 HydrophobicContact CG2-CE1 4.47Å; I141-F143 HydrophobicContact CG2-CE2 4.12Å; I141-F143 HydrophobicContact CG2-CZ 4.14Å; I141-F143 WeakPolarHBondContact O-CD2 3.36Å; I141-F143 WeakPolarHBondContact O-CE2 3.25Å
142V95.5Very high92.5Very high4 Ų454.4 Ų54.42%0.02423%0.232CC..EExtended strand (participates in β ladder)trans-81.4121-179.2-173.20000109L121 A122 V155 L159 L162 F171L121-V142 HydrophobicContact CD1-CB 3.94Å; L121-V142 HydrophobicContact CD1-CG1 3.63Å; A122-V142 PolarHBondContact N-O 3.17Å; V142-V155 HydrophobicContact CG1-CB 4.3Å; V142-V155 HydrophobicContact CG1-CG1 4.31Å; V142-V155 HydrophobicContact CG1-CG2 4.11Å; V142-L159 HydrophobicContact CG2-CD2 4.35Å; V142-L159 HydrophobicContact CG2-CG 4.36Å; V142-L162 HydrophobicContact CG2-CD1 4.14Å; V142-F171 HydrophobicContact CG2-CE2 4.31Å
143F93.6Very high92.6Very high28 Ų2858 Ų5812%0.12325%0.251CS..EExtended strand (participates in β ladder)trans-105.5138.4177.9-66.9-87.1000111.4A122 L127 W136 I141A122-F143 HydrophobicContact CB-CD1 3.74Å; A122-F143 HydrophobicContact CB-CE1 3.9Å; A122-F143 CarbonylContact O-C 3.56Å; A122-F143 VanDerWaalsContact O-CA 3.3Å; A122-F143 WeakPolarHBondContact O-CA 2.94Å; L127-F143 HydrophobicContact CB-CD1 4.09Å; L127-F143 HydrophobicContact CB-CE1 3.83Å; L127-F143 HydrophobicContact CB-CZ 4.12Å; L127-F143 HydrophobicContact CD1-CD2 4.43Å; L127-F143 HydrophobicContact CD1-CE1 4.35Å; L127-F143 HydrophobicContact CD1-CE2 3.83Å; L127-F143 HydrophobicContact CD1-CZ 3.76Å; W136-F143 HydrophobicContact CB-CE2 4.39Å; W136-F143 HydrophobicContact CB-CZ 3.67Å; W136-F143 AromaticContact CE3-CE1 4Å; W136-F143 HydrophobicContact CE3-CE1 4Å; W136-F143 HydrophobicContact CE3-CZ 4.27Å; I141-F143 HydrophobicContact CB-CE2 4.38Å; I141-F143 HydrophobicContact CG2-CD2 4.47Å; I141-F143 HydrophobicContact CG2-CE1 4.47Å; I141-F143 HydrophobicContact CG2-CE2 4.12Å; I141-F143 HydrophobicContact CG2-CZ 4.14Å; I141-F143 WeakPolarHBondContact O-CD2 3.36Å; I141-F143 WeakPolarHBondContact O-CE2 3.25Å
144C90.9Very high92.6Very high15 Ų1561.3 Ų61.310%0.10127%0.272CS..EExtended strand (participates in β ladder)trans-134.2147.317769.70000112.4L121 A122 K123 R124 D151 V155L121-C144 HydrophobicContact CD1-CB 4.41Å; A122-C144 PolarHBondContact O-N 2.91Å; K123-C144 CarbonylContact C-O 3.53Å; R124-C144 PolarHBondContact N-O 3.14Å; C144-D151 HydrophobicContact CB-CB 4.22Å; C144-D151 WeakPolarHBondContact CB-OD2 3.44Å; C144-V155 HydrophobicContact CB-CG2 3.99Å
145K86.8Confident92.5Very high82 Ų8256.5 Ų56.536%0.35725%0.254SS..  trans-77.4-8.6172.2-64.3173.7174.8175.40112.7R124 K147 E150 D151R124-K145 HydrophobicContact CB-CG 4.38Å; R124-K145 VanDerWaalsContact NH1-CE 3.28Å; K145-K147 VanDerWaalsContact C-N 3.34Å; K145-E150 HydrophobicContact CD-CB 4.2Å; K145-E150 WeakPolarHBondContact CD-OE2 3.38Å; K145-E150 IonicContact NZ-OE2 3.82Å; K145-E150 PolarHBondContact NZ-OE2 3Å; K145-D151 WeakPolarHBondContact CA-OD2 3.28Å; K145-D151 WeakPolarHBondContact CB-OD1 3.46Å; K145-D151 PolarHBondContact N-OD1 3.4Å; K145-D151 PolarHBondContact N-OD2 3.14Å
146R83Confident92.4Very high67 Ų6758.3 Ų58.325%0.25326%0.263SS..SBendtrans67.333.5-173.6-53.3-178.5-68.2161.27.4112.6K123 D151 S365K123-R146 VanDerWaalsContact CE-NH2 3.3Å; R146-D151 PolarHBondContact N-OD2 2.86Å; R146-S365 PolarHBondContact NH1-OG 3.18Å; R146-S365 PolarHBondContact NH2-OG 2.87Å
147K87.1Confident92.3Very high113 Ų11362.4 Ų62.449%0.49128%0.283SS..  trans-131.8107.6171-68.8-179.8-178.9-176.20107.9K145 E149 E150 D151K145-K147 VanDerWaalsContact C-N 3.34Å; K147-E149 VanDerWaalsContact C-N 3.27Å; K147-E149 PolarHBondContact O-N 2.89Å; K147-E150 HydrophobicContact CB-CB 4.31Å; K147-E150 HydrophobicContact CB-CG 4.31Å; K147-E150 HydrophobicContact CD-CG 4.4Å; K147-E150 WeakPolarHBondContact CD-OE1 3.4Å; K147-E150 IonicContact NZ-OE1 2.9Å; K147-E150 PolarHBondContact NZ-OE1 3.47Å; K147-E150 PolarHBondContact O-N 2.99Å; K147-D151 PolarHBondContact N-OD2 3.39Å; K147-D151 WeakPolarHBondContact O-CB 3.19Å; K147-D151 PolarHBondContact O-N 2.85Å
148W87.3Confident92.3Very high68 Ų6855.8 Ų55.826%0.25826%0.259SS..Hα-helixtrans-57.5-41.5-167.4176.6-112.6000112.7E150 D151 R152 K209 T213W148-E150 PolarHBondContact O-N 3.22Å; W148-D151 PolarHBondContact O-N 2.68Å; W148-R152 HydrophobicContact CD2-CB 4.43Å; W148-R152 HydrophobicContact CH2-CB 4.33Å; W148-R152 HydrophobicContact CH2-CG 4.01Å; W148-R152 HydrophobicContact CZ2-CB 4.1Å; W148-R152 HydrophobicContact CZ2-CG 3.66Å; W148-R152 WeakPolarHBondContact O-CB 3.43Å; W148-R152 PolarHBondContact O-N 2.72Å; W148-K209 HydrophobicContact CD2-CB 4.43Å; W148-K209 HydrophobicContact CE3-CB 4.28Å; W148-T213 HydrophobicContact CH2-CG2 4Å; W148-T213 WeakPolarHBondContact CH2-OG1 3.44Å; W148-T213 HydrophobicContact CZ3-CG2 4.47Å
149E88.3Confident92.2Very high162 Ų16255.2 Ų55.276%0.75726%0.256SS*.Hα-helixtrans-62.4-31.7-179.2-59.573.3-159.500112.3K147K147-E149 VanDerWaalsContact C-N 3.27Å; K147-E149 PolarHBondContact O-N 2.89Å
150E88.5Confident92.2Very high89 Ų8961.2 Ų61.242%0.41628%0.282SS..Hα-helixtrans-89.2-25.3177.4-61.9-174.7-142.700112.8K145 K147 W148K145-E150 HydrophobicContact CD-CB 4.2Å; K145-E150 WeakPolarHBondContact CD-OE2 3.38Å; K145-E150 IonicContact NZ-OE2 3.82Å; K145-E150 PolarHBondContact NZ-OE2 3Å; K147-E150 HydrophobicContact CB-CB 4.31Å; K147-E150 HydrophobicContact CB-CG 4.31Å; K147-E150 HydrophobicContact CD-CG 4.4Å; K147-E150 WeakPolarHBondContact CD-OE1 3.4Å; K147-E150 IonicContact NZ-OE1 2.9Å; K147-E150 PolarHBondContact NZ-OE1 3.47Å; K147-E150 PolarHBondContact O-N 2.99Å; W148-E150 PolarHBondContact O-N 3.22Å
151D89.6Confident92.1Very high8 Ų864.9 Ų64.94%0.04330%0.295CS..Hα-helixtrans-99.8-20.7-169.5-72.2-38.5000113.9C144 K145 R146 K147 W148 D153 T154 V155C144-D151 HydrophobicContact CB-CB 4.22Å; C144-D151 WeakPolarHBondContact CB-OD2 3.44Å; K145-D151 WeakPolarHBondContact CA-OD2 3.28Å; K145-D151 WeakPolarHBondContact CB-OD1 3.46Å; K145-D151 PolarHBondContact N-OD1 3.4Å; K145-D151 PolarHBondContact N-OD2 3.14Å; R146-D151 PolarHBondContact N-OD2 2.86Å; K147-D151 PolarHBondContact N-OD2 3.39Å; K147-D151 WeakPolarHBondContact O-CB 3.19Å; K147-D151 PolarHBondContact O-N 2.85Å; W148-D151 PolarHBondContact O-N 2.68Å; D151-D153 PolarHBondContact O-N 3.09Å; D151-T154 PolarHBondContact O-N 3.04Å; D151-T154 VanDerWaalsContact O-N 3.16Å; D151-V155 HydrophobicContact CB-CG2 4.02Å; D151-V155 WeakPolarHBondContact O-CB 3.18Å; D151-V155 WeakPolarHBondContact O-CG2 3.41Å; D151-V155 PolarHBondContact O-N 2.8Å
152R91.3Very high92.1Very high138 Ų13864.3 Ų64.352%0.52129%0.292SS..Hα-helixtrans-45.9-57.2-167.8178.2177.6-175.4-168.71.1113.1W148 V155 I156W148-R152 HydrophobicContact CD2-CB 4.43Å; W148-R152 HydrophobicContact CH2-CB 4.33Å; W148-R152 HydrophobicContact CH2-CG 4.01Å; W148-R152 HydrophobicContact CZ2-CB 4.1Å; W148-R152 HydrophobicContact CZ2-CG 3.66Å; W148-R152 WeakPolarHBondContact O-CB 3.43Å; W148-R152 PolarHBondContact O-N 2.72Å; R152-V155 PolarHBondContact O-N 3.27Å; R152-I156 HydrophobicContact CG-CD1 3.74Å; R152-I156 WeakPolarHBondContact O-CB 2.92Å; R152-I156 VanDerWaalsContact O-CG1 3.24Å; R152-I156 WeakPolarHBondContact O-CG1 3.07Å; R152-I156 PolarHBondContact O-N 3.34Å
153D93.6Very high92Very high123 Ų12366.8 Ų66.866%0.65831%0.31SS*.Hα-helixtrans-69.4-41.2-173.9-61.9-27.6000111.7D151 V155 I156 E157D151-D153 PolarHBondContact O-N 3.09Å; D153-V155 VanDerWaalsContact C-N 3.34Å; D153-V155 PolarHBondContact O-N 3.39Å; D153-I156 PolarHBondContact O-N 3.11Å; D153-E157 VanDerWaalsContact O-CB 3.27Å; D153-E157 WeakPolarHBondContact O-CB 3.26Å; D153-E157 PolarHBondContact O-N 3.03Å
154T92.7Very high92Very high69 Ų6968.6 Ų68.642%0.42332%0.321SS..Hα-helixtrans-62.8-41.3177.6-61.20000111.6D151 G158D151-T154 PolarHBondContact O-N 3.04Å; D151-T154 VanDerWaalsContact O-N 3.16Å; T154-G158 PolarHBondContact O-N 3.26Å
155V94.1Very high92.2Very high5 Ų568.2 Ų68.23%0.0332%0.318CS..Hα-helixtrans-68.6-46.7178.41700000110.7L121 V142 C144 D151 R152 D153 G158 L159 T213L121-V155 HydrophobicContact CD1-CG2 4.39Å; V142-V155 HydrophobicContact CG1-CB 4.3Å; V142-V155 HydrophobicContact CG1-CG1 4.31Å; V142-V155 HydrophobicContact CG1-CG2 4.11Å; C144-V155 HydrophobicContact CB-CG2 3.99Å; D151-V155 HydrophobicContact CB-CG2 4.02Å; D151-V155 WeakPolarHBondContact O-CB 3.18Å; D151-V155 WeakPolarHBondContact O-CG2 3.41Å; D151-V155 PolarHBondContact O-N 2.8Å; R152-V155 PolarHBondContact O-N 3.27Å; D153-V155 VanDerWaalsContact C-N 3.34Å; D153-V155 PolarHBondContact O-N 3.39Å; V155-G158 PolarHBondContact O-N 3.01Å; V155-L159 HydrophobicContact CG1-CD1 3.69Å; V155-L159 HydrophobicContact CG1-CG 4.38Å; V155-L159 WeakPolarHBondContact O-CB 3.4Å; V155-L159 WeakPolarHBondContact O-CD1 3.41Å; V155-L159 VanDerWaalsContact O-CG 3.24Å; V155-L159 WeakPolarHBondContact O-CG 3.41Å; V155-L159 PolarHBondContact O-N 3.08Å; V155-T213 HydrophobicContact CG1-CG2 4.23Å
156I96.2Very high92.7Very high39 Ų3966 Ų6620%0.231%0.312CS..Hα-helixtrans-61.2-48.1178.5-71.9170.3000110.7R152 D153 L159 K160 T213R152-I156 HydrophobicContact CG-CD1 3.74Å; R152-I156 WeakPolarHBondContact O-CB 2.92Å; R152-I156 VanDerWaalsContact O-CG1 3.24Å; R152-I156 WeakPolarHBondContact O-CG1 3.07Å; R152-I156 PolarHBondContact O-N 3.34Å; D153-I156 PolarHBondContact O-N 3.11Å; I156-L159 PolarHBondContact O-N 3.13Å; I156-K160 HydrophobicContact CG2-CD 4.04Å; I156-K160 WeakPolarHBondContact O-CB 3.49Å; I156-K160 WeakPolarHBondContact O-CG 3.2Å; I156-K160 PolarHBondContact O-N 3.16Å; I156-T213 HydrophobicContact CG1-CG2 3.73Å
157E95.9Very high93.3Very high115 Ų11565.1 Ų65.154%0.53731%0.31SS..Hα-helixtrans-64.6-42.5179.2-170.2-169.5-177.300111.5D153 K160 R161D153-E157 VanDerWaalsContact O-CB 3.27Å; D153-E157 WeakPolarHBondContact O-CB 3.26Å; D153-E157 PolarHBondContact O-N 3.03Å; E157-K160 PolarHBondContact O-N 3.1Å; E157-R161 WeakPolarHBondContact O-CB 3.26Å; E157-R161 WeakPolarHBondContact O-CG 3.37Å; E157-R161 PolarHBondContact O-N 3.1Å; E157-R161 PolarHBondContact O-NE 2.88Å; E157-R161 IonicContact OE2-NH2 2.6Å
158G95.8Very high93.9Very high4 Ų464.9 Ų64.94%0.04131%0.307CS..Hα-helixtrans-59.9-45.8175.800000112.5T154 V155 R161T154-G158 PolarHBondContact O-N 3.26Å; V155-G158 PolarHBondContact O-N 3.01Å; G158-R161 WeakPolarHBondContact O-CB 3.47Å; G158-R161 PolarHBondContact O-N 3.21Å
159L96.6Very high94.3Very high2 Ų261.7 Ų61.71%0.0130%0.295CS..Hα-helixtrans-66-44.6177.3-71.6165.1000111.9V142 V155 I156 R161 L162 F171 T213 A214 C217 L218V142-L159 HydrophobicContact CG2-CD2 4.35Å; V142-L159 HydrophobicContact CG2-CG 4.36Å; V155-L159 HydrophobicContact CG1-CD1 3.69Å; V155-L159 HydrophobicContact CG1-CG 4.38Å; V155-L159 WeakPolarHBondContact O-CB 3.4Å; V155-L159 WeakPolarHBondContact O-CD1 3.41Å; V155-L159 VanDerWaalsContact O-CG 3.24Å; V155-L159 WeakPolarHBondContact O-CG 3.41Å; V155-L159 PolarHBondContact O-N 3.08Å; I156-L159 PolarHBondContact O-N 3.13Å; L159-R161 VanDerWaalsContact C-N 3.25Å; L159-R161 PolarHBondContact O-N 3.37Å; L159-L162 WeakPolarHBondContact O-CB 3.34Å; L159-L162 PolarHBondContact O-N 2.87Å; L159-F171 HydrophobicContact CD2-CE1 3.89Å; L159-F171 HydrophobicContact CD2-CE2 3.92Å; L159-F171 HydrophobicContact CD2-CZ 3.51Å; L159-T213 HydrophobicContact CD1-CG2 3.87Å; L159-A214 HydrophobicContact CD1-CB 4.35Å; L159-A214 HydrophobicContact CD2-CB 4.28Å; L159-C217 HydrophobicContact CB-CB 3.59Å; L159-C217 HydrophobicContact CD1-CB 4.16Å; L159-C217 HydrophobicContact CG-CB 4.5Å; L159-L218 HydrophobicContact CD2-CD1 4.11Å; L159-L218 HydrophobicContact CD2-CG 4.33Å; L159-L218 WeakPolarHBondContact O-CD2 3.16Å
160K96.1Very high94.8Very high125 Ų12554.5 Ų54.554%0.54326%0.261SS..Hα-helixtrans-60.6-36.1176.3-76.7-179.9176.4-178.10112I156 E157 L162 S163 C217I156-K160 HydrophobicContact CG2-CD 4.04Å; I156-K160 WeakPolarHBondContact O-CB 3.49Å; I156-K160 WeakPolarHBondContact O-CG 3.2Å; I156-K160 PolarHBondContact O-N 3.16Å; E157-K160 PolarHBondContact O-N 3.1Å; K160-L162 PolarHBondContact O-N 3.37Å; K160-S163 VanDerWaalsContact O-CB 3.29Å; K160-S163 WeakPolarHBondContact O-CB 3.48Å; K160-S163 PolarHBondContact O-N 3.21Å; K160-S163 VanDerWaalsContact O-N 3.1Å; K160-S163 PolarHBondContact O-OG 3.42Å; K160-C217 HydrophobicContact CG-CB 4.43Å
161R94.8Very high95.2Very high94 Ų9450.3 Ų50.336%0.35524%0.241SC..Hα-helixtrans-60.7-23.3173.6-82.5-178-88.3155.4-14.4113.3R47 E157 G158 L159 S163R47-R161 PolarHBondContact NH2-O 3.41Å; E157-R161 WeakPolarHBondContact O-CB 3.26Å; E157-R161 WeakPolarHBondContact O-CG 3.37Å; E157-R161 PolarHBondContact O-N 3.1Å; E157-R161 PolarHBondContact O-NE 2.88Å; E157-R161 IonicContact OE2-NH2 2.6Å; G158-R161 WeakPolarHBondContact O-CB 3.47Å; G158-R161 PolarHBondContact O-N 3.21Å; L159-R161 VanDerWaalsContact C-N 3.25Å; L159-R161 PolarHBondContact O-N 3.37Å; R161-S163 VanDerWaalsContact C-N 3.34Å
162L95.9Very high95.6Very high0 Ų051.1 Ų51.10%025%0.245CC..THydrogen-bonded Turntrans-85.9-4.7178.3-59.6174.2000113.4E140 V142 L159 K160 D164 Y165 M169 F171 L218E140-L162 HydrophobicContact CB-CD2 4.42Å; V142-L162 HydrophobicContact CG2-CD1 4.14Å; L159-L162 WeakPolarHBondContact O-CB 3.34Å; L159-L162 PolarHBondContact O-N 2.87Å; K160-L162 PolarHBondContact O-N 3.37Å; L162-D164 PolarHBondContact O-N 3.25Å; L162-Y165 HydrophobicContact CD2-CD2 3.83Å; L162-Y165 HydrophobicContact CD2-CE2 4.25Å; L162-Y165 WeakPolarHBondContact O-CB 3.49Å; L162-Y165 PolarHBondContact O-N 2.79Å; L162-M169 HydrophobicContact CB-CE 3.97Å; L162-M169 HydrophobicContact CB-SD 3.92Å; L162-M169 HydrophobicContact CD1-CE 4.31Å; L162-M169 HydrophobicContact CD1-SD 3.82Å; L162-M169 HydrophobicContact CD2-SD 4.19Å; L162-M169 HydrophobicContact CG-SD 4.19Å; L162-F171 HydrophobicContact CD1-CD2 4.1Å; L162-F171 HydrophobicContact CD1-CE2 4.13Å; L162-L218 HydrophobicContact CB-CD2 4.2Å
163S93.2Very high95.9Very high57 Ų5744.9 Ų44.940%0.39922%0.222SC..THydrogen-bonded Turntrans-64.3-28.3-177.560.40000113.8K160 R161 T221K160-S163 VanDerWaalsContact O-CB 3.29Å; K160-S163 WeakPolarHBondContact O-CB 3.48Å; K160-S163 PolarHBondContact O-N 3.21Å; K160-S163 VanDerWaalsContact O-N 3.1Å; K160-S163 PolarHBondContact O-OG 3.42Å; R161-S163 VanDerWaalsContact C-N 3.34Å; S163-T221 WeakPolarHBondContact CA-OG1 3.35Å; S163-T221 WeakPolarHBondContact CB-OG1 3.2Å; S163-T221 VanDerWaalsContact O-CG2 3.29Å; S163-T221 WeakPolarHBondContact O-CG2 3.39Å; S163-T221 PolarHBondContact O-OG1 3.49Å
164D94.2Very high96.1Very high65 Ų6541.1 Ų41.135%0.34820%0.199SC..THydrogen-bonded Turntrans-106.824.4178.970.8-31.2000112.3K43 Q44 R47 L162K43-D164 IonicContact NZ-OD1 3.21Å; K43-D164 PolarHBondContact NZ-OD1 3.03Å; K43-D164 VanDerWaalsContact NZ-OD1 3.16Å; K43-D164 IonicContact NZ-OD2 3.69Å; K43-D164 PolarHBondContact NZ-OD2 3.42Å; Q44-D164 PolarHBondContact NE2-O 2.81Å; Q44-D164 PolarHBondContact NE2-OD2 3.11Å; Q44-D164 VanDerWaalsContact NE2-OD2 3.12Å; Q44-D164 PolarHBondContact OE1-O 2.74Å; R47-D164 IonicContact CZ-OD1 2.68Å; R47-D164 PolarHBondContact NH1-O 3.17Å; R47-D164 VanDerWaalsContact NH1-O 3.1Å; R47-D164 IonicContact NH1-OD1 3.2Å; R47-D164 PolarHBondContact NH1-OD1 3.33Å; R47-D164 IonicContact NH1-OD2 3.79Å; R47-D164 PolarHBondContact NH1-OD2 2.84Å; R47-D164 IonicContact NH2-OD1 2.95Å; R47-D164 PolarHBondContact NH2-OD1 3.02Å; L162-D164 PolarHBondContact O-N 3.25Å
165Y96.4Very high96.3Very high8 Ų838.2 Ų38.23%0.03118%0.182CC..  trans-70.1130.9-177.7-150.1-93.8000111.1R47 C51 H89 K119 L162 E167R47-Y165 HydrophobicContact CB-CE2 4.24Å; R47-Y165 HydrophobicContact CG-CD2 4.37Å; R47-Y165 HydrophobicContact CG-CE2 3.83Å; C51-Y165 PolarHBondContact SG-OH 2.86Å; H89-Y165 PolarHBondContact CE1-O 3Å; K119-Y165 PolarHBondContact NZ-OH 3.12Å; L162-Y165 HydrophobicContact CD2-CD2 3.83Å; L162-Y165 HydrophobicContact CD2-CE2 4.25Å; L162-Y165 WeakPolarHBondContact O-CB 3.49Å; L162-Y165 PolarHBondContact O-N 2.79Å; Y165-E167 VanDerWaalsContact C-N 3.35Å; Y165-E167 HydrophobicContact CD1-CB 4.33Å; Y165-E167 HydrophobicContact CE1-CB 4.29Å; Y165-E167 PolarHBondContact O-N 3.26Å
166P96Very high96.3Very high36 Ų3638.1 Ų38.123%0.23418%0.181CC..SBendtrans-83.3-8.8-165.530.7-33.5000114.9Q44 R47 R48Q44-P166 VanDerWaalsContact OE1-CB 3.24Å; R47-P166 HydrophobicContact CB-CG 3.78Å; R48-P166 HydrophobicContact CG-CB 4.24Å; R48-P166 HydrophobicContact CG-CG 3.89Å
167E96.9Very high96Very high47 Ų4737.3 Ų37.322%0.2218%0.183CC..SBendtrans-117.6140.4-178.1-62.6-76.7-178.400108R48 C51 R52 H89 Y165 M169R48-E167 HydrophobicContact CG-CG 4.4Å; C51-E167 HydrophobicContact CB-CG 4.46Å; R52-E167 IonicContact NH2-OE1 3.89Å; H89-E167 PolarHBondContact CE1-O 3.47Å; Y165-E167 VanDerWaalsContact C-N 3.35Å; Y165-E167 HydrophobicContact CD1-CB 4.33Å; Y165-E167 HydrophobicContact CE1-CB 4.29Å; Y165-E167 PolarHBondContact O-N 3.26Å; E167-M169 PolarHBondContact O-N 2.84Å; E167-M169 VanDerWaalsContact O-N 3.12Å
168Y97.9Very high95.7Very high109 Ų10933 Ų3343%0.42716%0.164SC..  trans-53.1123.1176.7-69.5-57.1000110.3G86 K87 H89 S117G86-Y168 WeakPolarHBondContact O-CD2 3.39Å; K87-Y168 WeakPolarHBondContact O-CE1 3.35Å; K87-Y168 PolarHBondContact O-OH 3.39Å; H89-Y168 AromaticContact CD2-CD1 3.7Å; H89-Y168 AromaticContact NE2-CD1 3.8Å; S117-Y168 WeakPolarHBondContact CB-O 3.48Å; S117-Y168 PolarHBondContact OG-O 3.49Å
169M96.4Very high95.6Very high0 Ų038.3 Ų38.30%018%0.183CC..  trans-110.1127.8-168.3179.1-177.468.600110.1H89 V90 K119 L162 E167 F171 L218H89-M169 CarbonylContact C-O 3.59Å; H89-M169 WeakPolarHBondContact CA-O 3.44Å; H89-M169 WeakPolarHBondContact ND1-CB 3.33Å; H89-M169 PolarHBondContact ND1-N 3.25Å; V90-M169 PolarHBondContact N-O 3.33Å; K119-M169 HydrophobicContact CB-CG 4.3Å; K119-M169 HydrophobicContact CB-SD 4.33Å; K119-M169 HydrophobicContact CG-CG 3.51Å; K119-M169 HydrophobicContact CG-SD 3.49Å; K119-M169 WeakPolarHBondContact CG-SD 3.37Å; L162-M169 HydrophobicContact CB-CE 3.97Å; L162-M169 HydrophobicContact CB-SD 3.92Å; L162-M169 HydrophobicContact CD1-CE 4.31Å; L162-M169 HydrophobicContact CD1-SD 3.82Å; L162-M169 HydrophobicContact CD2-SD 4.19Å; L162-M169 HydrophobicContact CG-SD 4.19Å; E167-M169 PolarHBondContact O-N 2.84Å; E167-M169 VanDerWaalsContact O-N 3.12Å; M169-F171 HydrophobicContact CE-CB 4.21Å; M169-L218 HydrophobicContact CE-CD1 4.23Å; M169-L218 HydrophobicContact CE-CD2 4.3Å
170W98.1Very high95.4Very high12 Ų1240.2 Ų40.25%0.04519%0.191CC..EExtended strand (participates in β ladder)trans-105.5103.6171.7-77.722.2000108.2F85 V90 I92 M108 T109 F112 V114 K119 Y226F85-W170 HydrophobicContact CB-CH2 4.16Å; F85-W170 HydrophobicContact CB-CZ2 4Å; F85-W170 HydrophobicContact CD1-CZ2 4.4Å; F85-W170 HydrophobicContact CD2-CH2 4.32Å; F85-W170 HydrophobicContact CG-CH2 4.11Å; F85-W170 HydrophobicContact CG-CZ2 4.21Å; V90-W170 HydrophobicContact CG2-CB 4.31Å; V90-W170 VanDerWaalsContact CG2-CD1 3.43Å; V90-W170 HydrophobicContact CG2-CD2 4.18Å; V90-W170 HydrophobicContact CG2-CG 3.74Å; I92-W170 HydrophobicContact CD1-CB 3.7Å; I92-W170 HydrophobicContact CD1-CD2 3.8Å; I92-W170 HydrophobicContact CD1-CE3 3.43Å; I92-W170 VanDerWaalsContact CD1-CE3 3.43Å; I92-W170 HydrophobicContact CD1-CG 3.96Å; I92-W170 HydrophobicContact CD1-CZ3 4.29Å; I92-W170 HydrophobicContact CG1-CB 4.41Å; M108-W170 HydrophobicContact CB-CZ3 4.47Å; T109-W170 HydrophobicContact CG2-CD2 4.39Å; T109-W170 HydrophobicContact CG2-CE3 3.58Å; T109-W170 HydrophobicContact CG2-CZ3 4.17Å; F112-W170 HydrophobicContact CB-CH2 4.32Å; F112-W170 HydrophobicContact CD2-CH2 4.1Å; F112-W170 HydrophobicContact CG-CH2 4.45Å; V114-W170 HydrophobicContact CG2-CD2 3.61Å; V114-W170 HydrophobicContact CG2-CE3 3.99Å; V114-W170 HydrophobicContact CG2-CG 3.83Å; V114-W170 HydrophobicContact CG2-CZ2 4.35Å; V114-W170 HydrophobicContact CG2-CZ3 4.49Å; K119-W170 PolarHBondContact N-O 3.29Å; W170-Y226 HydrophobicContact CH2-CE2 4.39Å; W170-Y226 AromaticContact CZ2-CE2 3.89Å; W170-Y226 HydrophobicContact CZ2-CE2 3.89Å
171F98.3Very high95.3Very high1 Ų137 Ų370%0.00418%0.182CC..EExtended strand (participates in β ladder)trans-96.7102.8-173.7-175.2-94000111.3V90 I91 I92 K119 L121 V142 L159 L162 M169 L173 A214 L218V90-F171 PolarHBondContact O-N 3.07Å; I91-F171 CarbonylContact C-O 3.55Å; I91-F171 WeakPolarHBondContact CA-O 3.41Å; I92-F171 PolarHBondContact N-O 3.26Å; K119-F171 HydrophobicContact CB-CB 4.5Å; K119-F171 HydrophobicContact CB-CD2 3.59Å; K119-F171 HydrophobicContact CB-CE2 4.27Å; K119-F171 HydrophobicContact CB-CG 4.45Å; K119-F171 HydrophobicContact CG-CD2 4.46Å; L121-F171 HydrophobicContact CB-CE1 4.46Å; L121-F171 HydrophobicContact CB-CZ 4.01Å; V142-F171 HydrophobicContact CG2-CE2 4.31Å; L159-F171 HydrophobicContact CD2-CE1 3.89Å; L159-F171 HydrophobicContact CD2-CE2 3.92Å; L159-F171 HydrophobicContact CD2-CZ 3.51Å; L162-F171 HydrophobicContact CD1-CD2 4.1Å; L162-F171 HydrophobicContact CD1-CE2 4.13Å; M169-F171 HydrophobicContact CE-CB 4.21Å; F171-L173 HydrophobicContact CD1-CD2 4.36Å; F171-L173 HydrophobicContact CD1-CG 4.15Å; F171-L173 HydrophobicContact CE1-CD1 4.4Å; F171-L173 HydrophobicContact CE1-CD2 3.63Å; F171-L173 HydrophobicContact CE1-CG 3.9Å; F171-L173 HydrophobicContact CZ-CD2 4.4Å; F171-A214 HydrophobicContact CE1-CB 4.14Å; F171-L218 HydrophobicContact CD1-CD1 4.4Å; F171-L218 HydrophobicContact CG-CD1 4.38Å
172L98.1Very high95.3Very high24 Ų2439.2 Ų39.213%0.12620%0.196CC..EExtended strand (participates in β ladder)trans-79.6132.9-175.3179.363.7000113.3I92 L94 K119 V120 L121 Y174I92-L172 HydrophobicContact CB-CD1 4.14Å; I92-L172 HydrophobicContact CG2-CD1 3.78Å; L94-L172 HydrophobicContact CB-CD1 3.63Å; L94-L172 HydrophobicContact CD2-CD1 4.21Å; K119-L172 WeakPolarHBondContact O-CB 3.47Å; K119-L172 PolarHBondContact O-N 2.89Å; V120-L172 WeakPolarHBondContact CA-O 3.18Å; V120-L172 HydrophobicContact CB-CB 4.21Å; V120-L172 HydrophobicContact CG2-CB 4.18Å; V120-L172 HydrophobicContact CG2-CD2 4.19Å; V120-L172 HydrophobicContact CG2-CG 4.24Å; L121-L172 PolarHBondContact N-O 2.82Å; L121-L172 VanDerWaalsContact N-O 3.16Å; L172-Y174 HydrophobicContact CD2-CD2 4.4Å; L172-Y174 HydrophobicContact CD2-CE2 3.62Å; L172-Y174 HydrophobicContact CG-CD2 4.47Å; L172-Y174 HydrophobicContact CG-CE2 4.13Å
173L97.4Very high95.3Very high7 Ų742.8 Ų42.84%0.03722%0.218CC..EExtended strand (participates in β ladder)trans-125.9124.8170.4-68.5178.2000110.6I91 I92 I93 L94 L121 F171 F211 A214I91-L173 HydrophobicContact CG2-CD1 3.77Å; I91-L173 HydrophobicContact CG2-CG 4.33Å; I92-L173 PolarHBondContact O-N 3.31Å; I93-L173 WeakPolarHBondContact CA-O 3.28Å; L94-L173 PolarHBondContact N-O 3.35Å; L121-L173 HydrophobicContact CB-CD2 3.61Å; L121-L173 HydrophobicContact CD2-CD2 3.89Å; L121-L173 HydrophobicContact CG-CD2 4.42Å; F171-L173 HydrophobicContact CD1-CD2 4.36Å; F171-L173 HydrophobicContact CD1-CG 4.15Å; F171-L173 HydrophobicContact CE1-CD1 4.4Å; F171-L173 HydrophobicContact CE1-CD2 3.63Å; F171-L173 HydrophobicContact CE1-CG 3.9Å; F171-L173 HydrophobicContact CZ-CD2 4.4Å; L173-F211 HydrophobicContact CD1-CB 4.21Å; L173-F211 HydrophobicContact CD1-CD2 4.28Å; L173-A214 HydrophobicContact CD1-CB 4.03Å
174Y96.7Very high95.4Very high44 Ų4442.1 Ų42.117%0.17321%0.208CC..  trans-93.790.9161.4-67.3-71.9000108.3L94 H96 D101 F102 L172 E176 G177L94-Y174 HydrophobicContact CB-CD1 4.17Å; L94-Y174 HydrophobicContact CB-CE1 3.83Å; L94-Y174 HydrophobicContact CD2-CE1 3.75Å; L94-Y174 HydrophobicContact CG-CD1 4.49Å; L94-Y174 HydrophobicContact CG-CE1 3.75Å; L94-Y174 VanDerWaalsContact O-CD1 3.27Å; L94-Y174 WeakPolarHBondContact O-CD1 3.49Å; H96-Y174 HydrophobicContact CB-CD1 3.46Å; H96-Y174 VanDerWaalsContact CB-CD1 3.46Å; H96-Y174 HydrophobicContact CB-CE1 3.99Å; H96-Y174 HydrophobicContact CB-CG 4.06Å; H96-Y174 AromaticContact CD2-CG 3.94Å; H96-Y174 AromaticContact CG-CD1 3.55Å; H96-Y174 AromaticContact CG-CE1 3.82Å; H96-Y174 AromaticContact CG-CG 3.9Å; H96-Y174 AromaticContact ND1-CD1 3.9Å; H96-Y174 AromaticContact ND1-CE1 3.66Å; H96-Y174 AromaticContact ND1-CZ 3.98Å; D101-Y174 HydrophobicContact CB-CE1 4.29Å; D101-Y174 WeakPolarHBondContact CB-OH 3.27Å; F102-Y174 PolarHBondContact N-OH 2.87Å; L172-Y174 HydrophobicContact CD2-CD2 4.4Å; L172-Y174 HydrophobicContact CD2-CE2 3.62Å; L172-Y174 HydrophobicContact CG-CD2 4.47Å; L172-Y174 HydrophobicContact CG-CE2 4.13Å; Y174-E176 PolarHBondContact O-N 3.03Å; Y174-G177 PolarHBondContact O-N 2.88Å
175C96.8Very high95.6Very high8 Ų840.2 Ų40.25%0.05420%0.197CC..THydrogen-bonded Turntrans-67.1-19.1-173.8-63.20000112.6G177 P206 R207 L274 Y278C175-G177 PolarHBondContact O-N 2.78Å; C175-P206 HydrophobicContact CB-CB 4Å; C175-R207 WeakPolarHBondContact O-CB 3.2Å; C175-R207 PolarHBondContact O-N 2.64Å; C175-L274 HydrophobicContact CB-CD1 4.46Å; C175-L274 HydrophobicContact CB-CD2 4.12Å; C175-Y278 HydrophobicContact CB-CE2 3.82Å; C175-Y278 WeakPolarHBondContact CB-OH 3.49Å
176E94.6Very high95.6Very high3 Ų346.1 Ų46.11%0.01422%0.22CC..THydrogen-bonded Turntrans-63.1-25.8169.7-64.9179.8-10400112.7N95 H96 Y174 T178 L204 Y278N95-E176 VanDerWaalsContact CA-OE1 3.27Å; N95-E176 WeakPolarHBondContact CA-OE1 3.47Å; H96-E176 PolarHBondContact N-OE1 3.2Å; Y174-E176 PolarHBondContact O-N 3.03Å; E176-T178 PolarHBondContact O-N 2.96Å; E176-L204 HydrophobicContact CB-CB 4.04Å; E176-L204 HydrophobicContact CB-CD1 4.39Å; E176-L204 HydrophobicContact CG-CB 4.02Å; E176-L204 WeakPolarHBondContact OE2-CG 3.27Å; E176-L204 PolarHBondContact OE2-N 3.02Å; E176-Y278 HydrophobicContact CG-CE1 3.6Å
177G90.1Very high95.6Very high23 Ų2346.2 Ų46.224%0.23722%0.217CC..SBendtrans74.2-3.4176.600000115.5Y174 C175Y174-G177 PolarHBondContact O-N 2.88Å; C175-G177 PolarHBondContact O-N 2.78Å
178T90.5Very high95.6Very high24 Ų2444.7 Ų44.715%0.14721%0.212CC..SBendtrans-161.7156.3174.9173.20000109.7E176 K184 L204E176-T178 PolarHBondContact O-N 2.96Å; T178-K184 HydrophobicContact CG2-CD 3.86Å; T178-K184 PolarHBondContact OG1-NZ 3.45Å; T178-L204 HydrophobicContact CG2-CD1 3.57Å
179R92.2Very high95.6Very high115 Ų11540.4 Ų40.443%0.43420%0.196SC..  trans-56.4138.4166.9-73.8-175.5-72.2167.9-1.3111.9H96 K184H96-R179 PolarHBondContact CD2-N 3.31Å; H96-R179 WeakPolarHBondContact CE1-CG 3.48Å; H96-R179 VanDerWaalsContact NE2-CG 3.32Å; H96-R179 WeakPolarHBondContact NE2-CG 3.11Å; H96-R179 CarbonylContact O-C 3.56Å; H96-R179 WeakPolarHBondContact O-CA 3.48Å; R179-K184 WeakPolarHBondContact O-CD 3.44Å; R179-K184 PolarHBondContact O-NZ 3.41Å
180F93.8Very high95.6Very high43 Ų4345 Ų4519%0.18922%0.218CC..  trans-58.3132.1171.6-172.7-80000110.6H96 H185 Y202 L204H96-F180 PolarHBondContact O-N 2.75Å; F180-H185 HydrophobicContact CD2-CB 4.48Å; F180-H185 HydrophobicContact CE1-CB 4.31Å; F180-H185 HydrophobicContact CE2-CB 3.7Å; F180-H185 AromaticContact CE2-CD2 3.4Å; F180-H185 VanDerWaalsContact CE2-CD2 3.4Å; F180-H185 WeakPolarHBondContact CE2-CD2 3.18Å; F180-H185 AromaticContact CE2-CG 3.72Å; F180-H185 HydrophobicContact CZ-CB 3.58Å; F180-H185 AromaticContact CZ-CD2 3.77Å; F180-H185 AromaticContact CZ-CG 3.67Å; F180-Y202 WeakPolarHBondContact CD2-O 3.33Å; F180-Y202 WeakPolarHBondContact CE2-O 3.37Å; F180-L204 HydrophobicContact CD2-CD2 3.98Å; F180-L204 HydrophobicContact CD2-CG 4.18Å; F180-L204 HydrophobicContact CE2-CD2 4.33Å
181T93.9Very high95.5Very high57 Ų5747 Ų4735%0.3523%0.231SC..  trans-145153.5163.967.10000107.3T183 K184 H185T181-T183 PolarHBondContact O-N 2.86Å; T181-K184 HydrophobicContact CG2-CD 4.39Å; T181-K184 PolarHBondContact O-N 2.61Å; T181-K184 WeakPolarHBondContact OG1-CD 3.32Å; T181-K184 WeakPolarHBondContact OG1-CG 3.43Å; T181-K184 PolarHBondContact OG1-N 2.9Å; T181-H185 WeakPolarHBondContact O-CB 3.29Å; T181-H185 PolarHBondContact O-N 3.09Å
182E94.4Very high95.4Very high140 Ų14047 Ų4765%0.65423%0.231SC*.Hα-helixtrans-52.6-43.9-179.3-165.661.3-15500112.2K184 H185 R186E182-K184 PolarHBondContact O-N 3.29Å; E182-H185 PolarHBondContact O-N 3.04Å; E182-R186 PolarHBondContact O-N 2.97Å
183T95.5Very high95.3Very high76 Ų7651.8 Ų51.847%0.46625%0.253SS..Hα-helixtrans-60.1-44.5176.7-44.50000112.6T181 H185 I187T181-T183 PolarHBondContact O-N 2.86Å; T183-H185 VanDerWaalsContact C-N 3.35Å; T183-I187 HydrophobicContact CG2-CD1 4.35Å; T183-I187 WeakPolarHBondContact O-CG1 3.31Å; T183-I187 PolarHBondContact O-N 3.45Å
184K95.4Very high95.3Very high43 Ų4355.9 Ų55.919%0.18728%0.282CS..Hα-helixtrans-72.1-33.1-179.9-71.5171.2-173.2168.80111.6T178 R179 T181 E182 S188 L204T178-K184 HydrophobicContact CG2-CD 3.86Å; T178-K184 PolarHBondContact OG1-NZ 3.45Å; R179-K184 WeakPolarHBondContact O-CD 3.44Å; R179-K184 PolarHBondContact O-NZ 3.41Å; T181-K184 HydrophobicContact CG2-CD 4.39Å; T181-K184 PolarHBondContact O-N 2.61Å; T181-K184 WeakPolarHBondContact OG1-CD 3.32Å; T181-K184 WeakPolarHBondContact OG1-CG 3.43Å; T181-K184 PolarHBondContact OG1-N 2.9Å; E182-K184 PolarHBondContact O-N 3.29Å; K184-S188 VanDerWaalsContact O-CB 3.25Å; K184-S188 WeakPolarHBondContact O-CB 3.42Å; K184-S188 PolarHBondContact O-N 2.97Å; K184-L204 HydrophobicContact CB-CD1 4.26Å; K184-L204 HydrophobicContact CB-CD2 4.26Å
185H97.5Very high95.1Very high24 Ų2460.6 Ų60.611%0.11130%0.304CS..Hα-helixtrans-62.8-51.2174.5177.8-94.4000110.8F180 T181 E182 T183 I187 S188 M189 L200 K201 L204F180-H185 HydrophobicContact CD2-CB 4.48Å; F180-H185 HydrophobicContact CE1-CB 4.31Å; F180-H185 HydrophobicContact CE2-CB 3.7Å; F180-H185 AromaticContact CE2-CD2 3.4Å; F180-H185 VanDerWaalsContact CE2-CD2 3.4Å; F180-H185 WeakPolarHBondContact CE2-CD2 3.18Å; F180-H185 AromaticContact CE2-CG 3.72Å; F180-H185 HydrophobicContact CZ-CB 3.58Å; F180-H185 AromaticContact CZ-CD2 3.77Å; F180-H185 AromaticContact CZ-CG 3.67Å; T181-H185 WeakPolarHBondContact O-CB 3.29Å; T181-H185 PolarHBondContact O-N 3.09Å; E182-H185 PolarHBondContact O-N 3.04Å; T183-H185 VanDerWaalsContact C-N 3.35Å; H185-I187 VanDerWaalsContact C-N 3.34Å; H185-I187 PolarHBondContact O-N 3.18Å; H185-S188 CarbonylContact O-C 3.58Å; H185-S188 WeakPolarHBondContact O-CA 3.33Å; H185-S188 WeakPolarHBondContact O-CB 3.46Å; H185-S188 PolarHBondContact O-N 3.32Å; H185-M189 WeakPolarHBondContact O-CG 3.47Å; H185-M189 PolarHBondContact O-N 2.9Å; H185-L200 PolarHBondContact CE1-O 2.85Å; H185-L200 PolarHBondContact NE2-O 3.17Å; H185-K201 PolarHBondContact NE2-O 3.18Å; H185-L204 HydrophobicContact CB-CD2 3.91Å
186R97.1Very high95.1Very high133 Ų13363.6 Ų63.650%0.50234%0.336SS..Hα-helixtrans-51.8-51.1174.1-175.8-176.461.779.7-2.6112.2E182 S188 M189 E190E182-R186 PolarHBondContact O-N 2.97Å; R186-S188 VanDerWaalsContact C-N 3.31Å; R186-S188 PolarHBondContact O-N 2.82Å; R186-M189 PolarHBondContact O-N 3.4Å; R186-M189 VanDerWaalsContact O-N 3.14Å; R186-E190 IonicContact CZ-OE1 2.92Å; R186-E190 IonicContact NH1-OE1 3.93Å; R186-E190 PolarHBondContact NH1-OE1 3.44Å; R186-E190 IonicContact NH1-OE2 2.67Å; R186-E190 PolarHBondContact O-N 2.81Å
187I96.7Very high95.1Very high37 Ų3765.5 Ų65.519%0.1935%0.346CS..Hα-helixtrans-59.8-43.1177.6-66.1165.1000110.8T183 H185 M189 E190 V191T183-I187 HydrophobicContact CG2-CD1 4.35Å; T183-I187 WeakPolarHBondContact O-CG1 3.31Å; T183-I187 PolarHBondContact O-N 3.45Å; H185-I187 VanDerWaalsContact C-N 3.34Å; H185-I187 PolarHBondContact O-N 3.18Å; I187-M189 VanDerWaalsContact C-N 3.28Å; I187-M189 PolarHBondContact O-N 2.98Å; I187-E190 PolarHBondContact O-N 3.42Å; I187-V191 WeakPolarHBondContact O-CG2 3.45Å; I187-V191 PolarHBondContact O-N 2.95Å; I187-V191 VanDerWaalsContact O-N 3.09Å
188S96.6Very high95.4Very high16 Ų1667.5 Ų67.511%0.11236%0.355CS..Hα-helixtrans-63.6-33.9178.2-173.30000112.5K184 H185 R186 V191 A192 L205K184-S188 VanDerWaalsContact O-CB 3.25Å; K184-S188 WeakPolarHBondContact O-CB 3.42Å; K184-S188 PolarHBondContact O-N 2.97Å; H185-S188 CarbonylContact O-C 3.58Å; H185-S188 WeakPolarHBondContact O-CA 3.33Å; H185-S188 WeakPolarHBondContact O-CB 3.46Å; H185-S188 PolarHBondContact O-N 3.32Å; R186-S188 VanDerWaalsContact C-N 3.31Å; R186-S188 PolarHBondContact O-N 2.82Å; S188-V191 PolarHBondContact O-N 2.85Å; S188-A192 PolarHBondContact O-N 3.3Å; S188-L205 VanDerWaalsContact OG-CB 3.29Å; S188-L205 WeakPolarHBondContact OG-CB 3.34Å; S188-L205 PolarHBondContact OG-N 3.22Å
189M97.5Very high95.7Very high18 Ų1871.9 Ų71.99%0.08937%0.372CS..Hα-helixtrans-75.3-35.3178.7-66.9-50.3112.900112.6H185 R186 I187 V191 A192 E193 K199 L200H185-M189 WeakPolarHBondContact O-CG 3.47Å; H185-M189 PolarHBondContact O-N 2.9Å; R186-M189 PolarHBondContact O-N 3.4Å; R186-M189 VanDerWaalsContact O-N 3.14Å; I187-M189 VanDerWaalsContact C-N 3.28Å; I187-M189 PolarHBondContact O-N 2.98Å; M189-V191 VanDerWaalsContact C-N 3.3Å; M189-A192 PolarHBondContact O-N 2.8Å; M189-E193 PolarHBondContact O-N 2.74Å; M189-K199 HydrophobicContact SD-CB 3.78Å; M189-K199 HydrophobicContact SD-CG 4.13Å; M189-L200 HydrophobicContact CE-CB 4.05Å; M189-L200 HydrophobicContact SD-CB 4.49Å; M189-L200 PolarHBondContact SD-N 3.29Å
190E96.9Very high95.9Very high97 Ų9766.9 Ų66.945%0.45335%0.354SS..Hα-helixtrans-60.3-42.4169.2-70.6167-171.800110.9R186 I187 E193 S194R186-E190 IonicContact CZ-OE1 2.92Å; R186-E190 IonicContact NH1-OE1 3.93Å; R186-E190 PolarHBondContact NH1-OE1 3.44Å; R186-E190 IonicContact NH1-OE2 2.67Å; R186-E190 PolarHBondContact O-N 2.81Å; I187-E190 PolarHBondContact O-N 3.42Å; E190-E193 PolarHBondContact O-N 3.11Å; E190-S194 WeakPolarHBondContact O-CB 3.35Å; E190-S194 PolarHBondContact O-N 2.82Å
191V95.5Very high96.1Very high55 Ų5570.2 Ų70.233%0.33337%0.369SS..Hα-helixtrans-64.3-42.5174.7173.60000111.4I187 S188 M189 E193 S194 K195 L205I187-V191 WeakPolarHBondContact O-CG2 3.45Å; I187-V191 PolarHBondContact O-N 2.95Å; I187-V191 VanDerWaalsContact O-N 3.09Å; S188-V191 PolarHBondContact O-N 2.85Å; M189-V191 VanDerWaalsContact C-N 3.3Å; V191-E193 PolarHBondContact O-N 3.16Å; V191-S194 WeakPolarHBondContact CA-OG 3.25Å; V191-S194 PolarHBondContact O-N 2.82Å; V191-S194 PolarHBondContact O-OG 3.43Å; V191-K195 HydrophobicContact CG1-CD 4.01Å; V191-K195 WeakPolarHBondContact O-CG 3.4Å; V191-K195 PolarHBondContact O-N 3.4Å; V191-K195 VanDerWaalsContact O-N 3.16Å; V191-L205 HydrophobicContact CG1-CD2 4.35Å
192A96.1Very high96.2Very high0 Ų069.5 Ų69.50%036%0.36CS..Hα-helixtrans-58.7-47.7177.200000111.2S188 M189 K195 G196 L197 L205S188-A192 PolarHBondContact O-N 3.3Å; M189-A192 PolarHBondContact O-N 2.8Å; A192-K195 CarbonylContact O-C 3.59Å; A192-K195 PolarHBondContact O-N 2.78Å; A192-G196 PolarHBondContact O-N 3.36Å; A192-G196 VanDerWaalsContact O-N 3.12Å; A192-L197 CarbonylContact C-O 3.56Å; A192-L197 HydrophobicContact CB-CB 4.32Å; A192-L197 PolarHBondContact O-N 2.98Å; A192-L205 HydrophobicContact CB-CD1 4.42Å; A192-L205 HydrophobicContact CB-CD2 4.44Å
193E96.4Very high96.4Very high124 Ų12462.9 Ų62.958%0.57933%0.329SS*.Hα-helixtrans-59.8-47.5176.6-175.6161.4-148.200112.5M189 E190 V191 K195 G196 K199M189-E193 PolarHBondContact O-N 2.74Å; E190-E193 PolarHBondContact O-N 3.11Å; V191-E193 PolarHBondContact O-N 3.16Å; E193-K195 PolarHBondContact O-N 3.5Å; E193-K195 VanDerWaalsContact O-N 3.11Å; E193-G196 PolarHBondContact O-N 3.42Å; E193-K199 VanDerWaalsContact CD-NZ 3.28Å; E193-K199 IonicContact OE1-NZ 3.67Å; E193-K199 WeakPolarHBondContact OE2-CE 3.42Å; E193-K199 IonicContact OE2-NZ 3.73Å; E193-K199 PolarHBondContact OE2-NZ 3.31Å
194S96.5Very high96.5Very high94 Ų9459.5 Ų59.566%0.65731%0.308SS*.Hα-helixtrans-60.7-24.1178.573.90000113.9E190 V191E190-S194 WeakPolarHBondContact O-CB 3.35Å; E190-S194 PolarHBondContact O-N 2.82Å; V191-S194 WeakPolarHBondContact CA-OG 3.25Å; V191-S194 PolarHBondContact O-N 2.82Å; V191-S194 PolarHBondContact O-OG 3.43Å
195K94.3Very high96.6Very high142 Ų14258.6 Ų58.662%0.61731%0.305SS*.THydrogen-bonded Turntrans-100.61.7180-68.3-177.6177.9-175.90113.2V191 A192 E193 L197V191-K195 HydrophobicContact CG1-CD 4.01Å; V191-K195 WeakPolarHBondContact O-CG 3.4Å; V191-K195 PolarHBondContact O-N 3.4Å; V191-K195 VanDerWaalsContact O-N 3.16Å; A192-K195 CarbonylContact O-C 3.59Å; A192-K195 PolarHBondContact O-N 2.78Å; E193-K195 PolarHBondContact O-N 3.5Å; E193-K195 VanDerWaalsContact O-N 3.11Å; K195-L197 HydrophobicContact CB-CD1 3.94Å; K195-L197 HydrophobicContact CB-CG 4.04Å; K195-L197 HydrophobicContact CD-CD1 4.24Å; K195-L197 PolarHBondContact O-N 3.4Å
196G95.1Very high96.5Very high72 Ų7257.7 Ų57.774%0.74230%0.301SS*.THydrogen-bonded Turntrans63.426.2-174.400000113.6A192 E193A192-G196 PolarHBondContact O-N 3.36Å; A192-G196 VanDerWaalsContact O-N 3.12Å; E193-G196 PolarHBondContact O-N 3.42Å
197L95.3Very high96.4Very high43 Ų4355.7 Ų55.723%0.22529%0.294CS..PPolyproline II helixtrans-93.1147.4177.5-67.3170.3000110.5A192 K195 K199 L205A192-L197 CarbonylContact C-O 3.56Å; A192-L197 HydrophobicContact CB-CB 4.32Å; A192-L197 PolarHBondContact O-N 2.98Å; K195-L197 HydrophobicContact CB-CD1 3.94Å; K195-L197 HydrophobicContact CB-CG 4.04Å; K195-L197 HydrophobicContact CD-CD1 4.24Å; K195-L197 PolarHBondContact O-N 3.4Å; L197-K199 PolarHBondContact O-N 2.97Å; L197-L205 HydrophobicContact CB-CD1 4.3Å; L197-L205 HydrophobicContact CD1-CD1 4.04Å; L197-L205 HydrophobicContact CD1-CD2 3.7Å; L197-L205 HydrophobicContact CD1-CG 4.41Å
198P95.8Very high96.3Very high65 Ų6555.2 Ų55.242%0.42229%0.293SS..PPolyproline II helixtrans-56137.4174.8-26.435.8000112.4Q279P198-Q279 HydrophobicContact CB-CG 4.41Å
199K96.8Very high96.2Very high116 Ų11658.7 Ų58.750%0.50431%0.306SS..PPolyproline II helixtrans-74.2137.3172.7-68.9-177.2176.7177.40109.5M189 E193 L197M189-K199 HydrophobicContact SD-CB 3.78Å; M189-K199 HydrophobicContact SD-CG 4.13Å; E193-K199 VanDerWaalsContact CD-NZ 3.28Å; E193-K199 IonicContact OE1-NZ 3.67Å; E193-K199 WeakPolarHBondContact OE2-CE 3.42Å; E193-K199 IonicContact OE2-NZ 3.73Å; E193-K199 PolarHBondContact OE2-NZ 3.31Å; L197-K199 PolarHBondContact O-N 2.97Å
200L97.9Very high96Very high10 Ų1058.9 Ų58.95%0.05231%0.312CS..  trans-104.4145.8176.3-55.8178000109H185 M189 H203 Y278 Q279 D282H185-L200 PolarHBondContact CE1-O 2.85Å; H185-L200 PolarHBondContact NE2-O 3.17Å; M189-L200 HydrophobicContact CE-CB 4.05Å; M189-L200 HydrophobicContact SD-CB 4.49Å; M189-L200 PolarHBondContact SD-N 3.29Å; L200-H203 WeakPolarHBondContact CB-O 3.44Å; L200-H203 HydrophobicContact CD1-CB 4.23Å; L200-Y278 HydrophobicContact CD1-CD1 4.42Å; L200-Q279 HydrophobicContact CD2-CB 4.44Å; L200-Q279 HydrophobicContact CD2-CG 3.86Å; L200-D282 HydrophobicContact CD2-CB 4.08Å
201K97.1Very high96Very high113 Ų11354.3 Ų54.349%0.49129%0.291SS..SBendtrans-92.5-33.4-177.1-173.5175171.5-165.30113.1H185 D282 E286H185-K201 PolarHBondContact NE2-O 3.18Å; K201-D282 VanDerWaalsContact N-CG 3.3Å; K201-D282 PolarHBondContact N-OD1 2.8Å; K201-D282 VanDerWaalsContact N-OD1 3.11Å; K201-D282 PolarHBondContact N-OD2 2.8Å; K201-E286 WeakPolarHBondContact CD-OE2 3.44Å; K201-E286 IonicContact NZ-OE1 2.72Å; K201-E286 PolarHBondContact NZ-OE1 3.26Å; K201-E286 IonicContact NZ-OE2 2.98Å; K201-E286 PolarHBondContact NZ-OE2 3.15Å
202Y96.8Very high96.1Very high42 Ų4252 Ų5217%0.16528%0.277CS..SBendtrans-121.9-10.6-169.3-57.6-69.9000115F180 D282 Q285 E286 N289F180-Y202 WeakPolarHBondContact CD2-O 3.33Å; F180-Y202 WeakPolarHBondContact CE2-O 3.37Å; Y202-D282 WeakPolarHBondContact CA-OD1 3.07Å; Y202-D282 PolarHBondContact N-OD1 2.99Å; Y202-Q285 VanDerWaalsContact CB-CG 3.47Å; Y202-Q285 HydrophobicContact CD1-CG 4.09Å; Y202-Q285 HydrophobicContact CD2-CB 3.95Å; Y202-Q285 HydrophobicContact CD2-CG 3.91Å; Y202-Q285 HydrophobicContact CG-CB 4.06Å; Y202-Q285 HydrophobicContact CG-CG 3.55Å; Y202-E286 HydrophobicContact CE2-CB 3.7Å; Y202-E286 HydrophobicContact CE2-CG 4.38Å; Y202-E286 WeakPolarHBondContact CE2-OE2 3.5Å; Y202-E286 PolarHBondContact OH-OE1 2.95Å; Y202-E286 PolarHBondContact OH-OE2 2.71Å; Y202-N289 WeakPolarHBondContact CE1-ND2 3.33Å; Y202-N289 VanDerWaalsContact CZ-ND2 3.27Å; Y202-N289 PolarHBondContact OH-ND2 3.38Å
203H97.4Very high96.1Very high0 Ų052.2 Ų52.20%028%0.278CS..SBendtrans-123.9156.1179-59-72.7000111.5L200 Y278 K281 D282L200-H203 WeakPolarHBondContact CB-O 3.44Å; L200-H203 HydrophobicContact CD1-CB 4.23Å; H203-Y278 HydrophobicContact CB-CD1 3.95Å; H203-Y278 HydrophobicContact CB-CE1 4.24Å; H203-K281 PolarHBondContact NE2-O 3.19Å; H203-D282 IonicContact CD2-OD1 3.87Å; H203-D282 PolarHBondContact CD2-OD1 3.33Å; H203-D282 PolarHBondContact N-OD1 2.9Å
204L97.8Very high96.1Very high6 Ų646.3 Ų46.33%0.03125%0.251CS..PPolyproline II helixtrans-75.6156165.1-53.2-177.3000110.4E176 T178 F180 K184 H185E176-L204 HydrophobicContact CB-CB 4.04Å; E176-L204 HydrophobicContact CB-CD1 4.39Å; E176-L204 HydrophobicContact CG-CB 4.02Å; E176-L204 WeakPolarHBondContact OE2-CG 3.27Å; E176-L204 PolarHBondContact OE2-N 3.02Å; T178-L204 HydrophobicContact CG2-CD1 3.57Å; F180-L204 HydrophobicContact CD2-CD2 3.98Å; F180-L204 HydrophobicContact CD2-CG 4.18Å; F180-L204 HydrophobicContact CE2-CD2 4.33Å; K184-L204 HydrophobicContact CB-CD1 4.26Å; K184-L204 HydrophobicContact CB-CD2 4.26Å; H185-L204 HydrophobicContact CB-CD2 3.91Å
205L97.1Very high96.1Very high23 Ų2342 Ų4212%0.1222%0.22CC..PPolyproline II helixtrans-63.1127.3173.9-172.176.1000109.3S188 V191 A192 L197S188-L205 VanDerWaalsContact OG-CB 3.29Å; S188-L205 WeakPolarHBondContact OG-CB 3.34Å; S188-L205 PolarHBondContact OG-N 3.22Å; V191-L205 HydrophobicContact CG1-CD2 4.35Å; A192-L205 HydrophobicContact CB-CD1 4.42Å; A192-L205 HydrophobicContact CB-CD2 4.44Å; L197-L205 HydrophobicContact CB-CD1 4.3Å; L197-L205 HydrophobicContact CD1-CD1 4.04Å; L197-L205 HydrophobicContact CD1-CD2 3.7Å; L197-L205 HydrophobicContact CD1-CG 4.41Å
206P96.8Very high96.1Very high6 Ų641.7 Ų41.74%0.03922%0.221CC..PPolyproline II helixtrans-69.5141.3-176.228.5-36.3000111.9C175 L274 Y278C175-P206 HydrophobicContact CB-CB 4Å; P206-L274 HydrophobicContact CB-CD2 3.85Å; P206-L274 HydrophobicContact CB-CG 3.96Å; P206-L274 HydrophobicContact CG-CD2 4.41Å; P206-L274 HydrophobicContact CG-CG 4.15Å; P206-Y278 HydrophobicContact CB-CD1 4.33Å; P206-Y278 HydrophobicContact CB-CD2 3.56Å; P206-Y278 HydrophobicContact CB-CE1 4.38Å; P206-Y278 HydrophobicContact CB-CE2 3.6Å; P206-Y278 HydrophobicContact CB-CG 3.93Å; P206-Y278 HydrophobicContact CG-CD1 4.32Å; P206-Y278 HydrophobicContact CG-CD2 3.58Å; P206-Y278 HydrophobicContact CG-CE2 4.18Å; P206-Y278 HydrophobicContact CG-CG 3.65Å
207R94Very high96.2Very high90 Ų9039.2 Ų39.234%0.3419%0.192SC..PPolyproline II helixtrans-85.2119.7167.2-56.5-176.3-173.5-151.1-2.2108.6C175C175-R207 WeakPolarHBondContact O-CB 3.2Å; C175-R207 PolarHBondContact O-N 2.64Å
208T95.3Very high96.2Very high28 Ų2837.2 Ų37.217%0.17218%0.182CC..Hα-helixtrans-85-34.3-167.953.90000113.6G210 F211 T212 A271 L274T208-G210 VanDerWaalsContact C-N 3.34Å; T208-G210 PolarHBondContact O-N 3.42Å; T208-F211 WeakPolarHBondContact O-CB 3.41Å; T208-F211 PolarHBondContact O-N 3.42Å; T208-T212 PolarHBondContact O-N 3.36Å; T208-T212 PolarHBondContact O-OG1 3.28Å; T208-A271 HydrophobicContact CG2-CB 3.64Å; T208-L274 HydrophobicContact CG2-CD2 3.97Å
209K93.6Very high96.1Very high88 Ų8837.7 Ų37.738%0.38318%0.175SC..Hα-helixtrans-53.2-43.5-172.4-68.7-65.8-175.7-178.30114.6W148 T212 T213 E267W148-K209 HydrophobicContact CD2-CB 4.43Å; W148-K209 HydrophobicContact CE3-CB 4.28Å; K209-T212 PolarHBondContact O-OG1 3.46Å; K209-T213 VanDerWaalsContact O-CB 3.24Å; K209-T213 WeakPolarHBondContact O-CB 3.46Å; K209-T213 PolarHBondContact O-N 2.87Å; K209-T213 PolarHBondContact O-OG1 3.24Å; K209-E267 VanDerWaalsContact CD-OE1 3.32Å; K209-E267 WeakPolarHBondContact CD-OE1 3.13Å; K209-E267 WeakPolarHBondContact CE-OE1 3.4Å; K209-E267 IonicContact NZ-OE1 3.63Å; K209-E267 PolarHBondContact NZ-OE1 3.37Å; K209-E267 IonicContact NZ-OE2 2.77Å
210G93.8Very high96Very high22 Ų2236 Ų3623%0.22719%0.19CC..Hα-helixtrans-64.8-41.5179.100000112.3T208 A214T208-G210 VanDerWaalsContact C-N 3.34Å; T208-G210 PolarHBondContact O-N 3.42Å; G210-A214 VanDerWaalsContact O-CB 3.3Å; G210-A214 WeakPolarHBondContact O-CB 3.27Å; G210-A214 PolarHBondContact O-N 3.15Å; G210-A214 VanDerWaalsContact O-N 3.08Å
211F96.9Very high95.9Very high1 Ų136.8 Ų36.80%0.00420%0.196CC..Hα-helixtrans-68.2-51.6177169.3-105.1000112.1I93 L173 T208 T213 A214 V215 V225 I263 A270 W273 L274I93-F211 HydrophobicContact CD1-CD2 3.82Å; I93-F211 HydrophobicContact CD1-CE2 3.69Å; I93-F211 HydrophobicContact CD1-CZ 4.48Å; I93-F211 HydrophobicContact CG1-CD2 4.4Å; L173-F211 HydrophobicContact CD1-CB 4.21Å; L173-F211 HydrophobicContact CD1-CD2 4.28Å; T208-F211 WeakPolarHBondContact O-CB 3.41Å; T208-F211 PolarHBondContact O-N 3.42Å; F211-T213 VanDerWaalsContact C-N 3.29Å; F211-T213 PolarHBondContact O-N 3.32Å; F211-A214 PolarHBondContact O-N 3.41Å; F211-A214 VanDerWaalsContact O-N 3.13Å; F211-V215 HydrophobicContact CD2-CG2 3.98Å; F211-V215 HydrophobicContact CE1-CG2 4.12Å; F211-V215 HydrophobicContact CE2-CG2 3.46Å; F211-V215 VanDerWaalsContact CE2-CG2 3.46Å; F211-V215 HydrophobicContact CG-CG2 4.49Å; F211-V215 HydrophobicContact CZ-CG2 3.55Å; F211-V215 WeakPolarHBondContact O-CG2 3.27Å; F211-V215 PolarHBondContact O-N 2.8Å; F211-V225 HydrophobicContact CE2-CG1 4.34Å; F211-V225 HydrophobicContact CE2-CG2 4.19Å; F211-I263 HydrophobicContact CE1-CG2 4.46Å; F211-I263 HydrophobicContact CZ-CG2 4Å; F211-A270 HydrophobicContact CE1-CB 4.46Å; F211-W273 AromaticContact CE1-CE3 3.75Å; F211-W273 HydrophobicContact CE1-CE3 3.75Å; F211-W273 AromaticContact CE1-CZ3 3.97Å; F211-W273 HydrophobicContact CE1-CZ3 3.97Å; F211-W273 AromaticContact CE2-CZ3 3.99Å; F211-W273 HydrophobicContact CE2-CZ3 3.99Å; F211-W273 AromaticContact CZ-CE3 3.55Å; F211-W273 HydrophobicContact CZ-CE3 3.55Å; F211-W273 HydrophobicContact CZ-CH2 4.41Å; F211-W273 AromaticContact CZ-CZ3 3.34Å; F211-W273 HydrophobicContact CZ-CZ3 3.34Å; F211-L274 HydrophobicContact CB-CD2 3.84Å; F211-L274 HydrophobicContact CD1-CB 3.97Å; F211-L274 HydrophobicContact CD1-CD1 4.22Å; F211-L274 HydrophobicContact CD1-CD2 3.91Å; F211-L274 HydrophobicContact CD1-CG 4.26Å; F211-L274 HydrophobicContact CE1-CB 4.13Å; F211-L274 HydrophobicContact CG-CD1 4.21Å; F211-L274 HydrophobicContact CG-CD2 4.01Å
212T97.1Very high95.9Very high6 Ų631.7 Ų31.74%0.03717%0.174CC..Hα-helixtrans-61.4-40.2-177.957.70000111.5T208 K209 Q216 E267 A270 A271T208-T212 PolarHBondContact O-N 3.36Å; T208-T212 PolarHBondContact O-OG1 3.28Å; K209-T212 PolarHBondContact O-OG1 3.46Å; T212-Q216 WeakPolarHBondContact O-CB 3.1Å; T212-Q216 PolarHBondContact O-N 3.47Å; T212-E267 HydrophobicContact CG2-CG 4.1Å; T212-A270 HydrophobicContact CG2-CB 3.93Å; T212-A271 HydrophobicContact CG2-CB 4.25Å
213T95.8Very high95.9Very high6 Ų632.3 Ų32.34%0.03719%0.185CC..Hα-helixtrans-65.1-43175-53.50000112W148 V155 I156 L159 K209 F211 Q216 C217W148-T213 HydrophobicContact CH2-CG2 4Å; W148-T213 WeakPolarHBondContact CH2-OG1 3.44Å; W148-T213 HydrophobicContact CZ3-CG2 4.47Å; V155-T213 HydrophobicContact CG1-CG2 4.23Å; I156-T213 HydrophobicContact CG1-CG2 3.73Å; L159-T213 HydrophobicContact CD1-CG2 3.87Å; K209-T213 VanDerWaalsContact O-CB 3.24Å; K209-T213 WeakPolarHBondContact O-CB 3.46Å; K209-T213 PolarHBondContact O-N 2.87Å; K209-T213 PolarHBondContact O-OG1 3.24Å; F211-T213 VanDerWaalsContact C-N 3.29Å; F211-T213 PolarHBondContact O-N 3.32Å; T213-Q216 PolarHBondContact O-N 2.93Å; T213-C217 WeakPolarHBondContact O-CB 3.41Å; T213-C217 PolarHBondContact O-N 2.69Å; T213-C217 PolarHBondContact O-SG 2.85Å
214A96.3Very high96Very high0 Ų032.3 Ų32.30%019%0.185CC..Hα-helixtrans-63-47.1177.500000111.7I91 L159 F171 L173 G210 F211 Q216 C217 L218I91-A214 HydrophobicContact CD1-CB 4.04Å; L159-A214 HydrophobicContact CD1-CB 4.35Å; L159-A214 HydrophobicContact CD2-CB 4.28Å; F171-A214 HydrophobicContact CE1-CB 4.14Å; L173-A214 HydrophobicContact CD1-CB 4.03Å; G210-A214 VanDerWaalsContact O-CB 3.3Å; G210-A214 WeakPolarHBondContact O-CB 3.27Å; G210-A214 PolarHBondContact O-N 3.15Å; G210-A214 VanDerWaalsContact O-N 3.08Å; F211-A214 PolarHBondContact O-N 3.41Å; F211-A214 VanDerWaalsContact O-N 3.13Å; A214-Q216 VanDerWaalsContact C-N 3.33Å; A214-Q216 PolarHBondContact O-N 3.49Å; A214-C217 PolarHBondContact O-N 3.36Å; A214-L218 VanDerWaalsContact O-CB 3.24Å; A214-L218 WeakPolarHBondContact O-CB 3.47Å; A214-L218 WeakPolarHBondContact O-CG 3.22Å; A214-L218 PolarHBondContact O-N 2.77Å
215V96.5Very high96Very high3 Ų332 Ų322%0.01818%0.183CC..Hα-helixtrans-57.4-46.9175.2167.70000110.7I91 F211 R219 L260 I263I91-V215 HydrophobicContact CD1-CG2 3.91Å; F211-V215 HydrophobicContact CD2-CG2 3.98Å; F211-V215 HydrophobicContact CE1-CG2 4.12Å; F211-V215 HydrophobicContact CE2-CG2 3.46Å; F211-V215 VanDerWaalsContact CE2-CG2 3.46Å; F211-V215 HydrophobicContact CG-CG2 4.49Å; F211-V215 HydrophobicContact CZ-CG2 3.55Å; F211-V215 WeakPolarHBondContact O-CG2 3.27Å; F211-V215 PolarHBondContact O-N 2.8Å; V215-R219 WeakPolarHBondContact O-CB 3.26Å; V215-R219 PolarHBondContact O-N 2.91Å; V215-R219 VanDerWaalsContact O-N 3.13Å; V215-L260 HydrophobicContact CG1-CD1 4.22Å; V215-L260 HydrophobicContact CG2-CD1 4.48Å; V215-I263 HydrophobicContact CG1-CG2 3.97Å; V215-I263 HydrophobicContact CG2-CG2 4.25Å
216Q95.3Very high96.1Very high136 Ų13631.1 Ų31.164%0.63618%0.178SC*.Hα-helixtrans-65.7-46.1-179.4-171.9-178.89.900112.4T212 T213 A214T212-Q216 WeakPolarHBondContact O-CB 3.1Å; T212-Q216 PolarHBondContact O-N 3.47Å; T213-Q216 PolarHBondContact O-N 2.93Å; A214-Q216 VanDerWaalsContact C-N 3.33Å; A214-Q216 PolarHBondContact O-N 3.49Å
217C96.1Very high96.2Very high20 Ų2030.8 Ų30.814%0.13518%0.176CC..Hα-helixtrans-75.1-29.2-175.1-66.20000113.4L159 K160 T213 A214L159-C217 HydrophobicContact CB-CB 3.59Å; L159-C217 HydrophobicContact CD1-CB 4.16Å; L159-C217 HydrophobicContact CG-CB 4.5Å; K160-C217 HydrophobicContact CG-CB 4.43Å; T213-C217 WeakPolarHBondContact O-CB 3.41Å; T213-C217 PolarHBondContact O-N 2.69Å; T213-C217 PolarHBondContact O-SG 2.85Å; A214-C217 PolarHBondContact O-N 3.36Å
218L95.9Very high96.4Very high0 Ų027.2 Ų27.20%016%0.164CC..Hα-helixtrans-98.91.6-178.2-60.4176.4000112.9I91 L159 L162 M169 F171 A214 G220 T221 V222I91-L218 HydrophobicContact CD1-CD1 4.3Å; I91-L218 HydrophobicContact CG1-CD1 4.15Å; L159-L218 HydrophobicContact CD2-CD1 4.11Å; L159-L218 HydrophobicContact CD2-CG 4.33Å; L159-L218 WeakPolarHBondContact O-CD2 3.16Å; L162-L218 HydrophobicContact CB-CD2 4.2Å; M169-L218 HydrophobicContact CE-CD1 4.23Å; M169-L218 HydrophobicContact CE-CD2 4.3Å; F171-L218 HydrophobicContact CD1-CD1 4.4Å; F171-L218 HydrophobicContact CG-CD1 4.38Å; A214-L218 VanDerWaalsContact O-CB 3.24Å; A214-L218 WeakPolarHBondContact O-CB 3.47Å; A214-L218 WeakPolarHBondContact O-CG 3.22Å; A214-L218 PolarHBondContact O-N 2.77Å; L218-G220 PolarHBondContact O-N 3.41Å; L218-T221 WeakPolarHBondContact O-CB 3.33Å; L218-T221 PolarHBondContact O-N 2.86Å; L218-V222 HydrophobicContact CB-CG1 3.89Å; L218-V222 HydrophobicContact CB-CG2 3.94Å; L218-V222 HydrophobicContact CD1-CG1 4.11Å; L218-V222 PolarHBondContact O-N 2.85Å
219R94.6Very high96.5Very high75 Ų7525.9 Ų25.928%0.28316%0.156SC..BIsolated β-bridgetrans-60.2128.8174.4-165.5171.7-73.6-888.6109.6V215 L260 I263 P264V215-R219 WeakPolarHBondContact O-CB 3.26Å; V215-R219 PolarHBondContact O-N 2.91Å; V215-R219 VanDerWaalsContact O-N 3.13Å; R219-L260 HydrophobicContact CB-CD2 4.15Å; R219-L260 HydrophobicContact CG-CD2 3.95Å; R219-L260 PolarHBondContact NH1-O 2.95Å; R219-L260 VanDerWaalsContact NH1-O 3.11Å; R219-I263 PolarHBondContact NH2-O 2.92Å; R219-P264 PolarHBondContact NH2-O 3.32Å
220G93.3Very high96.7Very high80 Ų8021.7 Ų21.783%0.82514%0.138SC*.THydrogen-bonded Turntrans92.8-14.5-171.900000114.5L218L218-G220 PolarHBondContact O-N 3.41Å
221T95.6Very high96.9Very high27 Ų2721 Ų2117%0.16613%0.129CC..THydrogen-bonded Turntrans-106.2-50.6172-55.60000111.6S163 L218S163-T221 WeakPolarHBondContact CA-OG1 3.35Å; S163-T221 WeakPolarHBondContact CB-OG1 3.2Å; S163-T221 VanDerWaalsContact O-CG2 3.29Å; S163-T221 WeakPolarHBondContact O-CG2 3.39Å; S163-T221 PolarHBondContact O-OG1 3.49Å; L218-T221 WeakPolarHBondContact O-CB 3.33Å; L218-T221 PolarHBondContact O-N 2.86Å
222V97.3Very high96.8Very high7 Ų720.9 Ų20.94%0.04213%0.128CC..BIsolated β-bridgetrans-84.2141178.7-590000110.9H89 I91 L218 L260H89-V222 HydrophobicContact CB-CB 4.37Å; H89-V222 HydrophobicContact CB-CG1 3.95Å; H89-V222 CarbonylContact O-C 3.28Å; H89-V222 VanDerWaalsContact O-CA 3.27Å; H89-V222 WeakPolarHBondContact O-CA 3.17Å; H89-V222 WeakPolarHBondContact O-CB 3.41Å; I91-V222 HydrophobicContact CD1-CG2 4.13Å; I91-V222 HydrophobicContact CG1-CG1 4.36Å; I91-V222 HydrophobicContact CG1-CG2 4.21Å; L218-V222 HydrophobicContact CB-CG1 3.89Å; L218-V222 HydrophobicContact CB-CG2 3.94Å; L218-V222 HydrophobicContact CD1-CG1 4.11Å; L218-V222 PolarHBondContact O-N 2.85Å; V222-L260 HydrophobicContact CG2-CD1 3.91Å; V222-L260 HydrophobicContact CG2-CD2 3.66Å; V222-L260 HydrophobicContact CG2-CG 4.31Å; V222-L260 WeakPolarHBondContact O-CD2 3.45Å
223S98Very high96.7Very high55 Ų5523.7 Ų23.739%0.38514%0.138SC..  trans-95.1-26.3-177.7-570000112.4E88 H89 L260E88-S223 WeakPolarHBondContact OE2-CB 3.43Å; H89-S223 PolarHBondContact O-N 2.86Å; S223-L260 PolarHBondContact O-N 3.13Å
224A98.4Very high96.4Very high0 Ų026.8 Ų26.80%017%0.171CC..EExtended strand (participates in β ladder)trans-154.1162.5-176.100000113.4V90 I91 Y226 R257 F258V90-A224 VanDerWaalsContact CA-O 3.28Å; V90-A224 WeakPolarHBondContact CA-O 3.46Å; V90-A224 WeakPolarHBondContact CB-O 3.41Å; V90-A224 HydrophobicContact CG1-CB 4.26Å; I91-A224 PolarHBondContact N-O 2.8Å; I91-A224 VanDerWaalsContact N-O 3.11Å; A224-Y226 HydrophobicContact CB-CD1 4.23Å; A224-Y226 HydrophobicContact CB-CE1 3.97Å; A224-R257 HydrophobicContact CB-CG 3.98Å; A224-F258 CarbonylContact C-O 3.52Å; A224-F258 VanDerWaalsContact CA-O 3.27Å; A224-F258 WeakPolarHBondContact CA-O 3.46Å; A224-F258 WeakPolarHBondContact CB-O 3.39Å
225V98.7Very high95.9Very high0 Ų032.7 Ų32.70%020%0.203CC..EExtended strand (participates in β ladder)trans-101124.8161.8179.90000108.1I91 I93 F211 F258 L260 I263 W273I91-V225 HydrophobicContact CB-CG2 4.33Å; I91-V225 CarbonylContact O-C 3.53Å; I91-V225 VanDerWaalsContact O-CA 3.31Å; I91-V225 WeakPolarHBondContact O-CA 3.17Å; I93-V225 HydrophobicContact CD1-CG1 3.67Å; I93-V225 HydrophobicContact CG1-CG1 4.05Å; F211-V225 HydrophobicContact CE2-CG1 4.34Å; F211-V225 HydrophobicContact CE2-CG2 4.19Å; V225-F258 HydrophobicContact CB-CB 4.49Å; V225-F258 PolarHBondContact N-O 3.03Å; V225-F258 PolarHBondContact O-N 3.08Å; V225-L260 HydrophobicContact CG2-CD1 4.1Å; V225-I263 HydrophobicContact CG2-CD1 4.26Å; V225-I263 HydrophobicContact CG2-CG1 3.94Å; V225-W273 HydrophobicContact CG1-CH2 4.16Å
226Y98.7Very high95.6Very high3 Ų336.2 Ų36.21%0.01222%0.218CC..EExtended strand (participates in β ladder)trans-97.6114.7170.3-70-0.7000109.2T84 F85 E88 V90 I91 I92 I93 W170 A224 V255 R257T84-Y226 PolarHBondContact OG1-OH 3.43Å; F85-Y226 HydrophobicContact CD1-CD2 4.33Å; F85-Y226 AromaticContact CD1-CE2 3.39Å; F85-Y226 HydrophobicContact CD1-CE2 3.39Å; F85-Y226 AromaticContact CD1-CZ 3.62Å; F85-Y226 WeakPolarHBondContact CD1-OH 3.41Å; F85-Y226 AromaticContact CE1-CD2 3.92Å; F85-Y226 HydrophobicContact CE1-CD2 3.92Å; F85-Y226 HydrophobicContact CE1-CE1 4.4Å; F85-Y226 AromaticContact CE1-CE2 3.37Å; F85-Y226 HydrophobicContact CE1-CE2 3.37Å; F85-Y226 AromaticContact CE1-CZ 3.66Å; F85-Y226 HydrophobicContact CG-CE2 4.44Å; F85-Y226 HydrophobicContact CZ-CE2 4.41Å; E88-Y226 VanDerWaalsContact OE1-CE1 3.3Å; E88-Y226 WeakPolarHBondContact OE1-CE1 3.34Å; E88-Y226 VanDerWaalsContact OE1-CZ 3.29Å; E88-Y226 PolarHBondContact OE1-OH 2.99Å; V90-Y226 HydrophobicContact CB-CD1 4.39Å; V90-Y226 HydrophobicContact CB-CD2 4.36Å; V90-Y226 HydrophobicContact CB-CE1 4.41Å; V90-Y226 HydrophobicContact CB-CE2 4.4Å; V90-Y226 HydrophobicContact CB-CG 4.34Å; V90-Y226 HydrophobicContact CG1-CD1 4.14Å; V90-Y226 HydrophobicContact CG1-CD2 4.4Å; V90-Y226 HydrophobicContact CG1-CE1 3.7Å; V90-Y226 HydrophobicContact CG1-CE2 4Å; V90-Y226 HydrophobicContact CG1-CG 4.46Å; V90-Y226 HydrophobicContact CG2-CD2 3.83Å; V90-Y226 HydrophobicContact CG2-CE2 3.94Å; V90-Y226 HydrophobicContact CG2-CG 4.23Å; I91-Y226 PolarHBondContact O-N 3.19Å; I92-Y226 CarbonylContact C-O 3.58Å; I92-Y226 WeakPolarHBondContact CA-O 3.41Å; I93-Y226 PolarHBondContact N-O 3.45Å; W170-Y226 HydrophobicContact CH2-CE2 4.39Å; W170-Y226 AromaticContact CZ2-CE2 3.89Å; W170-Y226 HydrophobicContact CZ2-CE2 3.89Å; A224-Y226 HydrophobicContact CB-CD1 4.23Å; A224-Y226 HydrophobicContact CB-CE1 3.97Å; Y226-V255 HydrophobicContact CG-CG1 4.41Å; Y226-R257 HydrophobicContact CD1-CB 4.1Å; Y226-R257 HydrophobicContact CD1-CG 3.94Å; Y226-R257 HydrophobicContact CE1-CB 4.11Å; Y226-R257 HydrophobicContact CE1-CG 3.63Å
227D98.5Very high95.4Very high0 Ų035.4 Ų35.40%022%0.218CC..EExtended strand (participates in β ladder)trans-88116.7173.2-176.857000110.2V255 R256 F258 L277 K281D227-V255 CarbonylContact O-C 3.47Å; D227-V255 VanDerWaalsContact O-CA 3.32Å; D227-V255 WeakPolarHBondContact O-CA 3.39Å; D227-R256 HydrophobicContact CB-CB 4.23Å; D227-R256 PolarHBondContact N-O 3.1Å; D227-R256 PolarHBondContact O-N 3.04Å; D227-R256 IonicContact OD2-CZ 3.47Å; D227-R256 IonicContact OD2-NE 3.77Å; D227-R256 PolarHBondContact OD2-NE 2.86Å; D227-R256 IonicContact OD2-NH2 2.68Å; D227-R256 PolarHBondContact OD2-NH2 3.4Å; D227-F258 HydrophobicContact CB-CD2 4.13Å; D227-F258 HydrophobicContact CB-CE2 3.69Å; D227-L277 HydrophobicContact CB-CD1 4.07Å; D227-L277 HydrophobicContact CB-CD2 4.43Å; D227-L277 WeakPolarHBondContact OD1-CD2 3.29Å; D227-K281 WeakPolarHBondContact OD1-CE 3.2Å; D227-K281 IonicContact OD1-NZ 2.61Å; D227-K281 PolarHBondContact OD1-NZ 3.43Å; D227-K281 IonicContact OD2-NZ 3.26Å; D227-K281 PolarHBondContact OD2-NZ 3.41Å
228V98.4Very high95.3Very high14 Ų1434.5 Ų34.59%0.08521%0.212CC..EExtended strand (participates in β ladder)trans-118.8126.4-175-171.20000110.6I92 I93 L94 M253 C254 V255 K281I92-V228 HydrophobicContact CG2-CB 4.5Å; I92-V228 HydrophobicContact CG2-CG2 3.73Å; I93-V228 PolarHBondContact O-N 3.36Å; L94-V228 WeakPolarHBondContact CA-O 3.44Å; L94-V228 HydrophobicContact CD1-CB 3.76Å; L94-V228 HydrophobicContact CD1-CG1 3.52Å; V228-M253 HydrophobicContact CG1-CB 4.35Å; V228-M253 HydrophobicContact CG1-CG 4.46Å; V228-C254 CarbonylContact C-O 3.51Å; V228-C254 VanDerWaalsContact CA-O 3.3Å; V228-C254 WeakPolarHBondContact CA-O 3.49Å; V228-V255 HydrophobicContact CB-CG2 4.48Å; V228-V255 HydrophobicContact CG1-CG2 4.06Å; V228-V255 HydrophobicContact CG2-CG1 4.23Å; V228-V255 HydrophobicContact CG2-CG2 3.98Å; V228-K281 VanDerWaalsContact C-NZ 3.25Å; V228-K281 PolarHBondContact O-NZ 3Å
229T98.2Very high95.1Very high0 Ų036.1 Ų36.10%022%0.223CC..EExtended strand (participates in β ladder)trans-116.1116.2171.1-57.10000108.6N95 M253 C254 K281 L284 F294N95-T229 WeakPolarHBondContact OD1-CA 3.41Å; T229-M253 CarbonylContact O-C 3.53Å; T229-M253 WeakPolarHBondContact O-CA 3.46Å; T229-C254 PolarHBondContact N-O 3.24Å; T229-C254 PolarHBondContact O-N 3.03Å; T229-K281 PolarHBondContact OG1-NZ 2.83Å; T229-L284 HydrophobicContact CG2-CD2 4.34Å; T229-F294 HydrophobicContact CG2-CE1 4.02Å; T229-F294 HydrophobicContact CG2-CZ 3.87Å
230L97.8Very high94.9Very high0 Ų035.6 Ų35.60%023%0.226CC..EExtended strand (participates in β ladder)trans-104.4132.3-179.416967.2000110L94 N95 D101 C104 F232 A251 D252 M253L94-L230 HydrophobicContact CD1-CB 3.87Å; N95-L230 PolarHBondContact ND2-O 2.85Å; N95-L230 VanDerWaalsContact ND2-O 3.09Å; N95-L230 PolarHBondContact OD1-N 2.82Å; D101-L230 HydrophobicContact CB-CD2 3.97Å; D101-L230 WeakPolarHBondContact OD1-CD2 3.34Å; C104-L230 HydrophobicContact CB-CD1 4.23Å; C104-L230 HydrophobicContact CB-CD2 4.1Å; L230-F232 HydrophobicContact CD1-CE2 4.08Å; L230-F232 HydrophobicContact CD1-CZ 4.29Å; L230-F232 HydrophobicContact CD2-CE2 4.06Å; L230-F232 HydrophobicContact CD2-CZ 4.46Å; L230-F232 HydrophobicContact CG-CE2 4.06Å; L230-A251 HydrophobicContact CD1-CB 3.9Å; L230-D252 WeakPolarHBondContact CA-O 3.21Å; L230-M253 HydrophobicContact CB-CG 4.12Å; L230-M253 HydrophobicContact CD1-CG 3.47Å; L230-M253 VanDerWaalsContact CD1-CG 3.47Å; L230-M253 HydrophobicContact CD1-SD 4.21Å; L230-M253 HydrophobicContact CG-CG 4.35Å
231N97.3Very high94.8Very high7 Ų735.2 Ų35.24%0.03721%0.205CC..EExtended strand (participates in β ladder)trans-141.6167.7166.8-159.37000111.5F98 D252 Q285 Y288 F294F98-N231 WeakPolarHBondContact CZ-OD1 3.49Å; N231-D252 PolarHBondContact N-O 3.46Å; N231-D252 PolarHBondContact O-N 2.94Å; N231-Q285 PolarHBondContact ND2-NE2 2.99Å; N231-Y288 HydrophobicContact CB-CD1 4.09Å; N231-Y288 HydrophobicContact CB-CE1 3.83Å; N231-Y288 HydrophobicContact CB-CE2 4.48Å; N231-Y288 WeakPolarHBondContact ND2-CD1 3.34Å; N231-Y288 WeakPolarHBondContact ND2-CE1 3.38Å; N231-F294 HydrophobicContact CB-CE2 4.19Å; N231-F294 HydrophobicContact CB-CZ 3.93Å
232F96.3Very high94.7Very high0 Ų034.4 Ų34.40%020%0.202CC..EExtended strand (participates in β ladder)trans-117.1133.9178.4-71.2-93.5000111F98 I100 C104 L230 N235 K236 P238 E250 A251F98-F232 HydrophobicContact CB-CE2 4.13Å; F98-F232 HydrophobicContact CD1-CD2 4.21Å; F98-F232 AromaticContact CD2-CD2 3.58Å; F98-F232 HydrophobicContact CD2-CD2 3.58Å; F98-F232 AromaticContact CD2-CE2 3.56Å; F98-F232 HydrophobicContact CD2-CE2 3.56Å; F98-F232 HydrophobicContact CE1-CD2 4.27Å; F98-F232 AromaticContact CE2-CD2 3.69Å; F98-F232 HydrophobicContact CE2-CD2 3.69Å; F98-F232 HydrophobicContact CE2-CE2 4.11Å; F98-F232 AromaticContact CG-CD2 3.86Å; F98-F232 HydrophobicContact CG-CD2 3.86Å; F98-F232 AromaticContact CG-CE2 3.83Å; F98-F232 HydrophobicContact CG-CE2 3.83Å; F98-F232 HydrophobicContact CZ-CD2 4.03Å; I100-F232 HydrophobicContact CD1-CE1 3.9Å; I100-F232 HydrophobicContact CD1-CZ 3.75Å; I100-F232 HydrophobicContact CG1-CE1 4.43Å; I100-F232 HydrophobicContact CG1-CZ 3.79Å; C104-F232 VanDerWaalsContact SG-CZ 3.56Å; L230-F232 HydrophobicContact CD1-CE2 4.08Å; L230-F232 HydrophobicContact CD1-CZ 4.29Å; L230-F232 HydrophobicContact CD2-CE2 4.06Å; L230-F232 HydrophobicContact CD2-CZ 4.46Å; L230-F232 HydrophobicContact CG-CE2 4.06Å; F232-N235 PolarHBondContact O-N 3.3Å; F232-K236 HydrophobicContact CB-CB 4.49Å; F232-P238 HydrophobicContact CD1-CB 4.44Å; F232-P238 HydrophobicContact CD1-CG 4.02Å; F232-P238 HydrophobicContact CD2-CG 3.71Å; F232-P238 HydrophobicContact CE1-CB 4.17Å; F232-P238 HydrophobicContact CE1-CG 3.79Å; F232-P238 HydrophobicContact CE2-CG 3.51Å; F232-P238 HydrophobicContact CG-CG 3.97Å; F232-P238 HydrophobicContact CZ-CB 4.31Å; F232-P238 HydrophobicContact CZ-CG 3.55Å; F232-E250 WeakPolarHBondContact CA-O 3.25Å; F232-A251 HydrophobicContact CD1-CB 4Å; F232-A251 HydrophobicContact CE1-CB 3.53Å; F232-A251 HydrophobicContact CZ-CB 3.93Å
233R94.4Very high94.6Very high64 Ų6434.1 Ų34.124%0.24220%0.2CC..G310 helixtrans-60.2141.7179.3-63-176.4-176.2-172.1-7.9111.8N235 E250 D252R233-N235 VanDerWaalsContact C-N 3.29Å; R233-N235 PolarHBondContact O-N 3.47Å; R233-E250 HydrophobicContact CB-CB 4.1Å; R233-E250 HydrophobicContact CG-CB 4.07Å; R233-E250 PolarHBondContact N-O 3.32Å; R233-D252 IonicContact CZ-OD1 3.6Å; R233-D252 IonicContact CZ-OD2 3.38Å; R233-D252 IonicContact NE-OD1 3.23Å; R233-D252 PolarHBondContact NE-OD1 2.95Å; R233-D252 IonicContact NE-OD2 2.79Å; R233-D252 PolarHBondContact NE-OD2 3.32Å; R233-D252 IonicContact NH2-OD1 3.23Å; R233-D252 PolarHBondContact NH2-OD1 2.93Å; R233-D252 IonicContact NH2-OD2 3.06Å; R233-D252 PolarHBondContact NH2-OD2 3.22Å
234G88.9Confident94.4Very high71 Ų7133.3 Ų33.373%0.73219%0.191SC*.G310 helixtrans67.926.6-179.100000113.8K236G234-K236 PolarHBondContact O-N 3.32Å
235N85.5Confident94.2Very high124 Ų12438.6 Ų38.666%0.66321%0.212SC*.G310 helixtrans5135.7177.6-63.6-22.2000113.1F232 R233F232-N235 PolarHBondContact O-N 3.3Å; R233-N235 VanDerWaalsContact C-N 3.29Å; R233-N235 PolarHBondContact O-N 3.47Å
236K90.6Very high94Very high77 Ų7739.4 Ų39.434%0.33522%0.22SC..  trans-71.9142.4178.6-69.8175.9-177.5167.20109.3F232 G234 P238 Y249F232-K236 HydrophobicContact CB-CB 4.49Å; G234-K236 PolarHBondContact O-N 3.32Å; K236-P238 VanDerWaalsContact O-CD 3.23Å; K236-P238 WeakPolarHBondContact O-CD 3.48Å; K236-Y249 HydrophobicContact CB-CD1 4.2Å; K236-Y249 HydrophobicContact CB-CE1 4.35Å; K236-Y249 HydrophobicContact CD-CD1 4.16Å
237N91.2Very high93.8Very high120 Ų12044.5 Ų44.564%0.64224%0.242SC*.  trans-100.8101169.1-161.1-7.7000109.3
238P93.4Very high93.7Very high1 Ų148.9 Ų48.91%0.00626%0.262CS..  trans-79.3147.3-178.133.6-38000113F98 I100 F232 K236 Y249F98-P238 HydrophobicContact CB-CG 3.86Å; F98-P238 HydrophobicContact CD1-CG 4.29Å; F98-P238 HydrophobicContact CG-CG 4.18Å; I100-P238 HydrophobicContact CD1-CB 3.45Å; I100-P238 VanDerWaalsContact CD1-CB 3.45Å; I100-P238 HydrophobicContact CD1-CG 3.84Å; I100-P238 HydrophobicContact CG1-CB 3.67Å; I100-P238 HydrophobicContact CG1-CG 3.59Å; F232-P238 HydrophobicContact CD1-CB 4.44Å; F232-P238 HydrophobicContact CD1-CG 4.02Å; F232-P238 HydrophobicContact CD2-CG 3.71Å; F232-P238 HydrophobicContact CE1-CB 4.17Å; F232-P238 HydrophobicContact CE1-CG 3.79Å; F232-P238 HydrophobicContact CE2-CG 3.51Å; F232-P238 HydrophobicContact CG-CG 3.97Å; F232-P238 HydrophobicContact CZ-CB 4.31Å; F232-P238 HydrophobicContact CZ-CG 3.55Å; K236-P238 VanDerWaalsContact O-CD 3.23Å; K236-P238 WeakPolarHBondContact O-CD 3.48Å; P238-Y249 VanDerWaalsContact CA-CE1 3.49Å; P238-Y249 HydrophobicContact CB-CD1 3.7Å; P238-Y249 HydrophobicContact CB-CD2 4.05Å; P238-Y249 HydrophobicContact CB-CE1 3.62Å; P238-Y249 HydrophobicContact CB-CE2 4Å; P238-Y249 HydrophobicContact CB-CG 3.9Å
239S92.4Very high93.6Very high34 Ų3448.3 Ų48.324%0.23826%0.258CS..  trans-134.6155.117763.90000111.2E99 L241 G242 I243E99-S239 VanDerWaalsContact OE2-CB 3.29Å; E99-S239 WeakPolarHBondContact OE2-CB 3.49Å; S239-L241 PolarHBondContact O-N 2.89Å; S239-G242 PolarHBondContact O-N 3.44Å; S239-G242 VanDerWaalsContact O-N 3.14Å; S239-G242 PolarHBondContact OG-N 3.39Å; S239-I243 PolarHBondContact O-N 3.33Å; S239-I243 VanDerWaalsContact O-N 3.14Å
240L90.6Very high93.6Very high63 Ų6351.2 Ų51.233%0.3327%0.272SS..Hα-helixtrans-61.3-38175-70171.1000111E99 I100 F102 L103 G242 I243 L244E99-L240 VanDerWaalsContact OE1-CB 3.29Å; E99-L240 WeakPolarHBondContact OE1-CB 3.11Å; E99-L240 WeakPolarHBondContact OE1-CG 3.27Å; E99-L240 PolarHBondContact OE1-N 3.24Å; I100-L240 HydrophobicContact CG2-CD2 3.9Å; I100-L240 HydrophobicContact CG2-CG 4.02Å; F102-L240 HydrophobicContact CZ-CD1 4.49Å; F102-L240 HydrophobicContact CZ-CD2 4.3Å; L103-L240 HydrophobicContact CD2-CD2 3.97Å; L240-G242 VanDerWaalsContact C-N 3.33Å; L240-G242 PolarHBondContact O-N 2.62Å; L240-I243 HydrophobicContact CD2-CD1 4.47Å; L240-I243 WeakPolarHBondContact O-CB 3.32Å; L240-I243 PolarHBondContact O-N 3.01Å; L240-L244 PolarHBondContact O-N 3.46Å
241L90.8Very high93.5Very high73 Ų7351.2 Ų51.238%0.38227%0.272SS..Hα-helixtrans-60.9-43.2175.1-16863.7000111.1S239 I243 L244 Y245S239-L241 PolarHBondContact O-N 2.89Å; L241-I243 VanDerWaalsContact C-N 3.34Å; L241-I243 PolarHBondContact O-N 3.14Å; L241-L244 HydrophobicContact CD1-CD2 4.49Å; L241-L244 WeakPolarHBondContact O-CB 3.48Å; L241-L244 PolarHBondContact O-N 3.41Å; L241-L244 VanDerWaalsContact O-N 3.17Å; L241-Y245 HydrophobicContact CD1-CD2 3.98Å; L241-Y245 HydrophobicContact CD1-CE2 3.6Å; L241-Y245 HydrophobicContact CD2-CE2 4.4Å; L241-Y245 HydrophobicContact CG-CD2 3.9Å; L241-Y245 HydrophobicContact CG-CE2 3.82Å; L241-Y245 VanDerWaalsContact O-CD2 3.29Å; L241-Y245 WeakPolarHBondContact O-CD2 3.07Å; L241-Y245 PolarHBondContact O-N 3.28Å
242G93.6Very high93.6Very high10 Ų1050.9 Ų50.910%0.10327%0.27CS..Hα-helixtrans-57.2-46.5175.200000112.3S239 L240 L244 Y245 G246 K247S239-G242 PolarHBondContact O-N 3.44Å; S239-G242 VanDerWaalsContact O-N 3.14Å; S239-G242 PolarHBondContact OG-N 3.39Å; L240-G242 VanDerWaalsContact C-N 3.33Å; L240-G242 PolarHBondContact O-N 2.62Å; G242-L244 VanDerWaalsContact C-N 3.33Å; G242-L244 PolarHBondContact O-N 2.83Å; G242-Y245 CarbonylContact O-C 3.59Å; G242-Y245 PolarHBondContact O-N 3.09Å; G242-G246 PolarHBondContact O-N 3.12Å; G242-K247 WeakPolarHBondContact O-CA 3.4Å; G242-K247 WeakPolarHBondContact O-CB 3.4Å; G242-K247 PolarHBondContact O-N 3.07Å
243I95.4Very high93.6Very high0 Ų051.1 Ų51.10%027%0.271CS..Hα-helixtrans-59.4-45.4175.6-63.8169.4000110.7L64 L65 S69 I100 L103 S239 L240 L241 Y245 G246 Y249L64-I243 HydrophobicContact CD2-CG2 4.25Å; L64-I243 HydrophobicContact CG-CG2 3.83Å; L64-I243 VanDerWaalsContact O-CG2 3.29Å; L64-I243 WeakPolarHBondContact O-CG2 3.47Å; L65-I243 HydrophobicContact CD1-CD1 3.38Å; L65-I243 HydrophobicContact CD1-CG1 4.04Å; S69-I243 WeakPolarHBondContact CB-O 3.3Å; I100-I243 HydrophobicContact CB-CD1 4.27Å; I100-I243 HydrophobicContact CD1-CD1 3.82Å; I100-I243 HydrophobicContact CG2-CD1 3.77Å; L103-I243 HydrophobicContact CD2-CD1 3.93Å; S239-I243 PolarHBondContact O-N 3.33Å; S239-I243 VanDerWaalsContact O-N 3.14Å; L240-I243 HydrophobicContact CD2-CD1 4.47Å; L240-I243 WeakPolarHBondContact O-CB 3.32Å; L240-I243 PolarHBondContact O-N 3.01Å; L241-I243 VanDerWaalsContact C-N 3.34Å; L241-I243 PolarHBondContact O-N 3.14Å; I243-Y245 VanDerWaalsContact C-N 3.31Å; I243-Y245 PolarHBondContact O-N 2.96Å; I243-G246 WeakPolarHBondContact O-CA 3.42Å; I243-G246 PolarHBondContact O-N 2.85Å; I243-Y249 HydrophobicContact CG1-CD2 4.35Å; I243-Y249 HydrophobicContact CG1-CE2 4.25Å
244L93Very high93.8Very high39 Ų3948.4 Ų48.420%0.20426%0.261CS..Hα-helixtrans-60.4-39.8-180-174.161.7000111.9H14 L64 W68 L240 L241 G242 G246H14-L244 HydrophobicContact CB-CD1 4.21Å; H14-L244 HydrophobicContact CB-CD2 4.04Å; H14-L244 HydrophobicContact CB-CG 4.2Å; H14-L244 PolarHBondContact NE2-O 2.65Å; H14-L244 VanDerWaalsContact NE2-O 3.1Å; L64-L244 HydrophobicContact CD1-CD1 4.15Å; L64-L244 HydrophobicContact CD2-CD1 4.49Å; W68-L244 PolarHBondContact NE1-O 2.9Å; L240-L244 PolarHBondContact O-N 3.46Å; L241-L244 HydrophobicContact CD1-CD2 4.49Å; L241-L244 WeakPolarHBondContact O-CB 3.48Å; L241-L244 PolarHBondContact O-N 3.41Å; L241-L244 VanDerWaalsContact O-N 3.17Å; G242-L244 VanDerWaalsContact C-N 3.33Å; G242-L244 PolarHBondContact O-N 2.83Å; L244-G246 PolarHBondContact O-N 3.06Å
245Y93.8Very high94.3Very high110 Ų11045.4 Ų45.443%0.43123%0.229SC..THydrogen-bonded Turntrans-766.9171.9-79.6-81.5000114.3K8 H14 L241 G242 I243K8-Y245 WeakPolarHBondContact O-CA 3.18Å; H14-Y245 AromaticContact CE1-CD1 3.64Å; H14-Y245 AromaticContact CE1-CE1 3.58Å; H14-Y245 AromaticContact CE1-CG 3.99Å; H14-Y245 AromaticContact CE1-CZ 3.88Å; L241-Y245 HydrophobicContact CD1-CD2 3.98Å; L241-Y245 HydrophobicContact CD1-CE2 3.6Å; L241-Y245 HydrophobicContact CD2-CE2 4.4Å; L241-Y245 HydrophobicContact CG-CD2 3.9Å; L241-Y245 HydrophobicContact CG-CE2 3.82Å; L241-Y245 VanDerWaalsContact O-CD2 3.29Å; L241-Y245 WeakPolarHBondContact O-CD2 3.07Å; L241-Y245 PolarHBondContact O-N 3.28Å; G242-Y245 CarbonylContact O-C 3.59Å; G242-Y245 PolarHBondContact O-N 3.09Å; I243-Y245 VanDerWaalsContact C-N 3.31Å; I243-Y245 PolarHBondContact O-N 2.96Å
246G94.4Very high94.9Very high18 Ų1842.3 Ų42.319%0.18621%0.208CC..THydrogen-bonded Turntrans81.513.5176.600000115.3G242 I243 L244 K248G242-G246 PolarHBondContact O-N 3.12Å; I243-G246 WeakPolarHBondContact O-CA 3.42Å; I243-G246 PolarHBondContact O-N 2.85Å; L244-G246 PolarHBondContact O-N 3.06Å; G246-K248 PolarHBondContact O-N 3.29Å
247K95.3Very high95.2Very high109 Ų10942 Ų4247%0.47421%0.205SC..  trans-69.2117.3178.2-173167.3168.8-176.80109.9S69 G242 Y249S69-K247 WeakPolarHBondContact CB-O 3.49Å; G242-K247 WeakPolarHBondContact O-CA 3.4Å; G242-K247 WeakPolarHBondContact O-CB 3.4Å; G242-K247 PolarHBondContact O-N 3.07Å; K247-Y249 HydrophobicContact CB-CE2 4.02Å; K247-Y249 HydrophobicContact CD-CE1 4.17Å; K247-Y249 HydrophobicContact CD-CE2 4.28Å; K247-Y249 WeakPolarHBondContact CD-OH 3.23Å; K247-Y249 HydrophobicContact CG-CE1 4.29Å; K247-Y249 HydrophobicContact CG-CE2 3.91Å; K247-Y249 VanDerWaalsContact O-CD2 3.27Å; K247-Y249 WeakPolarHBondContact O-CD2 3.45Å; K247-Y249 WeakPolarHBondContact O-CE2 3.32Å
248K96.1Very high95.6Very high93 Ų9338.4 Ų38.440%0.40418%0.183SC..  trans-74.7134.7174.6178.1172.2179.9-179.70110.8S69 G70 E72 G246S69-K248 WeakPolarHBondContact O-CA 3.42Å; S69-K248 WeakPolarHBondContact O-CB 3.38Å; G70-K248 WeakPolarHBondContact O-CD 3.17Å; G70-K248 VanDerWaalsContact O-CE 3.27Å; G70-K248 WeakPolarHBondContact O-CE 3.42Å; G70-K248 WeakPolarHBondContact O-CG 3.39Å; E72-K248 WeakPolarHBondContact OE1-CE 3.28Å; E72-K248 IonicContact OE1-NZ 2.7Å; E72-K248 PolarHBondContact OE1-NZ 2.87Å; G246-K248 PolarHBondContact O-N 3.29Å
249Y96.9Very high95.8Very high2 Ų239.7 Ų39.71%0.00819%0.192CC..  trans-119.7164.9169-60.8-84.8000110.8T71 E72 K236 P238 I243 K247T71-Y249 WeakPolarHBondContact CA-O 3.49Å; T71-Y249 WeakPolarHBondContact CG2-O 3.4Å; T71-Y249 PolarHBondContact OG1-N 2.91Å; E72-Y249 PolarHBondContact N-O 2.94Å; K236-Y249 HydrophobicContact CB-CD1 4.2Å; K236-Y249 HydrophobicContact CB-CE1 4.35Å; K236-Y249 HydrophobicContact CD-CD1 4.16Å; P238-Y249 VanDerWaalsContact CA-CE1 3.49Å; P238-Y249 HydrophobicContact CB-CD1 3.7Å; P238-Y249 HydrophobicContact CB-CD2 4.05Å; P238-Y249 HydrophobicContact CB-CE1 3.62Å; P238-Y249 HydrophobicContact CB-CE2 4Å; P238-Y249 HydrophobicContact CB-CG 3.9Å; I243-Y249 HydrophobicContact CG1-CD2 4.35Å; I243-Y249 HydrophobicContact CG1-CE2 4.25Å; K247-Y249 HydrophobicContact CB-CE2 4.02Å; K247-Y249 HydrophobicContact CD-CE1 4.17Å; K247-Y249 HydrophobicContact CD-CE2 4.28Å; K247-Y249 WeakPolarHBondContact CD-OH 3.23Å; K247-Y249 HydrophobicContact CG-CE1 4.29Å; K247-Y249 HydrophobicContact CG-CE2 3.91Å; K247-Y249 VanDerWaalsContact O-CD2 3.27Å; K247-Y249 WeakPolarHBondContact O-CD2 3.45Å; K247-Y249 WeakPolarHBondContact O-CE2 3.32Å
250E97.3Very high96Very high61 Ų6138.5 Ų38.529%0.28518%0.183SC..EExtended strand (participates in β ladder)trans-128.1101176.5-66.2164.6115.600106.7F232 R233F232-E250 WeakPolarHBondContact CA-O 3.25Å; R233-E250 HydrophobicContact CB-CB 4.1Å; R233-E250 HydrophobicContact CG-CB 4.07Å; R233-E250 PolarHBondContact N-O 3.32Å
251A97.3Very high96.2Very high0 Ų043 Ų430%020%0.202CC..EExtended strand (participates in β ladder)trans-92.9126.9179.700000109.3E72 C73 T74 C104 L230 F232E72-A251 PolarHBondContact O-N 2.6Å; C73-A251 CarbonylContact C-O 3.59Å; C73-A251 VanDerWaalsContact CA-O 3.28Å; C73-A251 WeakPolarHBondContact CA-O 3.36Å; T74-A251 PolarHBondContact N-O 2.67Å; C104-A251 HydrophobicContact CB-CB 4.47Å; L230-A251 HydrophobicContact CD1-CB 3.9Å; F232-A251 HydrophobicContact CD1-CB 4Å; F232-A251 HydrophobicContact CE1-CB 3.53Å; F232-A251 HydrophobicContact CZ-CB 3.93Å
252D97.9Very high96.5Very high0 Ų044.4 Ų44.40%021%0.21CC..EExtended strand (participates in β ladder)trans-110.1130.5172.7-74.3-6.7000108T74 F76 L230 N231 R233 Y288 F294T74-D252 WeakPolarHBondContact CB-OD1 3.3Å; T74-D252 CarbonylContact O-C 3.54Å; T74-D252 WeakPolarHBondContact O-CA 3.17Å; T74-D252 PolarHBondContact OG1-OD1 3.31Å; T74-D252 VanDerWaalsContact OG1-OD1 3.11Å; F76-D252 HydrophobicContact CD2-CB 4.25Å; F76-D252 HydrophobicContact CE2-CB 3.61Å; L230-D252 WeakPolarHBondContact CA-O 3.21Å; N231-D252 PolarHBondContact N-O 3.46Å; N231-D252 PolarHBondContact O-N 2.94Å; R233-D252 IonicContact CZ-OD1 3.6Å; R233-D252 IonicContact CZ-OD2 3.38Å; R233-D252 IonicContact NE-OD1 3.23Å; R233-D252 PolarHBondContact NE-OD1 2.95Å; R233-D252 IonicContact NE-OD2 2.79Å; R233-D252 PolarHBondContact NE-OD2 3.32Å; R233-D252 IonicContact NH2-OD1 3.23Å; R233-D252 PolarHBondContact NH2-OD1 2.93Å; R233-D252 IonicContact NH2-OD2 3.06Å; R233-D252 PolarHBondContact NH2-OD2 3.22Å; D252-Y288 HydrophobicContact CB-CE2 3.87Å; D252-Y288 PolarHBondContact OD2-OH 3.41Å; D252-F294 HydrophobicContact CB-CD2 4.01Å; D252-F294 HydrophobicContact CB-CE2 4.13Å; D252-F294 WeakPolarHBondContact O-CE2 3.49Å
253M98Very high96.7Very high4 Ų444 Ų442%0.0221%0.206CC..EExtended strand (participates in β ladder)trans-125.7112.9-178.5-74.4179.1-70.200110.1C73 T74 L75 F76 C104 M108 V228 T229 L230C73-M253 HydrophobicContact CB-CE 3.83Å; T74-M253 PolarHBondContact O-N 3Å; L75-M253 CarbonylContact C-O 3.6Å; L75-M253 WeakPolarHBondContact CA-O 3.44Å; F76-M253 PolarHBondContact N-O 2.89Å; C104-M253 HydrophobicContact CB-SD 4.32Å; M108-M253 HydrophobicContact CE-CE 3.32Å; M108-M253 HydrophobicContact CG-CE 3.34Å; M108-M253 HydrophobicContact CG-SD 4.16Å; M108-M253 HydrophobicContact SD-CE 3.99Å; V228-M253 HydrophobicContact CG1-CB 4.35Å; V228-M253 HydrophobicContact CG1-CG 4.46Å; T229-M253 CarbonylContact O-C 3.53Å; T229-M253 WeakPolarHBondContact O-CA 3.46Å; L230-M253 HydrophobicContact CB-CG 4.12Å; L230-M253 HydrophobicContact CD1-CG 3.47Å; L230-M253 VanDerWaalsContact CD1-CG 3.47Å; L230-M253 HydrophobicContact CD1-SD 4.21Å; L230-M253 HydrophobicContact CG-CG 4.35Å
254C98.3Very high96.7Very high7 Ų745.6 Ų45.65%0.04722%0.216CC..EExtended strand (participates in β ladder)trans-85.7128.4168.9-174.60000109.9F76 V228 T229 L284 F294F76-C254 HydrophobicContact CB-CB 4.3Å; F76-C254 CarbonylContact O-C 3.52Å; F76-C254 WeakPolarHBondContact O-CA 3.28Å; V228-C254 CarbonylContact C-O 3.51Å; V228-C254 VanDerWaalsContact CA-O 3.3Å; V228-C254 WeakPolarHBondContact CA-O 3.49Å; T229-C254 PolarHBondContact N-O 3.24Å; T229-C254 PolarHBondContact O-N 3.03Å; C254-L284 HydrophobicContact CB-CD2 4.01Å; C254-F294 HydrophobicContact CB-CB 3.92Å; C254-F294 HydrophobicContact CB-CD1 3.9Å; C254-F294 HydrophobicContact CB-CD2 3.83Å; C254-F294 HydrophobicContact CB-CE1 4.4Å; C254-F294 HydrophobicContact CB-CE2 4.33Å; C254-F294 HydrophobicContact CB-CG 3.61Å
255V98.3Very high96.7Very high9 Ų951.2 Ų51.26%0.05524%0.241CC..EExtended strand (participates in β ladder)trans-123.4123.9179.5-174.40000110.4L75 F76 S77 F85 Y226 D227 V228L75-V255 HydrophobicContact CD1-CB 4.18Å; L75-V255 HydrophobicContact CD1-CG2 3.39Å; F76-V255 PolarHBondContact O-N 3.41Å; S77-V255 WeakPolarHBondContact CB-O 3.25Å; S77-V255 PolarHBondContact OG-O 2.87Å; F85-V255 HydrophobicContact CE1-CG1 4.21Å; F85-V255 HydrophobicContact CZ-CB 4.08Å; F85-V255 HydrophobicContact CZ-CG1 3.67Å; F85-V255 HydrophobicContact CZ-CG2 4.48Å; Y226-V255 HydrophobicContact CG-CG1 4.41Å; D227-V255 CarbonylContact O-C 3.47Å; D227-V255 VanDerWaalsContact O-CA 3.32Å; D227-V255 WeakPolarHBondContact O-CA 3.39Å; V228-V255 HydrophobicContact CB-CG2 4.48Å; V228-V255 HydrophobicContact CG1-CG2 4.06Å; V228-V255 HydrophobicContact CG2-CG1 4.23Å; V228-V255 HydrophobicContact CG2-CG2 3.98Å
256R98.1Very high96.8Very high59 Ų5949.9 Ų49.922%0.22324%0.241CC..EExtended strand (participates in β ladder)trans-114.8131.3173.8-51.5-179.8-69.8164.8-1.3108.9D227 F258 E280D227-R256 HydrophobicContact CB-CB 4.23Å; D227-R256 PolarHBondContact N-O 3.1Å; D227-R256 PolarHBondContact O-N 3.04Å; D227-R256 IonicContact OD2-CZ 3.47Å; D227-R256 IonicContact OD2-NE 3.77Å; D227-R256 PolarHBondContact OD2-NE 2.86Å; D227-R256 IonicContact OD2-NH2 2.68Å; D227-R256 PolarHBondContact OD2-NH2 3.4Å; R256-F258 HydrophobicContact CB-CE2 3.82Å; R256-F258 HydrophobicContact CB-CZ 4.28Å; R256-E280 IonicContact CZ-OE2 3.78Å; R256-E280 IonicContact NH1-OE2 3.66Å; R256-E280 PolarHBondContact NH1-OE2 2.79Å; R256-E280 IonicContact NH2-OE2 2.64Å
257R98.1Very high96.8Very high70 Ų7052.9 Ų52.926%0.26425%0.251SS..EExtended strand (participates in β ladder)trans-100.1129.1179.6177.1175-173.9-72.9-1.7110.5T81 E88 A224 Y226T81-R257 HydrophobicContact CG2-CB 3.67Å; T81-R257 WeakPolarHBondContact OG1-CB 3.43Å; E88-R257 IonicContact OE1-CZ 3.79Å; E88-R257 IonicContact OE1-NE 3.43Å; E88-R257 PolarHBondContact OE1-NE 3.06Å; E88-R257 IonicContact OE1-NH2 2.94Å; E88-R257 PolarHBondContact OE1-NH2 3.48Å; E88-R257 IonicContact OE2-CZ 2.72Å; E88-R257 IonicContact OE2-NE 2.68Å; E88-R257 IonicContact OE2-NH2 3.53Å; E88-R257 PolarHBondContact OE2-NH2 3.05Å; A224-R257 HydrophobicContact CB-CG 3.98Å; Y226-R257 HydrophobicContact CD1-CB 4.1Å; Y226-R257 HydrophobicContact CD1-CG 3.94Å; Y226-R257 HydrophobicContact CE1-CB 4.11Å; Y226-R257 HydrophobicContact CE1-CG 3.63Å
258F98.4Very high96.9Very high44 Ų4455 Ų5519%0.19326%0.26CS..EExtended strand (participates in β ladder)trans-118.7113.4173-61.7-88.4000108.8A224 V225 D227 R256 I263 W273 L277A224-F258 CarbonylContact C-O 3.52Å; A224-F258 VanDerWaalsContact CA-O 3.27Å; A224-F258 WeakPolarHBondContact CA-O 3.46Å; A224-F258 WeakPolarHBondContact CB-O 3.39Å; V225-F258 HydrophobicContact CB-CB 4.49Å; V225-F258 PolarHBondContact N-O 3.03Å; V225-F258 PolarHBondContact O-N 3.08Å; D227-F258 HydrophobicContact CB-CD2 4.13Å; D227-F258 HydrophobicContact CB-CE2 3.69Å; R256-F258 HydrophobicContact CB-CE2 3.82Å; R256-F258 HydrophobicContact CB-CZ 4.28Å; F258-I263 HydrophobicContact CB-CD1 4.02Å; F258-W273 HydrophobicContact CB-CZ2 4.16Å; F258-W273 AromaticContact CD1-CZ2 3.99Å; F258-W273 HydrophobicContact CD1-CZ2 3.99Å; F258-W273 HydrophobicContact CD2-CH2 4.33Å; F258-W273 HydrophobicContact CD2-CZ2 4.06Å; F258-W273 HydrophobicContact CE1-CZ2 4.39Å; F258-W273 HydrophobicContact CE2-CZ2 4.46Å; F258-W273 HydrophobicContact CG-CH2 4.42Å; F258-W273 AromaticContact CG-CZ2 3.8Å; F258-W273 HydrophobicContact CG-CZ2 3.8Å; F258-L277 HydrophobicContact CD2-CD1 4.44Å; F258-L277 HydrophobicContact CE2-CD1 3.65Å; F258-L277 HydrophobicContact CZ-CD1 3.84Å
259P98.1Very high97Very high28 Ų2856 Ų5618%0.18227%0.266CS..EExtended strand (participates in β ladder)trans-48.5140.2169.9-26.834.4000111.8E261 D262P259-E261 HydrophobicContact CB-CG 3.79Å; P259-E261 PolarHBondContact O-N 2.67Å; P259-D262 WeakPolarHBondContact CD-OD2 3.03Å; P259-D262 WeakPolarHBondContact CG-OD2 3.37Å; P259-D262 WeakPolarHBondContact O-CB 3.4Å; P259-D262 PolarHBondContact O-N 2.93Å
260L96.8Very high97Very high9 Ų956 Ų565%0.04727%0.267CS..G310 helixtrans-66.6-25.7-177.2-165.976000112.5V215 R219 V222 S223 V225 D262 I263V215-L260 HydrophobicContact CG1-CD1 4.22Å; V215-L260 HydrophobicContact CG2-CD1 4.48Å; R219-L260 HydrophobicContact CB-CD2 4.15Å; R219-L260 HydrophobicContact CG-CD2 3.95Å; R219-L260 PolarHBondContact NH1-O 2.95Å; R219-L260 VanDerWaalsContact NH1-O 3.11Å; V222-L260 HydrophobicContact CG2-CD1 3.91Å; V222-L260 HydrophobicContact CG2-CD2 3.66Å; V222-L260 HydrophobicContact CG2-CG 4.31Å; V222-L260 WeakPolarHBondContact O-CD2 3.45Å; S223-L260 PolarHBondContact O-N 3.13Å; V225-L260 HydrophobicContact CG2-CD1 4.1Å; L260-D262 PolarHBondContact O-N 2.81Å; L260-I263 HydrophobicContact CD1-CG1 4.33Å; L260-I263 PolarHBondContact O-N 2.8Å
261E95.3Very high97Very high157 Ų15753.8 Ų53.873%0.73426%0.258SS*.G310 helixtrans-61.2-29.117257.6-131-157.400113.5P259 I263P259-E261 HydrophobicContact CB-CG 3.79Å; P259-E261 PolarHBondContact O-N 2.67Å; E261-I263 VanDerWaalsContact C-N 3.29Å; E261-I263 PolarHBondContact O-N 3.19Å
262D96.1Very high97.1Very high103 Ų10358 Ų5855%0.55128%0.281SS*.G310 helixtrans-81.7-10.5177.8-61.6-26.7000112.7P259 L260P259-D262 WeakPolarHBondContact CD-OD2 3.03Å; P259-D262 WeakPolarHBondContact CG-OD2 3.37Å; P259-D262 WeakPolarHBondContact O-CB 3.4Å; P259-D262 PolarHBondContact O-N 2.93Å; L260-D262 PolarHBondContact O-N 2.81Å
263I97.4Very high97.1Very high2 Ų260.2 Ų60.21%0.0129%0.289CS..SBendtrans-87.6124.2177.1-49.5-58.3000109F211 V215 R219 V225 F258 L260 E261 W273F211-I263 HydrophobicContact CE1-CG2 4.46Å; F211-I263 HydrophobicContact CZ-CG2 4Å; V215-I263 HydrophobicContact CG1-CG2 3.97Å; V215-I263 HydrophobicContact CG2-CG2 4.25Å; R219-I263 PolarHBondContact NH2-O 2.92Å; V225-I263 HydrophobicContact CG2-CD1 4.26Å; V225-I263 HydrophobicContact CG2-CG1 3.94Å; F258-I263 HydrophobicContact CB-CD1 4.02Å; L260-I263 HydrophobicContact CD1-CG1 4.33Å; L260-I263 PolarHBondContact O-N 2.8Å; E261-I263 VanDerWaalsContact C-N 3.29Å; E261-I263 PolarHBondContact O-N 3.19Å; I263-W273 HydrophobicContact CD1-CD2 3.93Å; I263-W273 HydrophobicContact CD1-CE3 4.2Å; I263-W273 HydrophobicContact CD1-CH2 3.56Å; I263-W273 HydrophobicContact CD1-CZ2 3.21Å; I263-W273 HydrophobicContact CD1-CZ3 4.04Å
264P96.8Very high97.1Very high33 Ų3360 Ų6021%0.21429%0.288CS..  trans-54.1146.1-178.3-26.633.9000113.5R219 E269 A270 W273R219-P264 PolarHBondContact NH2-O 3.32Å; P264-E269 HydrophobicContact CB-CB 3.45Å; P264-E269 VanDerWaalsContact CB-CB 3.45Å; P264-E269 HydrophobicContact CG-CB 3.95Å; P264-A270 HydrophobicContact CB-CB 4.44Å; P264-W273 HydrophobicContact CG-CB 4.35Å
265Q92.3Very high97.1Very high157 Ų15761.1 Ų61.173%0.73429%0.293SS*.SBendtrans-82.7-35.5176-66.1-168.99.500112.3
266D96.1Very high97.1Very high82 Ų8266.7 Ų66.744%0.43932%0.316SS..SBendtrans-65.1137.3175.8175.5-97.4000110.6K268 E269 A270D266-K268 VanDerWaalsContact C-N 3.32Å; D266-K268 PolarHBondContact O-N 2.93Å; D266-K268 WeakPolarHBondContact OD1-CA 2.93Å; D266-K268 VanDerWaalsContact OD1-CB 3.23Å; D266-K268 WeakPolarHBondContact OD1-CB 3.18Å; D266-K268 PolarHBondContact OD1-N 3.41Å; D266-E269 HydrophobicContact CB-CB 4.14Å; D266-E269 HydrophobicContact CB-CG 4.08Å; D266-E269 PolarHBondContact O-N 3.17Å; D266-E269 PolarHBondContact OD1-N 3.37Å; D266-A270 WeakPolarHBondContact O-CB 3.39Å; D266-A270 PolarHBondContact O-N 2.98Å
267E95.3Very high97.1Very high81 Ų8164.1 Ų64.138%0.37931%0.307SS..Hα-helixtrans-63.5-39.2-174.5-165.2-165.5153.200111.9K209 T212 A271K209-E267 VanDerWaalsContact CD-OE1 3.32Å; K209-E267 WeakPolarHBondContact CD-OE1 3.13Å; K209-E267 WeakPolarHBondContact CE-OE1 3.4Å; K209-E267 IonicContact NZ-OE1 3.63Å; K209-E267 PolarHBondContact NZ-OE1 3.37Å; K209-E267 IonicContact NZ-OE2 2.77Å; T212-E267 HydrophobicContact CG2-CG 4.1Å; E267-A271 VanDerWaalsContact O-CB 3.31Å; E267-A271 WeakPolarHBondContact O-CB 3.37Å; E267-A271 PolarHBondContact O-N 3.43Å
268K96.4Very high97.1Very high155 Ų15560.8 Ų60.867%0.67429%0.294SS*.Hα-helixtrans-73.6-40.6-177.9-172.6-176.3178.4-1750110.6D266 A271 N272D266-K268 VanDerWaalsContact C-N 3.32Å; D266-K268 PolarHBondContact O-N 2.93Å; D266-K268 WeakPolarHBondContact OD1-CA 2.93Å; D266-K268 VanDerWaalsContact OD1-CB 3.23Å; D266-K268 WeakPolarHBondContact OD1-CB 3.18Å; D266-K268 PolarHBondContact OD1-N 3.41Å; K268-A271 WeakPolarHBondContact O-CB 3.27Å; K268-A271 PolarHBondContact O-N 3.43Å; K268-N272 VanDerWaalsContact O-CG 3.28Å; K268-N272 PolarHBondContact O-N 2.87Å; K268-N272 PolarHBondContact O-ND2 3.23Å
269E97.6Very high97.1Very high114 Ų11462.5 Ų62.553%0.53330%0.303SS..Hα-helixtrans-64.7-42.7174.5-66.8-178.2174.400112P264 D266 A271 N272 W273P264-E269 HydrophobicContact CB-CB 3.45Å; P264-E269 VanDerWaalsContact CB-CB 3.45Å; P264-E269 HydrophobicContact CG-CB 3.95Å; D266-E269 HydrophobicContact CB-CB 4.14Å; D266-E269 HydrophobicContact CB-CG 4.08Å; D266-E269 PolarHBondContact O-N 3.17Å; D266-E269 PolarHBondContact OD1-N 3.37Å; E269-A271 VanDerWaalsContact C-N 3.31Å; E269-A271 PolarHBondContact O-N 2.98Å; E269-N272 PolarHBondContact O-N 3.07Å; E269-W273 WeakPolarHBondContact O-CB 3.23Å; E269-W273 PolarHBondContact O-N 2.72Å
270A97.9Very high97.1Very high2 Ų264.5 Ų64.52%0.01731%0.31CS..Hα-helixtrans-64.8-36175.400000112.1F211 T212 P264 D266 W273 L274F211-A270 HydrophobicContact CE1-CB 4.46Å; T212-A270 HydrophobicContact CG2-CB 3.93Å; P264-A270 HydrophobicContact CB-CB 4.44Å; D266-A270 WeakPolarHBondContact O-CB 3.39Å; D266-A270 PolarHBondContact O-N 2.98Å; A270-W273 PolarHBondContact O-N 3.3Å; A270-L274 PolarHBondContact O-N 3.1Å
271A97.6Very high97.2Very high13 Ų1364.1 Ų64.111%0.10731%0.308CS..Hα-helixtrans-63.3-44.117200000112T208 T212 E267 K268 E269 W273 L274 H275T208-A271 HydrophobicContact CG2-CB 3.64Å; T212-A271 HydrophobicContact CG2-CB 4.25Å; E267-A271 VanDerWaalsContact O-CB 3.31Å; E267-A271 WeakPolarHBondContact O-CB 3.37Å; E267-A271 PolarHBondContact O-N 3.43Å; K268-A271 WeakPolarHBondContact O-CB 3.27Å; K268-A271 PolarHBondContact O-N 3.43Å; E269-A271 VanDerWaalsContact C-N 3.31Å; E269-A271 PolarHBondContact O-N 2.98Å; A271-W273 VanDerWaalsContact C-N 3.35Å; A271-L274 PolarHBondContact O-N 2.9Å; A271-H275 PolarHBondContact O-CD2 2.79Å; A271-H275 PolarHBondContact O-N 3.43Å
272N97.6Very high97.3Very high90 Ų9057.6 Ų57.648%0.48128%0.278SS..Hα-helixtrans-64.6-39.8175.7-70.7-20.3000111.9K268 E269 L274 H275 K276K268-N272 VanDerWaalsContact O-CG 3.28Å; K268-N272 PolarHBondContact O-N 2.87Å; K268-N272 PolarHBondContact O-ND2 3.23Å; E269-N272 PolarHBondContact O-N 3.07Å; N272-L274 VanDerWaalsContact C-N 3.32Å; N272-L274 PolarHBondContact O-N 3.39Å; N272-H275 PolarHBondContact O-N 3.45Å; N272-K276 PolarHBondContact O-N 2.95Å
273W98.4Very high97.4Very high45 Ų4555.6 Ų55.617%0.1728%0.276CS..Hα-helixtrans-57.5-45.5173-179.894000111.1I93 F211 V225 F258 I263 P264 E269 A270 A271 H275 K276 L277I93-W273 HydrophobicContact CD1-CZ3 4.2Å; F211-W273 AromaticContact CE1-CE3 3.75Å; F211-W273 HydrophobicContact CE1-CE3 3.75Å; F211-W273 AromaticContact CE1-CZ3 3.97Å; F211-W273 HydrophobicContact CE1-CZ3 3.97Å; F211-W273 AromaticContact CE2-CZ3 3.99Å; F211-W273 HydrophobicContact CE2-CZ3 3.99Å; F211-W273 AromaticContact CZ-CE3 3.55Å; F211-W273 HydrophobicContact CZ-CE3 3.55Å; F211-W273 HydrophobicContact CZ-CH2 4.41Å; F211-W273 AromaticContact CZ-CZ3 3.34Å; F211-W273 HydrophobicContact CZ-CZ3 3.34Å; V225-W273 HydrophobicContact CG1-CH2 4.16Å; F258-W273 HydrophobicContact CB-CZ2 4.16Å; F258-W273 AromaticContact CD1-CZ2 3.99Å; F258-W273 HydrophobicContact CD1-CZ2 3.99Å; F258-W273 HydrophobicContact CD2-CH2 4.33Å; F258-W273 HydrophobicContact CD2-CZ2 4.06Å; F258-W273 HydrophobicContact CE1-CZ2 4.39Å; F258-W273 HydrophobicContact CE2-CZ2 4.46Å; F258-W273 HydrophobicContact CG-CH2 4.42Å; F258-W273 AromaticContact CG-CZ2 3.8Å; F258-W273 HydrophobicContact CG-CZ2 3.8Å; I263-W273 HydrophobicContact CD1-CD2 3.93Å; I263-W273 HydrophobicContact CD1-CE3 4.2Å; I263-W273 HydrophobicContact CD1-CH2 3.56Å; I263-W273 HydrophobicContact CD1-CZ2 3.21Å; I263-W273 HydrophobicContact CD1-CZ3 4.04Å; P264-W273 HydrophobicContact CG-CB 4.35Å; E269-W273 WeakPolarHBondContact O-CB 3.23Å; E269-W273 PolarHBondContact O-N 2.72Å; A270-W273 PolarHBondContact O-N 3.3Å; A271-W273 VanDerWaalsContact C-N 3.35Å; W273-H275 PolarHBondContact O-N 3.08Å; W273-K276 PolarHBondContact O-N 3.23Å; W273-L277 HydrophobicContact CH2-CB 4.5Å; W273-L277 HydrophobicContact CH2-CD1 3.94Å; W273-L277 HydrophobicContact CH2-CD2 3.7Å; W273-L277 HydrophobicContact CH2-CG 4.26Å; W273-L277 HydrophobicContact CZ2-CD1 4.07Å; W273-L277 HydrophobicContact CZ3-CB 4.4Å; W273-L277 HydrophobicContact CZ3-CD2 3.73Å; W273-L277 HydrophobicContact CZ3-CG 4.48Å; W273-L277 WeakPolarHBondContact O-CB 3.35Å; W273-L277 PolarHBondContact O-N 3.12Å
274L98.6Very high97.4Very high0 Ų056.2 Ų56.20%028%0.279CS..Hα-helixtrans-64.1-40.2177-174.567.2000112.5I93 C175 P206 T208 F211 A270 A271 N272 K276 L277 Y278I93-L274 HydrophobicContact CD1-CD1 3.75Å; C175-L274 HydrophobicContact CB-CD1 4.46Å; C175-L274 HydrophobicContact CB-CD2 4.12Å; P206-L274 HydrophobicContact CB-CD2 3.85Å; P206-L274 HydrophobicContact CB-CG 3.96Å; P206-L274 HydrophobicContact CG-CD2 4.41Å; P206-L274 HydrophobicContact CG-CG 4.15Å; T208-L274 HydrophobicContact CG2-CD2 3.97Å; F211-L274 HydrophobicContact CB-CD2 3.84Å; F211-L274 HydrophobicContact CD1-CB 3.97Å; F211-L274 HydrophobicContact CD1-CD1 4.22Å; F211-L274 HydrophobicContact CD1-CD2 3.91Å; F211-L274 HydrophobicContact CD1-CG 4.26Å; F211-L274 HydrophobicContact CE1-CB 4.13Å; F211-L274 HydrophobicContact CG-CD1 4.21Å; F211-L274 HydrophobicContact CG-CD2 4.01Å; A270-L274 PolarHBondContact O-N 3.1Å; A271-L274 PolarHBondContact O-N 2.9Å; N272-L274 VanDerWaalsContact C-N 3.32Å; N272-L274 PolarHBondContact O-N 3.39Å; L274-K276 VanDerWaalsContact C-N 3.31Å; L274-K276 PolarHBondContact O-N 3.48Å; L274-L277 HydrophobicContact CD1-CD2 4.08Å; L274-L277 WeakPolarHBondContact O-CB 3.29Å; L274-L277 PolarHBondContact O-N 3.44Å; L274-Y278 HydrophobicContact CD1-CD2 4.03Å; L274-Y278 HydrophobicContact CD1-CE2 3.94Å; L274-Y278 HydrophobicContact CG-CD2 4.25Å; L274-Y278 HydrophobicContact CG-CE2 4.42Å; L274-Y278 WeakPolarHBondContact O-CD2 3.49Å; L274-Y278 PolarHBondContact O-N 2.84Å
275H98.1Very high97.4Very high30 Ų3055.1 Ų55.114%0.13927%0.271CS..Hα-helixtrans-62.8-38.2174.5-76.1-56.9000112.3A271 N272 W273 Q279A271-H275 PolarHBondContact O-CD2 2.79Å; A271-H275 PolarHBondContact O-N 3.43Å; N272-H275 PolarHBondContact O-N 3.45Å; W273-H275 PolarHBondContact O-N 3.08Å; H275-Q279 WeakPolarHBondContact O-CG 3.49Å; H275-Q279 PolarHBondContact O-N 3.47Å; H275-Q279 PolarHBondContact O-NE2 3.23Å
276K98.2Very high97.6Very high127 Ų12750.1 Ų50.155%0.55225%0.248SC*.Hα-helixtrans-67.6-44.2173.9-173.9-179.5175.2-174.60111.5N272 W273 L274 Y278 Q279 E280N272-K276 PolarHBondContact O-N 2.95Å; W273-K276 PolarHBondContact O-N 3.23Å; L274-K276 VanDerWaalsContact C-N 3.31Å; L274-K276 PolarHBondContact O-N 3.48Å; K276-Y278 PolarHBondContact O-N 3Å; K276-Q279 WeakPolarHBondContact O-CB 3.36Å; K276-Q279 PolarHBondContact O-N 3.46Å; K276-E280 WeakPolarHBondContact CE-OE1 3.19Å; K276-E280 PolarHBondContact O-N 3.2Å
277L98.5Very high97.6Very high4 Ų449 Ų492%0.02124%0.241CC..Hα-helixtrans-54.3-43.3176.3-173.777.2000111.6I93 D227 F258 W273 L274 E280 K281I93-L277 HydrophobicContact CD1-CD2 3.63Å; I93-L277 HydrophobicContact CG2-CD2 4.46Å; D227-L277 HydrophobicContact CB-CD1 4.07Å; D227-L277 HydrophobicContact CB-CD2 4.43Å; D227-L277 WeakPolarHBondContact OD1-CD2 3.29Å; F258-L277 HydrophobicContact CD2-CD1 4.44Å; F258-L277 HydrophobicContact CE2-CD1 3.65Å; F258-L277 HydrophobicContact CZ-CD1 3.84Å; W273-L277 HydrophobicContact CH2-CB 4.5Å; W273-L277 HydrophobicContact CH2-CD1 3.94Å; W273-L277 HydrophobicContact CH2-CD2 3.7Å; W273-L277 HydrophobicContact CH2-CG 4.26Å; W273-L277 HydrophobicContact CZ2-CD1 4.07Å; W273-L277 HydrophobicContact CZ3-CB 4.4Å; W273-L277 HydrophobicContact CZ3-CD2 3.73Å; W273-L277 HydrophobicContact CZ3-CG 4.48Å; W273-L277 WeakPolarHBondContact O-CB 3.35Å; W273-L277 PolarHBondContact O-N 3.12Å; L274-L277 HydrophobicContact CD1-CD2 4.08Å; L274-L277 WeakPolarHBondContact O-CB 3.29Å; L274-L277 PolarHBondContact O-N 3.44Å; L277-E280 PolarHBondContact O-N 2.86Å; L277-K281 WeakPolarHBondContact O-CG 3.33Å; L277-K281 PolarHBondContact O-N 2.94Å
278Y98.4Very high97.7Very high0 Ų045.5 Ų45.50%022%0.224CC..Hα-helixtrans-70-30.4178.4-94.3-98.6000113.8I93 C175 E176 L200 H203 P206 L274 K276 K281 D282I93-Y278 HydrophobicContact CG2-CE2 3.97Å; C175-Y278 HydrophobicContact CB-CE2 3.82Å; C175-Y278 WeakPolarHBondContact CB-OH 3.49Å; E176-Y278 HydrophobicContact CG-CE1 3.6Å; L200-Y278 HydrophobicContact CD1-CD1 4.42Å; H203-Y278 HydrophobicContact CB-CD1 3.95Å; H203-Y278 HydrophobicContact CB-CE1 4.24Å; P206-Y278 HydrophobicContact CB-CD1 4.33Å; P206-Y278 HydrophobicContact CB-CD2 3.56Å; P206-Y278 HydrophobicContact CB-CE1 4.38Å; P206-Y278 HydrophobicContact CB-CE2 3.6Å; P206-Y278 HydrophobicContact CB-CG 3.93Å; P206-Y278 HydrophobicContact CG-CD1 4.32Å; P206-Y278 HydrophobicContact CG-CD2 3.58Å; P206-Y278 HydrophobicContact CG-CE2 4.18Å; P206-Y278 HydrophobicContact CG-CG 3.65Å; L274-Y278 HydrophobicContact CD1-CD2 4.03Å; L274-Y278 HydrophobicContact CD1-CE2 3.94Å; L274-Y278 HydrophobicContact CG-CD2 4.25Å; L274-Y278 HydrophobicContact CG-CE2 4.42Å; L274-Y278 WeakPolarHBondContact O-CD2 3.49Å; L274-Y278 PolarHBondContact O-N 2.84Å; K276-Y278 PolarHBondContact O-N 3Å; Y278-K281 HydrophobicContact CD1-CD 4.35Å; Y278-K281 HydrophobicContact CE1-CD 4.32Å; Y278-K281 HydrophobicContact CG-CD 4.47Å; Y278-K281 PolarHBondContact O-N 3.42Å; Y278-D282 WeakPolarHBondContact O-CB 3.4Å; Y278-D282 PolarHBondContact O-N 3.5Å
279Q98.3Very high97.6Very high80 Ų8040.9 Ų40.937%0.37421%0.207SC..Hα-helixtrans-65-42170-70.6167.566.700111.1P198 L200 H275 K276 D282 A283P198-Q279 HydrophobicContact CB-CG 4.41Å; L200-Q279 HydrophobicContact CD2-CB 4.44Å; L200-Q279 HydrophobicContact CD2-CG 3.86Å; H275-Q279 WeakPolarHBondContact O-CG 3.49Å; H275-Q279 PolarHBondContact O-N 3.47Å; H275-Q279 PolarHBondContact O-NE2 3.23Å; K276-Q279 WeakPolarHBondContact O-CB 3.36Å; K276-Q279 PolarHBondContact O-N 3.46Å; Q279-D282 WeakPolarHBondContact O-CB 3.5Å; Q279-D282 PolarHBondContact O-N 3.03Å; Q279-A283 PolarHBondContact O-N 3.11Å; Q279-A283 VanDerWaalsContact O-N 3.07Å
280E98.2Very high97.4Very high71 Ų7141.9 Ų41.933%0.33221%0.211SC..Hα-helixtrans-66.3-38.9175.7-63.8172.6-167.600112R256 K276 L277 D282 A283 L284R256-E280 IonicContact CZ-OE2 3.78Å; R256-E280 IonicContact NH1-OE2 3.66Å; R256-E280 PolarHBondContact NH1-OE2 2.79Å; R256-E280 IonicContact NH2-OE2 2.64Å; K276-E280 WeakPolarHBondContact CE-OE1 3.19Å; K276-E280 PolarHBondContact O-N 3.2Å; L277-E280 PolarHBondContact O-N 2.86Å; E280-D282 VanDerWaalsContact C-N 3.27Å; E280-D282 PolarHBondContact O-N 3.07Å; E280-A283 PolarHBondContact O-N 3.23Å; E280-L284 WeakPolarHBondContact O-CB 3.31Å; E280-L284 PolarHBondContact O-N 3.06Å
281K97.8Very high97.3Very high0 Ų047.5 Ų47.50%024%0.237CC..Hα-helixtrans-60.7-37171.9-77-170.7174.7-60.90112.7H203 D227 V228 T229 L277 Y278 L284 Q285H203-K281 PolarHBondContact NE2-O 3.19Å; D227-K281 WeakPolarHBondContact OD1-CE 3.2Å; D227-K281 IonicContact OD1-NZ 2.61Å; D227-K281 PolarHBondContact OD1-NZ 3.43Å; D227-K281 IonicContact OD2-NZ 3.26Å; D227-K281 PolarHBondContact OD2-NZ 3.41Å; V228-K281 VanDerWaalsContact C-NZ 3.25Å; V228-K281 PolarHBondContact O-NZ 3Å; T229-K281 PolarHBondContact OG1-NZ 2.83Å; L277-K281 WeakPolarHBondContact O-CG 3.33Å; L277-K281 PolarHBondContact O-N 2.94Å; Y278-K281 HydrophobicContact CD1-CD 4.35Å; Y278-K281 HydrophobicContact CE1-CD 4.32Å; Y278-K281 HydrophobicContact CG-CD 4.47Å; Y278-K281 PolarHBondContact O-N 3.42Å; K281-L284 PolarHBondContact O-N 3.35Å; K281-Q285 WeakPolarHBondContact O-CB 3.27Å; K281-Q285 PolarHBondContact O-N 3.37Å
282D97.8Very high97.1Very high21 Ų2148.9 Ų48.911%0.11225%0.253CS..Hα-helixtrans-67.2-45.3179.4-155.368.8000110.9L200 K201 Y202 H203 Y278 Q279 E280 L284 Q285 E286L200-D282 HydrophobicContact CD2-CB 4.08Å; K201-D282 VanDerWaalsContact N-CG 3.3Å; K201-D282 PolarHBondContact N-OD1 2.8Å; K201-D282 VanDerWaalsContact N-OD1 3.11Å; K201-D282 PolarHBondContact N-OD2 2.8Å; Y202-D282 WeakPolarHBondContact CA-OD1 3.07Å; Y202-D282 PolarHBondContact N-OD1 2.99Å; H203-D282 IonicContact CD2-OD1 3.87Å; H203-D282 PolarHBondContact CD2-OD1 3.33Å; H203-D282 PolarHBondContact N-OD1 2.9Å; Y278-D282 WeakPolarHBondContact O-CB 3.4Å; Y278-D282 PolarHBondContact O-N 3.5Å; Q279-D282 WeakPolarHBondContact O-CB 3.5Å; Q279-D282 PolarHBondContact O-N 3.03Å; E280-D282 VanDerWaalsContact C-N 3.27Å; E280-D282 PolarHBondContact O-N 3.07Å; D282-L284 VanDerWaalsContact C-N 3.33Å; D282-L284 PolarHBondContact O-N 3.46Å; D282-Q285 PolarHBondContact O-N 3.01Å; D282-E286 PolarHBondContact O-N 3.22Å
283A97.9Very high97Very high61 Ų6147.7 Ų47.750%0.50425%0.246SC..Hα-helixtrans-62.2-39.3172.700000112.4Q279 E280 Q285 E286 M287Q279-A283 PolarHBondContact O-N 3.11Å; Q279-A283 VanDerWaalsContact O-N 3.07Å; E280-A283 PolarHBondContact O-N 3.23Å; A283-Q285 VanDerWaalsContact C-N 3.29Å; A283-Q285 PolarHBondContact O-N 3.34Å; A283-E286 WeakPolarHBondContact O-CB 3.45Å; A283-E286 PolarHBondContact O-N 3.44Å; A283-M287 PolarHBondContact O-N 2.9Å
284L97.4Very high96.9Very high14 Ų1445.8 Ų45.87%0.07324%0.238CC..Hα-helixtrans-63.4-36.3175.1-174.764.9000112.2T229 C254 E280 K281 D282 M287 Y288 F294 P295T229-L284 HydrophobicContact CG2-CD2 4.34Å; C254-L284 HydrophobicContact CB-CD2 4.01Å; E280-L284 WeakPolarHBondContact O-CB 3.31Å; E280-L284 PolarHBondContact O-N 3.06Å; K281-L284 PolarHBondContact O-N 3.35Å; D282-L284 VanDerWaalsContact C-N 3.33Å; D282-L284 PolarHBondContact O-N 3.46Å; L284-M287 HydrophobicContact CD1-SD 4.4Å; L284-Y288 PolarHBondContact O-N 2.87Å; L284-F294 HydrophobicContact CD1-CD1 3.96Å; L284-F294 HydrophobicContact CD2-CD1 4.31Å; L284-F294 HydrophobicContact CD2-CE1 4.34Å; L284-F294 HydrophobicContact CG-CD1 3.87Å; L284-F294 HydrophobicContact CG-CE1 3.93Å; L284-P295 VanDerWaalsContact CD1-CD 3.41Å; L284-P295 HydrophobicContact CD1-CG 3.55Å
285Q96.8Very high96.6Very high10 Ų1048.4 Ų48.45%0.04726%0.255CS..Hα-helixtrans-72.9-36.9176.4-174.459.360.900112.1Y202 N231 K281 D282 A283 Y288 N289Y202-Q285 VanDerWaalsContact CB-CG 3.47Å; Y202-Q285 HydrophobicContact CD1-CG 4.09Å; Y202-Q285 HydrophobicContact CD2-CB 3.95Å; Y202-Q285 HydrophobicContact CD2-CG 3.91Å; Y202-Q285 HydrophobicContact CG-CB 4.06Å; Y202-Q285 HydrophobicContact CG-CG 3.55Å; N231-Q285 PolarHBondContact ND2-NE2 2.99Å; K281-Q285 WeakPolarHBondContact O-CB 3.27Å; K281-Q285 PolarHBondContact O-N 3.37Å; D282-Q285 PolarHBondContact O-N 3.01Å; A283-Q285 VanDerWaalsContact C-N 3.29Å; A283-Q285 PolarHBondContact O-N 3.34Å; Q285-Y288 PolarHBondContact O-N 3.13Å; Q285-N289 PolarHBondContact NE2-OD1 2.71Å; Q285-N289 PolarHBondContact O-N 2.84Å; Q285-N289 PolarHBondContact O-ND2 3.37Å
286E96.8Very high96.3Very high53 Ų5350 Ų5025%0.24828%0.28CS..Hα-helixtrans-57.2-51.8169.5-175.769.9-132.700110.6K201 Y202 D282 A283 Y288 N289 Q290K201-E286 WeakPolarHBondContact CD-OE2 3.44Å; K201-E286 IonicContact NZ-OE1 2.72Å; K201-E286 PolarHBondContact NZ-OE1 3.26Å; K201-E286 IonicContact NZ-OE2 2.98Å; K201-E286 PolarHBondContact NZ-OE2 3.15Å; Y202-E286 HydrophobicContact CE2-CB 3.7Å; Y202-E286 HydrophobicContact CE2-CG 4.38Å; Y202-E286 WeakPolarHBondContact CE2-OE2 3.5Å; Y202-E286 PolarHBondContact OH-OE1 2.95Å; Y202-E286 PolarHBondContact OH-OE2 2.71Å; D282-E286 PolarHBondContact O-N 3.22Å; A283-E286 WeakPolarHBondContact O-CB 3.45Å; A283-E286 PolarHBondContact O-N 3.44Å; E286-Y288 PolarHBondContact O-N 3.26Å; E286-N289 WeakPolarHBondContact O-CB 3.38Å; E286-N289 PolarHBondContact O-N 3.24Å; E286-N289 VanDerWaalsContact O-N 3.1Å; E286-Q290 WeakPolarHBondContact O-CG 3.29Å; E286-Q290 PolarHBondContact O-N 3.43Å; E286-Q290 VanDerWaalsContact O-N 3.08Å; E286-Q290 PolarHBondContact OE1-NE2 3.44Å
287M96.1Very high96.2Very high59 Ų5948.9 Ų48.929%0.29128%0.277SS..Hα-helixtrans-56-49178179.6-161.1-65.600111.3A283 L284 N289 Q290 E291 P295A283-M287 PolarHBondContact O-N 2.9Å; L284-M287 HydrophobicContact CD1-SD 4.4Å; M287-N289 VanDerWaalsContact C-N 3.26Å; M287-N289 PolarHBondContact O-N 3.17Å; M287-Q290 PolarHBondContact O-N 2.7Å; M287-E291 HydrophobicContact CG-CG 4.27Å; M287-E291 WeakPolarHBondContact O-CB 3.33Å; M287-E291 PolarHBondContact O-N 2.97Å; M287-P295 HydrophobicContact CE-CG 4.26Å; M287-P295 HydrophobicContact SD-CB 4Å; M287-P295 VanDerWaalsContact SD-CD 3.54Å; M287-P295 HydrophobicContact SD-CG 3.67Å
288Y96.4Very high96.1Very high6 Ų652.9 Ų52.92%0.02430%0.295CS..Hα-helixtrans-60.3-37.3178.5-173.3-79.6000112.2N231 D252 L284 Q285 E286 Q290 G292 F294N231-Y288 HydrophobicContact CB-CD1 4.09Å; N231-Y288 HydrophobicContact CB-CE1 3.83Å; N231-Y288 HydrophobicContact CB-CE2 4.48Å; N231-Y288 WeakPolarHBondContact ND2-CD1 3.34Å; N231-Y288 WeakPolarHBondContact ND2-CE1 3.38Å; D252-Y288 HydrophobicContact CB-CE2 3.87Å; D252-Y288 PolarHBondContact OD2-OH 3.41Å; L284-Y288 PolarHBondContact O-N 2.87Å; Q285-Y288 PolarHBondContact O-N 3.13Å; E286-Y288 PolarHBondContact O-N 3.26Å; Y288-Q290 VanDerWaalsContact C-N 3.28Å; Y288-Q290 PolarHBondContact O-N 2.9Å; Y288-G292 WeakPolarHBondContact O-CA 3.47Å; Y288-G292 PolarHBondContact O-N 3.25Å; Y288-F294 HydrophobicContact CD2-CB 4.3Å; Y288-F294 AromaticContact CD2-CD1 3.5Å; Y288-F294 HydrophobicContact CD2-CD1 3.5Å; Y288-F294 AromaticContact CD2-CD2 3.52Å; Y288-F294 HydrophobicContact CD2-CD2 3.52Å; Y288-F294 AromaticContact CD2-CE1 3.51Å; Y288-F294 HydrophobicContact CD2-CE1 3.51Å; Y288-F294 AromaticContact CD2-CE2 3.53Å; Y288-F294 HydrophobicContact CD2-CE2 3.53Å; Y288-F294 AromaticContact CD2-CG 3.49Å; Y288-F294 HydrophobicContact CD2-CG 3.49Å; Y288-F294 VanDerWaalsContact CD2-CG 3.49Å; Y288-F294 AromaticContact CD2-CZ 3.52Å; Y288-F294 HydrophobicContact CD2-CZ 3.52Å; Y288-F294 HydrophobicContact CE2-CD1 4.44Å; Y288-F294 AromaticContact CE2-CD2 3.64Å; Y288-F294 HydrophobicContact CE2-CD2 3.64Å; Y288-F294 HydrophobicContact CE2-CE1 4.44Å; Y288-F294 AromaticContact CE2-CE2 3.63Å; Y288-F294 HydrophobicContact CE2-CE2 3.63Å; Y288-F294 HydrophobicContact CE2-CG 4.05Å; Y288-F294 HydrophobicContact CE2-CZ 4.05Å; Y288-F294 HydrophobicContact CG-CD1 4.11Å; Y288-F294 AromaticContact CG-CE1 3.79Å; Y288-F294 HydrophobicContact CG-CE1 3.79Å; Y288-F294 HydrophobicContact CG-CE2 4.35Å; Y288-F294 AromaticContact CG-CZ 3.92Å; Y288-F294 HydrophobicContact CG-CZ 3.92Å
289N94.9Very high96.1Very high59 Ų5954 Ų5432%0.31630%0.3SS..Hα-helixtrans-68-29.5177.7-69-21000112.5Y202 Q285 E286 M287Y202-N289 WeakPolarHBondContact CE1-ND2 3.33Å; Y202-N289 VanDerWaalsContact CZ-ND2 3.27Å; Y202-N289 PolarHBondContact OH-ND2 3.38Å; Q285-N289 PolarHBondContact NE2-OD1 2.71Å; Q285-N289 PolarHBondContact O-N 2.84Å; Q285-N289 PolarHBondContact O-ND2 3.37Å; E286-N289 WeakPolarHBondContact O-CB 3.38Å; E286-N289 PolarHBondContact O-N 3.24Å; E286-N289 VanDerWaalsContact O-N 3.1Å; M287-N289 VanDerWaalsContact C-N 3.26Å; M287-N289 PolarHBondContact O-N 3.17Å
290Q94.4Very high95.9Very high134 Ų13455.1 Ų55.163%0.62630%0.304SS*.Hα-helixtrans-82.4-43.6178.4-66.8175.36.900112.2E286 M287 Y288E286-Q290 WeakPolarHBondContact O-CG 3.29Å; E286-Q290 PolarHBondContact O-N 3.43Å; E286-Q290 VanDerWaalsContact O-N 3.08Å; E286-Q290 PolarHBondContact OE1-NE2 3.44Å; M287-Q290 PolarHBondContact O-N 2.7Å; Y288-Q290 VanDerWaalsContact C-N 3.28Å; Y288-Q290 PolarHBondContact O-N 2.9Å
291E94.6Very high95.6Very high121 Ų12152.7 Ų52.757%0.56529%0.294SS*.Hα-helixtrans-97-21.2-172.1-61.1-175.7-169.400113.4M287 I293M287-E291 HydrophobicContact CG-CG 4.27Å; M287-E291 WeakPolarHBondContact O-CB 3.33Å; M287-E291 PolarHBondContact O-N 2.97Å; E291-I293 VanDerWaalsContact C-N 3.25Å; E291-I293 HydrophobicContact CB-CG2 4.37Å; E291-I293 PolarHBondContact O-N 3.1Å
292G93.4Very high95.4Very high42 Ų4257.8 Ų57.843%0.43333%0.327SS..SBendtrans76.56.6-176.700000114.8Y288Y288-G292 WeakPolarHBondContact O-CA 3.47Å; Y288-G292 PolarHBondContact O-N 3.25Å
293I95.1Very high95.3Very high65 Ų6561 Ų6133%0.33334%0.338SS..SBendtrans-148.1154.7-178.2-163.6167.6000110.3F76 E291F76-I293 HydrophobicContact CD1-CG1 4.38Å; F76-I293 HydrophobicContact CE1-CD1 3.68Å; F76-I293 HydrophobicContact CE1-CG1 3.35Å; F76-I293 HydrophobicContact CZ-CD1 3.99Å; F76-I293 HydrophobicContact CZ-CG1 3.53Å; E291-I293 VanDerWaalsContact C-N 3.25Å; E291-I293 HydrophobicContact CB-CG2 4.37Å; E291-I293 PolarHBondContact O-N 3.1Å
294F96.9Very high95.2Very high4 Ų461.6 Ų61.62%0.01833%0.327CS..  trans-85.3154.3172.2-75.1-57000111.3F76 T229 N231 D252 C254 L284 Y288F76-F294 HydrophobicContact CB-CB 3.85Å; F76-F294 HydrophobicContact CD1-CB 3.96Å; F76-F294 VanDerWaalsContact CD1-O 3.26Å; F76-F294 WeakPolarHBondContact CD1-O 3.47Å; F76-F294 HydrophobicContact CD2-CB 3.96Å; F76-F294 HydrophobicContact CD2-CD2 4.08Å; F76-F294 HydrophobicContact CG-CB 3.64Å; T229-F294 HydrophobicContact CG2-CE1 4.02Å; T229-F294 HydrophobicContact CG2-CZ 3.87Å; N231-F294 HydrophobicContact CB-CE2 4.19Å; N231-F294 HydrophobicContact CB-CZ 3.93Å; D252-F294 HydrophobicContact CB-CD2 4.01Å; D252-F294 HydrophobicContact CB-CE2 4.13Å; D252-F294 WeakPolarHBondContact O-CE2 3.49Å; C254-F294 HydrophobicContact CB-CB 3.92Å; C254-F294 HydrophobicContact CB-CD1 3.9Å; C254-F294 HydrophobicContact CB-CD2 3.83Å; C254-F294 HydrophobicContact CB-CE1 4.4Å; C254-F294 HydrophobicContact CB-CE2 4.33Å; C254-F294 HydrophobicContact CB-CG 3.61Å; L284-F294 HydrophobicContact CD1-CD1 3.96Å; L284-F294 HydrophobicContact CD2-CD1 4.31Å; L284-F294 HydrophobicContact CD2-CE1 4.34Å; L284-F294 HydrophobicContact CG-CD1 3.87Å; L284-F294 HydrophobicContact CG-CE1 3.93Å; Y288-F294 HydrophobicContact CD2-CB 4.3Å; Y288-F294 AromaticContact CD2-CD1 3.5Å; Y288-F294 HydrophobicContact CD2-CD1 3.5Å; Y288-F294 AromaticContact CD2-CD2 3.52Å; Y288-F294 HydrophobicContact CD2-CD2 3.52Å; Y288-F294 AromaticContact CD2-CE1 3.51Å; Y288-F294 HydrophobicContact CD2-CE1 3.51Å; Y288-F294 AromaticContact CD2-CE2 3.53Å; Y288-F294 HydrophobicContact CD2-CE2 3.53Å; Y288-F294 AromaticContact CD2-CG 3.49Å; Y288-F294 HydrophobicContact CD2-CG 3.49Å; Y288-F294 VanDerWaalsContact CD2-CG 3.49Å; Y288-F294 AromaticContact CD2-CZ 3.52Å; Y288-F294 HydrophobicContact CD2-CZ 3.52Å; Y288-F294 HydrophobicContact CE2-CD1 4.44Å; Y288-F294 AromaticContact CE2-CD2 3.64Å; Y288-F294 HydrophobicContact CE2-CD2 3.64Å; Y288-F294 HydrophobicContact CE2-CE1 4.44Å; Y288-F294 AromaticContact CE2-CE2 3.63Å; Y288-F294 HydrophobicContact CE2-CE2 3.63Å; Y288-F294 HydrophobicContact CE2-CG 4.05Å; Y288-F294 HydrophobicContact CE2-CZ 4.05Å; Y288-F294 HydrophobicContact CG-CD1 4.11Å; Y288-F294 AromaticContact CG-CE1 3.79Å; Y288-F294 HydrophobicContact CG-CE1 3.79Å; Y288-F294 HydrophobicContact CG-CE2 4.35Å; Y288-F294 AromaticContact CG-CZ 3.92Å; Y288-F294 HydrophobicContact CG-CZ 3.92Å
295P93.3Very high95.2Very high55 Ų5563.8 Ų63.836%0.35734%0.342SS..SBendtrans-71.5156.6174.332.4-34.3000110.9L284 M287L284-P295 VanDerWaalsContact CD1-CD 3.41Å; L284-P295 HydrophobicContact CD1-CG 3.55Å; M287-P295 HydrophobicContact CE-CG 4.26Å; M287-P295 HydrophobicContact SD-CB 4Å; M287-P295 VanDerWaalsContact SD-CD 3.54Å; M287-P295 HydrophobicContact SD-CG 3.67Å
296G90.9Very high95.2Very high63 Ų6369.5 Ų69.565%0.64936%0.364SS*.SBendtrans103.2-179.2176.200000114
297Q96.2Very high95.3Very high104 Ų10467 Ų6749%0.48635%0.352SS..EExtended strand (participates in β ladder)trans-76.1136.4-178.7-176.9178.90.400110.3F76 S77 F299F76-Q297 WeakPolarHBondContact CA-O 3.37Å; S77-Q297 PolarHBondContact N-O 2.86Å; S77-Q297 VanDerWaalsContact N-O 3.16Å; S77-Q297 PolarHBondContact O-N 2.99Å; S77-Q297 VanDerWaalsContact O-N 3.1Å; Q297-F299 HydrophobicContact CB-CE2 3.75Å; Q297-F299 HydrophobicContact CB-CZ 3.96Å; Q297-F299 HydrophobicContact CG-CD2 4.5Å; Q297-F299 HydrophobicContact CG-CE1 4.2Å; Q297-F299 HydrophobicContact CG-CE2 3.81Å; Q297-F299 HydrophobicContact CG-CZ 3.65Å; Q297-F299 VanDerWaalsContact O-CD2 3.28Å; Q297-F299 WeakPolarHBondContact O-CD2 3.27Å; Q297-F299 WeakPolarHBondContact O-CE2 3.42Å; Q297-F299 VanDerWaalsContact OE1-CZ 3.29Å
298Q97.1Very high95.4Very high88 Ų8866.6 Ų66.641%0.41135%0.351SS..EExtended strand (participates in β ladder)trans-84.5128.4178-161.7-170.8-71.700111.3T74 L75 F76T74-Q298 HydrophobicContact CG2-CG 3.12Å; L75-Q298 CarbonylContact O-C 3.59Å; L75-Q298 WeakPolarHBondContact O-CA 3.4Å; F76-Q298 HydrophobicContact CE1-CB 4.26Å; F76-Q298 HydrophobicContact CE1-CG 4.03Å; F76-Q298 HydrophobicContact CZ-CG 4.05Å
299F97.1Very high95.5Very high25 Ų2570.6 Ų70.611%0.1137%0.372CS..EExtended strand (participates in β ladder)trans-122.2136.5173.4-58.8-85.5000110.4L75 S77 Q79 V82 Q297L75-F299 HydrophobicContact CB-CB 4.15Å; L75-F299 HydrophobicContact CD2-CB 4.14Å; L75-F299 HydrophobicContact CD2-CD2 4.35Å; L75-F299 PolarHBondContact N-O 3.48Å; L75-F299 PolarHBondContact O-N 3.17Å; S77-F299 WeakPolarHBondContact O-CE2 3.46Å; Q79-F299 HydrophobicContact CB-CZ 4.24Å; V82-F299 HydrophobicContact CG2-CD1 4.42Å; V82-F299 HydrophobicContact CG2-CD2 3.73Å; V82-F299 HydrophobicContact CG2-CE1 4.41Å; V82-F299 HydrophobicContact CG2-CE2 3.69Å; V82-F299 HydrophobicContact CG2-CG 4.09Å; V82-F299 HydrophobicContact CG2-CZ 4.04Å; Q297-F299 HydrophobicContact CB-CE2 3.75Å; Q297-F299 HydrophobicContact CB-CZ 3.96Å; Q297-F299 HydrophobicContact CG-CD2 4.5Å; Q297-F299 HydrophobicContact CG-CE1 4.2Å; Q297-F299 HydrophobicContact CG-CE2 3.81Å; Q297-F299 HydrophobicContact CG-CZ 3.65Å; Q297-F299 VanDerWaalsContact O-CD2 3.28Å; Q297-F299 WeakPolarHBondContact O-CD2 3.27Å; Q297-F299 WeakPolarHBondContact O-CE2 3.42Å; Q297-F299 VanDerWaalsContact OE1-CZ 3.29Å
300K95.2Very high95.7Very high102 Ų10269.2 Ų69.244%0.44336%0.364SS..  trans-12382169.7-70.9-170.3173-165.70108.3E72 T74E72-K300 IonicContact OE2-NZ 2.78Å; E72-K300 PolarHBondContact OE2-NZ 3.33Å; T74-K300 HydrophobicContact CG2-CG 4.14Å
301P92.3Very high95.9Very high20 Ų2064.2 Ų64.213%0.1334%0.341CS..PPolyproline II helixtrans-58.7138.2179.7-14.625.9000109.1R111 F112R111-P301 HydrophobicContact CB-CB 4.22Å; R111-P301 WeakPolarHBondContact CD-O 3.46Å; R111-P301 VanDerWaalsContact CZ-O 3.29Å; R111-P301 PolarHBondContact NE-O 3.16Å; R111-P301 PolarHBondContact NH1-O 2.96Å; F112-P301 HydrophobicContact CE2-CB 4.47Å; F112-P301 HydrophobicContact CE2-CG 3.99Å; F112-P301 HydrophobicContact CZ-CB 4.02Å; F112-P301 HydrophobicContact CZ-CG 3.61Å
302P93.8Very high96.1Very high108 Ų10862.5 Ų62.570%0.70134%0.335SS*.PPolyproline II helixtrans-65.8147.8-171.426.4-34.5000111.8R304P302-R304 PolarHBondContact O-N 3.41Å
303R95.1Very high96.3Very high87 Ų8766.1 Ų66.133%0.32834%0.339SS..PPolyproline II helixtrans-63.3133.3170.6-66-179179.6161.4-0.8109.1E66 W67 G70 T71E66-R303 PolarHBondContact O-NH1 3.48Å; E66-R303 PolarHBondContact O-NH2 3.33Å; W67-R303 HydrophobicContact CZ2-CB 4.02Å; G70-R303 PolarHBondContact O-NH2 2.78Å; T71-R303 PolarHBondContact O-NH2 3.02Å
304R94.9Very high96.5Very high74 Ų7464.2 Ų64.228%0.27933%0.328SS..PPolyproline II helixtrans-88.2137.9174.2-62.4173.972.4-154.7-2.7109.2E110 P302 W306E110-R304 WeakPolarHBondContact O-CD 3.47Å; E110-R304 PolarHBondContact O-NH1 2.87Å; E110-R304 IonicContact OE1-CZ 2.76Å; E110-R304 IonicContact OE1-NE 3.36Å; E110-R304 IonicContact OE1-NH1 3.5Å; E110-R304 PolarHBondContact OE1-NH1 3.44Å; P302-R304 PolarHBondContact O-N 3.41Å; R304-W306 VanDerWaalsContact CZ-CD1 3.5Å; R304-W306 VanDerWaalsContact NH2-CD1 3.33Å; R304-W306 PolarHBondContact O-N 2.94Å
305P97.3Very high96.6Very high61 Ų6164.8 Ų64.840%0.39633%0.333SS..THydrogen-bonded Turntrans-70.8-15-17729.3-35.8000113.3T307 L308 L309P305-T307 VanDerWaalsContact C-N 3.32Å; P305-T307 PolarHBondContact O-N 3.47Å; P305-L308 PolarHBondContact O-N 2.86Å; P305-L308 VanDerWaalsContact O-N 3.17Å; P305-L309 HydrophobicContact CB-CD1 4.24Å; P305-L309 WeakPolarHBondContact O-CG 3.13Å; P305-L309 PolarHBondContact O-N 3.42Å
306W97.9Very high96.8Very high130 Ų13066.1 Ų66.149%0.49234%0.34SS..Hα-helixtrans-60.3-35.8-171-51.8120.7000114.1Y55 R304 L309 N310Y55-W306 WeakPolarHBondContact OH-CB 3.24Å; R304-W306 VanDerWaalsContact CZ-CD1 3.5Å; R304-W306 VanDerWaalsContact NH2-CD1 3.33Å; R304-W306 PolarHBondContact O-N 2.94Å; W306-L309 HydrophobicContact CE3-CD1 4.02Å; W306-L309 HydrophobicContact CZ3-CD1 4.17Å; W306-L309 PolarHBondContact O-N 3.17Å; W306-N310 WeakPolarHBondContact O-CB 3.47Å; W306-N310 PolarHBondContact O-N 2.95Å
307T98.1Very high97.1Very high0 Ų066.6 Ų66.60%033%0.33CS..Hα-helixtrans-65.8-41.8178.159.60000111.7S59 V62 W67 E110 P305 F311S59-T307 WeakPolarHBondContact O-CB 3.29Å; V62-T307 HydrophobicContact CB-CG2 4.15Å; V62-T307 HydrophobicContact CG1-CG2 3.98Å; W67-T307 PolarHBondContact NE1-OG1 3.09Å; E110-T307 VanDerWaalsContact CD-CG2 3.46Å; E110-T307 HydrophobicContact CG-CG2 3.61Å; P305-T307 VanDerWaalsContact C-N 3.32Å; P305-T307 PolarHBondContact O-N 3.47Å; T307-F311 PolarHBondContact O-N 3.14Å; T307-F311 VanDerWaalsContact O-N 3.12Å
308L98.4Very high97.2Very high51 Ų5162.5 Ų62.527%0.26731%0.312SS..Hα-helixtrans-67.5-48.3174.5179.462.2000111.4M63 W67 P305 N310 F311 L312M63-L308 HydrophobicContact CG-CD1 4.32Å; W67-L308 HydrophobicContact CD2-CB 4.04Å; W67-L308 HydrophobicContact CD2-CD2 4.04Å; W67-L308 HydrophobicContact CE3-CD2 3.82Å; W67-L308 HydrophobicContact CG-CB 4.15Å; W67-L308 HydrophobicContact CH2-CD2 4.49Å; W67-L308 HydrophobicContact CZ2-CB 4.49Å; W67-L308 HydrophobicContact CZ3-CD2 4.06Å; P305-L308 PolarHBondContact O-N 2.86Å; P305-L308 VanDerWaalsContact O-N 3.17Å; L308-N310 VanDerWaalsContact C-N 3.34Å; L308-N310 PolarHBondContact O-N 3.26Å; L308-F311 PolarHBondContact O-N 3.39Å; L308-L312 HydrophobicContact CD1-CD1 4.2Å; L308-L312 HydrophobicContact CD1-CG 4.17Å; L308-L312 HydrophobicContact CG-CD1 4.01Å; L308-L312 HydrophobicContact CG-CG 4.39Å; L308-L312 VanDerWaalsContact O-CG 3.32Å; L308-L312 WeakPolarHBondContact O-CG 3.49Å; L308-L312 PolarHBondContact O-N 2.98Å
309L98.6Very high97.2Very high90 Ų9059.5 Ų59.547%0.47130%0.299SS..Hα-helixtrans-60.7-42.6179.9-68.8175.2000111.9P305 W306 L312 F313P305-L309 HydrophobicContact CB-CD1 4.24Å; P305-L309 WeakPolarHBondContact O-CG 3.13Å; P305-L309 PolarHBondContact O-N 3.42Å; W306-L309 HydrophobicContact CE3-CD1 4.02Å; W306-L309 HydrophobicContact CZ3-CD1 4.17Å; W306-L309 PolarHBondContact O-N 3.17Å; L309-L312 PolarHBondContact O-N 3.46Å; L309-F313 WeakPolarHBondContact O-CB 3.33Å; L309-F313 PolarHBondContact O-N 3.4Å
310N98.6Very high97.2Very high29 Ų2961.2 Ų61.216%0.15531%0.313CS..Hα-helixtrans-63-43.8175.9-179.967.4000111.7S56 S59 W306 L308 F313 W314S56-N310 PolarHBondContact O-ND2 3.14Å; S56-N310 PolarHBondContact OG-OD1 3.31Å; S59-N310 PolarHBondContact OG-ND2 3.29Å; W306-N310 WeakPolarHBondContact O-CB 3.47Å; W306-N310 PolarHBondContact O-N 2.95Å; L308-N310 VanDerWaalsContact C-N 3.34Å; L308-N310 PolarHBondContact O-N 3.26Å; N310-F313 WeakPolarHBondContact O-CB 3.34Å; N310-F313 PolarHBondContact O-N 3.06Å; N310-W314 VanDerWaalsContact O-CD1 3.24Å; N310-W314 PolarHBondContact O-N 2.94Å; N310-W314 VanDerWaalsContact O-N 3.08Å; N310-W314 PolarHBondContact OD1-NE1 3.27Å
311F98.6Very high97.2Very high29 Ų2960 Ų6013%0.12732%0.316CS..Hα-helixtrans-63.2-44.2175.5179.4-100000112.1I17 V20 Q60 M63 T307 L308 F313 W314 A315I17-F311 HydrophobicContact CG1-CZ 4.19Å; I17-F311 HydrophobicContact CG2-CE2 4.5Å; V20-F311 HydrophobicContact CB-CE2 4.19Å; V20-F311 HydrophobicContact CG1-CD2 4.15Å; V20-F311 HydrophobicContact CG1-CE2 3.8Å; Q60-F311 HydrophobicContact CB-CD2 4.49Å; Q60-F311 HydrophobicContact CG-CD2 4.3Å; M63-F311 HydrophobicContact CB-CB 4.43Å; M63-F311 HydrophobicContact CE-CB 3.87Å; M63-F311 HydrophobicContact CE-CD1 3.56Å; M63-F311 HydrophobicContact CE-CD2 3.34Å; M63-F311 HydrophobicContact CE-CE1 3.87Å; M63-F311 HydrophobicContact CE-CE2 3.65Å; M63-F311 HydrophobicContact CE-CG 3.28Å; M63-F311 HydrophobicContact CE-CZ 3.91Å; M63-F311 HydrophobicContact CG-CB 3.9Å; M63-F311 HydrophobicContact CG-CG 4.31Å; M63-F311 HydrophobicContact SD-CB 4.38Å; M63-F311 HydrophobicContact SD-CD1 4.07Å; M63-F311 HydrophobicContact SD-CG 4.14Å; T307-F311 PolarHBondContact O-N 3.14Å; T307-F311 VanDerWaalsContact O-N 3.12Å; L308-F311 PolarHBondContact O-N 3.39Å; F311-F313 VanDerWaalsContact C-N 3.3Å; F311-F313 PolarHBondContact O-N 3.06Å; F311-W314 PolarHBondContact O-N 2.96Å; F311-A315 HydrophobicContact CE1-CB 4.26Å; F311-A315 WeakPolarHBondContact O-CB 3.33Å; F311-A315 PolarHBondContact O-N 2.92Å
312L98.6Very high97.2Very high86 Ų8661.8 Ų61.845%0.4532%0.324SS..Hα-helixtrans-62.3-37.7177.6-70.4175.3000112L308 L309 T316L308-L312 HydrophobicContact CD1-CD1 4.2Å; L308-L312 HydrophobicContact CD1-CG 4.17Å; L308-L312 HydrophobicContact CG-CD1 4.01Å; L308-L312 HydrophobicContact CG-CG 4.39Å; L308-L312 VanDerWaalsContact O-CG 3.32Å; L308-L312 WeakPolarHBondContact O-CG 3.49Å; L308-L312 PolarHBondContact O-N 2.98Å; L309-L312 PolarHBondContact O-N 3.46Å; L312-T316 WeakPolarHBondContact O-CB 3.35Å; L312-T316 PolarHBondContact O-N 3.23Å; L312-T316 PolarHBondContact O-OG1 3.03Å
313F98.7Very high97.2Very high117 Ų11762.2 Ų62.251%0.51332%0.315SS..Hα-helixtrans-59.2-55.4172.7169.6-98.5000111.3L309 N310 F311 A315 T316 V317L309-F313 WeakPolarHBondContact O-CB 3.33Å; L309-F313 PolarHBondContact O-N 3.4Å; N310-F313 WeakPolarHBondContact O-CB 3.34Å; N310-F313 PolarHBondContact O-N 3.06Å; F311-F313 VanDerWaalsContact C-N 3.3Å; F311-F313 PolarHBondContact O-N 3.06Å; F313-A315 PolarHBondContact O-N 3.21Å; F313-T316 PolarHBondContact O-N 3.48Å; F313-V317 HydrophobicContact CD2-CG2 4.29Å; F313-V317 HydrophobicContact CE1-CG2 4.38Å; F313-V317 HydrophobicContact CE2-CG2 3.89Å; F313-V317 HydrophobicContact CZ-CG2 3.95Å; F313-V317 WeakPolarHBondContact O-CG2 3.45Å; F313-V317 PolarHBondContact O-N 3.17Å
314W98.6Very high97.2Very high26 Ų2662.9 Ų62.910%0.09833%0.329CS..Hα-helixtrans-62.6-41.2179.2-76.8112.9000112.6V20 S24 I27 I28 S56 N310 F311 T316 V317 L318V20-W314 HydrophobicContact CG1-CB 3.83Å; S24-W314 VanDerWaalsContact CB-CD2 3.45Å; S24-W314 VanDerWaalsContact CB-CE3 3.49Å; I27-W314 HydrophobicContact CB-CH2 4.5Å; I27-W314 HydrophobicContact CD1-CZ3 4.15Å; I27-W314 HydrophobicContact CG2-CH2 4.05Å; I27-W314 HydrophobicContact CG2-CZ3 4.36Å; I28-W314 HydrophobicContact CD1-CZ2 4.03Å; I28-W314 HydrophobicContact CG1-CH2 4.42Å; I28-W314 HydrophobicContact CG1-CZ2 3.99Å; S56-W314 PolarHBondContact OG-NE1 3.23Å; N310-W314 VanDerWaalsContact O-CD1 3.24Å; N310-W314 PolarHBondContact O-N 2.94Å; N310-W314 VanDerWaalsContact O-N 3.08Å; N310-W314 PolarHBondContact OD1-NE1 3.27Å; F311-W314 PolarHBondContact O-N 2.96Å; W314-T316 VanDerWaalsContact C-N 3.33Å; W314-T316 PolarHBondContact O-N 3.41Å; W314-V317 PolarHBondContact O-N 2.74Å; W314-L318 HydrophobicContact CE3-CD1 4.06Å; W314-L318 HydrophobicContact CE3-CG 4.32Å; W314-L318 VanDerWaalsContact O-CB 3.25Å; W314-L318 WeakPolarHBondContact O-CB 3.33Å; W314-L318 VanDerWaalsContact O-CG 3.23Å; W314-L318 WeakPolarHBondContact O-CG 3.29Å; W314-L318 PolarHBondContact O-N 3.38Å
315A98.3Very high97Very high15 Ų1565.5 Ų65.512%0.12434%0.343CS..Hα-helixtrans-61-42.7176.300000111.2V20 F311 F313 L319V20-A315 HydrophobicContact CG2-CB 4.21Å; F311-A315 HydrophobicContact CE1-CB 4.26Å; F311-A315 WeakPolarHBondContact O-CB 3.33Å; F311-A315 PolarHBondContact O-N 2.92Å; F313-A315 PolarHBondContact O-N 3.21Å; A315-L319 HydrophobicContact CB-CD1 4.21Å; A315-L319 WeakPolarHBondContact O-CA 3.41Å; A315-L319 WeakPolarHBondContact O-CB 3.15Å; A315-L319 WeakPolarHBondContact O-CG 3.36Å; A315-L319 PolarHBondContact O-N 3.08Å
316T98.3Very high96.8Very high84 Ų8463 Ų6352%0.51533%0.328SS..Hα-helixtrans-64.1-53.1177.1-56.50000110.7L312 F313 W314 L318 S320L312-T316 WeakPolarHBondContact O-CB 3.35Å; L312-T316 PolarHBondContact O-N 3.23Å; L312-T316 PolarHBondContact O-OG1 3.03Å; F313-T316 PolarHBondContact O-N 3.48Å; W314-T316 VanDerWaalsContact C-N 3.33Å; W314-T316 PolarHBondContact O-N 3.41Å; T316-L318 VanDerWaalsContact C-N 3.27Å; T316-L318 PolarHBondContact O-N 3.36Å; T316-S320 WeakPolarHBondContact O-CB 3.5Å; T316-S320 PolarHBondContact O-N 3.5Å; T316-S320 VanDerWaalsContact O-N 3.13Å; T316-S320 PolarHBondContact O-OG 2.88Å
317V98.1Very high96.5Very high72 Ų7264.2 Ų64.244%0.43634%0.337SS..Hα-helixtrans-58.8-39.2-177.7171.40000112.1F313 W314 P321F313-V317 HydrophobicContact CD2-CG2 4.29Å; F313-V317 HydrophobicContact CE1-CG2 4.38Å; F313-V317 HydrophobicContact CE2-CG2 3.89Å; F313-V317 HydrophobicContact CZ-CG2 3.95Å; F313-V317 WeakPolarHBondContact O-CG2 3.45Å; F313-V317 PolarHBondContact O-N 3.17Å; W314-V317 PolarHBondContact O-N 2.74Å; V317-P321 WeakPolarHBondContact O-CD 3.18Å; V317-P321 WeakPolarHBondContact O-CG 3.43Å
318L97.8Very high96.3Very high19 Ų1966 Ų6610%0.09936%0.355CS..Hα-helixtrans-93-35.5-172.6-61.5176.7000113.6F19 V20 V23 I27 W314 T316F19-L318 HydrophobicContact CE1-CB 4.09Å; V20-L318 HydrophobicContact CG1-CD1 4.44Å; V23-L318 HydrophobicContact CB-CD1 4.11Å; V23-L318 HydrophobicContact CG1-CD1 4.18Å; V23-L318 HydrophobicContact CG1-CD2 3.79Å; I27-L318 HydrophobicContact CD1-CD2 4.02Å; W314-L318 HydrophobicContact CE3-CD1 4.06Å; W314-L318 HydrophobicContact CE3-CG 4.32Å; W314-L318 VanDerWaalsContact O-CB 3.25Å; W314-L318 WeakPolarHBondContact O-CB 3.33Å; W314-L318 VanDerWaalsContact O-CG 3.23Å; W314-L318 WeakPolarHBondContact O-CG 3.29Å; W314-L318 PolarHBondContact O-N 3.38Å; T316-L318 VanDerWaalsContact C-N 3.27Å; T316-L318 PolarHBondContact O-N 3.36Å
319L96.8Very high96Very high25 Ų2564.3 Ų64.313%0.13135%0.347CS..Hα-helixtrans-86.2-29.5-176.7-56.9-178.3000112.7L16 F19 V20 A315 L322 F323L16-L319 HydrophobicContact CD2-CD2 3.89Å; F19-L319 HydrophobicContact CD1-CD2 3.75Å; F19-L319 HydrophobicContact CE1-CD2 4.09Å; V20-L319 HydrophobicContact CG2-CD1 4.04Å; V20-L319 HydrophobicContact CG2-CD2 3.87Å; V20-L319 HydrophobicContact CG2-CG 3.84Å; A315-L319 HydrophobicContact CB-CD1 4.21Å; A315-L319 WeakPolarHBondContact O-CA 3.41Å; A315-L319 WeakPolarHBondContact O-CB 3.15Å; A315-L319 WeakPolarHBondContact O-CG 3.36Å; A315-L319 PolarHBondContact O-N 3.08Å; L319-L322 HydrophobicContact CD2-CD2 4.05Å; L319-L322 PolarHBondContact O-N 3.5Å; L319-F323 HydrophobicContact CB-CD2 3.97Å; L319-F323 HydrophobicContact CB-CE2 3.65Å; L319-F323 HydrophobicContact CB-CZ 4.31Å; L319-F323 HydrophobicContact CD1-CE2 4.28Å; L319-F323 HydrophobicContact CD1-CZ 4.47Å; L319-F323 WeakPolarHBondContact O-CB 3.48Å; L319-F323 WeakPolarHBondContact O-CD2 3.36Å; L319-F323 WeakPolarHBondContact O-CG 3.44Å; L319-F323 PolarHBondContact O-N 3.36Å
320S96.5Very high95.7Very high60 Ų6064.7 Ų64.742%0.4235%0.345SS..Hα-helixtrans-56.1-51.9176.3-69.90000113.7T316 L322 F323 T324T316-S320 WeakPolarHBondContact O-CB 3.5Å; T316-S320 PolarHBondContact O-N 3.5Å; T316-S320 VanDerWaalsContact O-N 3.13Å; T316-S320 PolarHBondContact O-OG 2.88Å; S320-L322 VanDerWaalsContact C-N 3.34Å; S320-L322 PolarHBondContact O-N 3.49Å; S320-F323 PolarHBondContact O-N 2.97Å; S320-T324 WeakPolarHBondContact O-CB 3.39Å; S320-T324 PolarHBondContact O-N 2.64Å; S320-T324 PolarHBondContact O-OG1 2.77Å
321P95.2Very high95.5Very high77 Ų7766.5 Ų66.550%0.536%0.364SS..Hα-helixtrans-66.8-35.317625.5-33.8000112.3V317 T324 F325V317-P321 WeakPolarHBondContact O-CD 3.18Å; V317-P321 WeakPolarHBondContact O-CG 3.43Å; P321-T324 PolarHBondContact O-N 2.94Å; P321-F325 WeakPolarHBondContact O-CB 3.31Å; P321-F325 PolarHBondContact O-N 2.84Å
322L92.9Very high95.3Very high58 Ų5868 Ų6830%0.30438%0.378SS..Hα-helixtrans-62.3-45.9177.4-178.365.9000111.8L16 F19 L319 S320 F325 G326L16-L322 HydrophobicContact CD2-CD2 4.21Å; F19-L322 HydrophobicContact CD1-CD2 4.17Å; F19-L322 HydrophobicContact CE1-CD2 3.91Å; F19-L322 HydrophobicContact CZ-CD2 4.15Å; L319-L322 HydrophobicContact CD2-CD2 4.05Å; L319-L322 PolarHBondContact O-N 3.5Å; S320-L322 VanDerWaalsContact C-N 3.34Å; S320-L322 PolarHBondContact O-N 3.49Å; L322-F325 PolarHBondContact O-N 3.26Å; L322-G326 PolarHBondContact O-N 3.48Å
323F94.3Very high94.9Very high117 Ų11766.5 Ų66.551%0.51338%0.384SS..Hα-helixtrans-69.7-37.4176.8-68.5-42.2000112.2L16 L319 S320 F325 G326 F327L16-F323 HydrophobicContact CD1-CE1 4.4Å; L16-F323 HydrophobicContact CD1-CZ 4.05Å; L16-F323 HydrophobicContact CD2-CE1 4.29Å; L16-F323 HydrophobicContact CD2-CZ 4.29Å; L319-F323 HydrophobicContact CB-CD2 3.97Å; L319-F323 HydrophobicContact CB-CE2 3.65Å; L319-F323 HydrophobicContact CB-CZ 4.31Å; L319-F323 HydrophobicContact CD1-CE2 4.28Å; L319-F323 HydrophobicContact CD1-CZ 4.47Å; L319-F323 WeakPolarHBondContact O-CB 3.48Å; L319-F323 WeakPolarHBondContact O-CD2 3.36Å; L319-F323 WeakPolarHBondContact O-CG 3.44Å; L319-F323 PolarHBondContact O-N 3.36Å; S320-F323 PolarHBondContact O-N 2.97Å; F323-F325 VanDerWaalsContact C-N 3.33Å; F323-F325 PolarHBondContact O-N 3.21Å; F323-G326 PolarHBondContact O-N 2.82Å; F323-F327 WeakPolarHBondContact O-CB 3.48Å; F323-F327 PolarHBondContact O-N 3.46Å
324T94.4Very high94.8Very high101 Ų10162.8 Ų62.862%0.6237%0.372SS*.Hα-helixtrans-61.6-44.3174.9-56.40000110.8S320 P321 G328S320-T324 WeakPolarHBondContact O-CB 3.39Å; S320-T324 PolarHBondContact O-N 2.64Å; S320-T324 PolarHBondContact O-OG1 2.77Å; P321-T324 PolarHBondContact O-N 2.94Å; T324-G328 PolarHBondContact O-N 3.1Å
325F92.1Very high94.5Very high129 Ų12966 Ų6657%0.56640%0.396SS*.Hα-helixtrans-61.7-49.6174.5174.8-100.8000111.7P321 L322 F323 F327 G328 V329 F341P321-F325 WeakPolarHBondContact O-CB 3.31Å; P321-F325 PolarHBondContact O-N 2.84Å; L322-F325 PolarHBondContact O-N 3.26Å; F323-F325 VanDerWaalsContact C-N 3.33Å; F323-F325 PolarHBondContact O-N 3.21Å; F325-F327 PolarHBondContact O-N 3.32Å; F325-G328 PolarHBondContact O-N 2.92Å; F325-V329 HydrophobicContact CE1-CG2 4.07Å; F325-V329 HydrophobicContact CE2-CG2 4.29Å; F325-V329 HydrophobicContact CZ-CG2 3.95Å; F325-V329 WeakPolarHBondContact O-CG2 3.14Å; F325-V329 PolarHBondContact O-N 3.21Å; F325-F341 HydrophobicContact CD1-CE2 4.3Å; F325-F341 HydrophobicContact CE1-CD2 4.03Å; F325-F341 HydrophobicContact CE1-CE2 4.05Å
326G91.3Very high94.4Very high9 Ų971.7 Ų71.79%0.09342%0.424CS..Hα-helixtrans-57.1-48.2177.500000112.1L322 F323 G328 V329 F330L322-G326 PolarHBondContact O-N 3.48Å; F323-G326 PolarHBondContact O-N 2.82Å; G326-G328 VanDerWaalsContact C-N 3.35Å; G326-G328 PolarHBondContact O-N 3.29Å; G326-V329 WeakPolarHBondContact O-CB 3.43Å; G326-V329 PolarHBondContact O-N 3.42Å; G326-F330 WeakPolarHBondContact O-CD2 3.45Å; G326-F330 PolarHBondContact O-N 3Å
327F92.8Very high94Very high155 Ų15572 Ų7268%0.6842%0.422SS*.Hα-helixtrans-60.1-43.8175.8-179.1-98.2000111.8F323 F325 V329 F330 A331F323-F327 WeakPolarHBondContact O-CB 3.48Å; F323-F327 PolarHBondContact O-N 3.46Å; F325-F327 PolarHBondContact O-N 3.32Å; F327-V329 VanDerWaalsContact C-N 3.3Å; F327-V329 PolarHBondContact O-N 2.93Å; F327-F330 PolarHBondContact O-N 3.37Å; F327-A331 HydrophobicContact CD1-CB 4.3Å; F327-A331 HydrophobicContact CE1-CB 4Å; F327-A331 HydrophobicContact CZ-CB 4.33Å; F327-A331 VanDerWaalsContact O-CB 3.23Å; F327-A331 WeakPolarHBondContact O-CB 3.23Å; F327-A331 PolarHBondContact O-N 2.94Å
328G93.3Very high93.8Very high36 Ų3670.3 Ų70.337%0.37141%0.41SS..Hα-helixtrans-58.4-39.4176.100000113.2T324 F325 G326 A331 S332T324-G328 PolarHBondContact O-N 3.1Å; F325-G328 PolarHBondContact O-N 2.92Å; G326-G328 VanDerWaalsContact C-N 3.35Å; G326-G328 PolarHBondContact O-N 3.29Å; G328-A331 PolarHBondContact O-N 3.49Å; G328-S332 WeakPolarHBondContact O-CB 3.36Å; G328-S332 PolarHBondContact O-N 3.2Å
329V92.4Very high93.5Very high16 Ų1675.1 Ų75.110%0.09744%0.435CS..Hα-helixtrans-61.1-48174.4170.70000111.1F325 G326 F327 S332 L337 I338 F341F325-V329 HydrophobicContact CE1-CG2 4.07Å; F325-V329 HydrophobicContact CE2-CG2 4.29Å; F325-V329 HydrophobicContact CZ-CG2 3.95Å; F325-V329 WeakPolarHBondContact O-CG2 3.14Å; F325-V329 PolarHBondContact O-N 3.21Å; G326-V329 WeakPolarHBondContact O-CB 3.43Å; G326-V329 PolarHBondContact O-N 3.42Å; F327-V329 VanDerWaalsContact C-N 3.3Å; F327-V329 PolarHBondContact O-N 2.93Å; V329-S332 WeakPolarHBondContact O-CB 3.32Å; V329-S332 PolarHBondContact O-N 2.86Å; V329-S332 PolarHBondContact O-OG 3.45Å; V329-L337 HydrophobicContact CG1-CB 4.15Å; V329-I338 HydrophobicContact CG1-CG1 4.19Å; V329-F341 HydrophobicContact CG1-CB 3.81Å; V329-F341 HydrophobicContact CG1-CG 4.21Å
330F92.2Very high93.2Very high98 Ų9876.8 Ų76.843%0.4345%0.452SS..Hα-helixtrans-68.8-41.6178.6-71.6-74000112.5G326 F327 S332 G333 I338 F341 L342G326-F330 WeakPolarHBondContact O-CD2 3.45Å; G326-F330 PolarHBondContact O-N 3Å; F327-F330 PolarHBondContact O-N 3.37Å; F330-S332 PolarHBondContact O-N 3.28Å; F330-G333 PolarHBondContact O-N 3.47Å; F330-G333 VanDerWaalsContact O-N 3.17Å; F330-I338 HydrophobicContact CD1-CD1 4.3Å; F330-I338 HydrophobicContact CD1-CG1 4.03Å; F330-I338 HydrophobicContact CD1-CG2 4.07Å; F330-I338 HydrophobicContact CE1-CG1 4.49Å; F330-I338 HydrophobicContact CE1-CG2 3.75Å; F330-F341 HydrophobicContact CE2-CD1 4.04Å; F330-F341 AromaticContact CE2-CE1 3.88Å; F330-F341 HydrophobicContact CE2-CE1 3.88Å; F330-F341 HydrophobicContact CZ-CD1 4.15Å; F330-F341 HydrophobicContact CZ-CE1 4.3Å; F330-L342 HydrophobicContact CZ-CD2 4.11Å
331A94.3Very high92.9Very high67 Ų6776 Ų7655%0.55444%0.442SS*.Hα-helixtrans-65.7-23.7178.700000112.8F327 G328 G333F327-A331 HydrophobicContact CD1-CB 4.3Å; F327-A331 HydrophobicContact CE1-CB 4Å; F327-A331 HydrophobicContact CZ-CB 4.33Å; F327-A331 VanDerWaalsContact O-CB 3.23Å; F327-A331 WeakPolarHBondContact O-CB 3.23Å; F327-A331 PolarHBondContact O-N 2.94Å; G328-A331 PolarHBondContact O-N 3.49Å; A331-G333 PolarHBondContact O-N 3.43Å
332S93.6Very high92.6Very high60 Ų6076.6 Ų76.642%0.4244%0.44SS..THydrogen-bonded Turntrans-61.6-21.4174.578.30000113.4G328 V329 F330 S334G328-S332 WeakPolarHBondContact O-CB 3.36Å; G328-S332 PolarHBondContact O-N 3.2Å; V329-S332 WeakPolarHBondContact O-CB 3.32Å; V329-S332 PolarHBondContact O-N 2.86Å; V329-S332 PolarHBondContact O-OG 3.45Å; F330-S332 PolarHBondContact O-N 3.28Å; S332-S334 PolarHBondContact O-N 2.89Å; S332-S334 PolarHBondContact OG-N 3.32Å
333G92Very high92.4Very high56 Ų5675.9 Ų75.958%0.57745%0.447SS*.  trans64.90.9-17500000114.5F330 A331 P335F330-G333 PolarHBondContact O-N 3.47Å; F330-G333 VanDerWaalsContact O-N 3.17Å; A331-G333 PolarHBondContact O-N 3.43Å; G333-P335 WeakPolarHBondContact O-CD 3.23Å
334S95.5Very high92.1Very high39 Ų3977.1 Ų77.127%0.27345%0.452SS..  trans-75.2113.2-178.1175.60000110.4S332 L336 L337 I338S332-S334 PolarHBondContact O-N 2.89Å; S332-S334 PolarHBondContact OG-N 3.32Å; S334-L336 PolarHBondContact O-N 2.84Å; S334-L337 PolarHBondContact O-N 3.02Å; S334-L337 PolarHBondContact OG-N 3.3Å; S334-I338 WeakPolarHBondContact O-CG1 3.45Å; S334-I338 PolarHBondContact O-N 3.35Å; S334-I338 VanDerWaalsContact O-N 3.09Å
335P93.5Very high91.6Very high92 Ų9274.8 Ų74.860%0.59744%0.438SS*.Hα-helixtrans-60.7-34.2-179.8-23.535.6000112G333 L339G333-P335 WeakPolarHBondContact O-CD 3.23Å; P335-L339 VanDerWaalsContact O-CB 3.29Å; P335-L339 WeakPolarHBondContact O-CB 3.38Å; P335-L339 WeakPolarHBondContact O-CG 3.49Å; P335-L339 PolarHBondContact O-N 3.43Å
336L94.6Very high91.2Very high135 Ų13570.5 Ų70.571%0.70743%0.43SS*.Hα-helixtrans-64.7-47178.6-177.865.1000111.9S334 L339 A340S334-L336 PolarHBondContact O-N 2.84Å; L336-L339 PolarHBondContact O-N 2.84Å; L336-A340 VanDerWaalsContact O-CB 3.24Å; L336-A340 WeakPolarHBondContact O-CB 3.48Å; L336-A340 PolarHBondContact O-N 3.24Å
337L91.6Very high90.9Very high91 Ų9173.1 Ų73.148%0.47645%0.45SS..Hα-helixtrans-66.8-40.2180-68.4177.9000111.5V329 S334 A340 F341V329-L337 HydrophobicContact CG1-CB 4.15Å; S334-L337 PolarHBondContact O-N 3.02Å; S334-L337 PolarHBondContact OG-N 3.3Å; L337-A340 PolarHBondContact O-N 2.88Å; L337-F341 VanDerWaalsContact O-CB 3.31Å; L337-F341 WeakPolarHBondContact O-CB 3.48Å; L337-F341 PolarHBondContact O-N 3.18Å
338I92Very high90.2Very high37 Ų3768 Ų6819%0.1944%0.437CS..Hα-helixtrans-64.2-48.6177.3-68.4164.6000110.6V329 F330 S334 A340 F341 L342V329-I338 HydrophobicContact CG1-CG1 4.19Å; F330-I338 HydrophobicContact CD1-CD1 4.3Å; F330-I338 HydrophobicContact CD1-CG1 4.03Å; F330-I338 HydrophobicContact CD1-CG2 4.07Å; F330-I338 HydrophobicContact CE1-CG1 4.49Å; F330-I338 HydrophobicContact CE1-CG2 3.75Å; S334-I338 WeakPolarHBondContact O-CG1 3.45Å; S334-I338 PolarHBondContact O-N 3.35Å; S334-I338 VanDerWaalsContact O-N 3.09Å; I338-A340 PolarHBondContact O-N 2.93Å; I338-F341 PolarHBondContact O-N 2.78Å; I338-L342 HydrophobicContact CG2-CD1 3.89Å; I338-L342 HydrophobicContact CG2-CG 4.39Å; I338-L342 WeakPolarHBondContact O-CB 3.34Å; I338-L342 VanDerWaalsContact O-CG 3.3Å; I338-L342 WeakPolarHBondContact O-CG 3.43Å; I338-L342 PolarHBondContact O-N 2.83Å
339L92.3Very high89.4Confident120 Ų12067.4 Ų67.463%0.62843%0.427SS*.Hα-helixtrans-64-39.9178.4-72.2172.4000111.9P335 L336 G343P335-L339 VanDerWaalsContact O-CB 3.29Å; P335-L339 WeakPolarHBondContact O-CB 3.38Å; P335-L339 WeakPolarHBondContact O-CG 3.49Å; P335-L339 PolarHBondContact O-N 3.43Å; L336-L339 PolarHBondContact O-N 2.84Å; L339-G343 PolarHBondContact O-N 2.96Å
340A90.9Very high88.7Confident59 Ų5972.8 Ų72.849%0.48845%0.449SS..Hα-helixtrans-63.3-44.4175.500000111.8L336 L337 I338 G343 F344L336-A340 VanDerWaalsContact O-CB 3.24Å; L336-A340 WeakPolarHBondContact O-CB 3.48Å; L336-A340 PolarHBondContact O-N 3.24Å; L337-A340 PolarHBondContact O-N 2.88Å; I338-A340 PolarHBondContact O-N 2.93Å; A340-G343 PolarHBondContact O-N 2.9Å; A340-F344 WeakPolarHBondContact O-CB 3.31Å; A340-F344 PolarHBondContact O-N 3.45Å
341F89.5Confident88Confident44 Ų4469.5 Ų69.519%0.19344%0.443CS..Hα-helixtrans-64.9-46.9177.6177.7-104.5000112.1F325 V329 F330 L337 I338 G343 F344 V345F325-F341 HydrophobicContact CD1-CE2 4.3Å; F325-F341 HydrophobicContact CE1-CD2 4.03Å; F325-F341 HydrophobicContact CE1-CE2 4.05Å; V329-F341 HydrophobicContact CG1-CB 3.81Å; V329-F341 HydrophobicContact CG1-CG 4.21Å; F330-F341 HydrophobicContact CE2-CD1 4.04Å; F330-F341 AromaticContact CE2-CE1 3.88Å; F330-F341 HydrophobicContact CE2-CE1 3.88Å; F330-F341 HydrophobicContact CZ-CD1 4.15Å; F330-F341 HydrophobicContact CZ-CE1 4.3Å; L337-F341 VanDerWaalsContact O-CB 3.31Å; L337-F341 WeakPolarHBondContact O-CB 3.48Å; L337-F341 PolarHBondContact O-N 3.18Å; I338-F341 PolarHBondContact O-N 2.78Å; F341-G343 VanDerWaalsContact C-N 3.31Å; F341-G343 PolarHBondContact O-N 3.19Å; F341-F344 PolarHBondContact O-N 3.37Å; F341-V345 HydrophobicContact CD1-CG2 4.43Å; F341-V345 HydrophobicContact CD2-CG2 4.42Å; F341-V345 HydrophobicContact CE1-CG2 4.03Å; F341-V345 HydrophobicContact CE2-CG2 4.03Å; F341-V345 HydrophobicContact CZ-CG2 3.82Å; F341-V345 WeakPolarHBondContact O-CG2 3.33Å; F341-V345 PolarHBondContact O-N 3.43Å
342L89.1Confident87Confident89 Ų8969 Ų6947%0.46643%0.433SS..Hα-helixtrans-62.1-39.9175.6-70.3175.9000111.7F330 I338 V345 G346F330-L342 HydrophobicContact CZ-CD2 4.11Å; I338-L342 HydrophobicContact CG2-CD1 3.89Å; I338-L342 HydrophobicContact CG2-CG 4.39Å; I338-L342 WeakPolarHBondContact O-CB 3.34Å; I338-L342 VanDerWaalsContact O-CG 3.3Å; I338-L342 WeakPolarHBondContact O-CG 3.43Å; I338-L342 PolarHBondContact O-N 2.83Å; L342-V345 PolarHBondContact O-N 3.45Å; L342-G346 PolarHBondContact O-N 3.34Å
343G89.3Confident86Confident43 Ų4372.9 Ų72.944%0.44344%0.438SS..Hα-helixtrans-61.1-45.5173.800000112.3L339 A340 F341 G346 A347L339-G343 PolarHBondContact O-N 2.96Å; A340-G343 PolarHBondContact O-N 2.9Å; F341-G343 VanDerWaalsContact C-N 3.31Å; F341-G343 PolarHBondContact O-N 3.19Å; G343-G346 PolarHBondContact O-N 3.05Å; G343-A347 WeakPolarHBondContact O-CB 3.13Å; G343-A347 PolarHBondContact O-N 3.08Å
344F87.1Confident84.9Confident144 Ų14478.2 Ų78.263%0.63244%0.441SS*.Hα-helixtrans-62.3-48.8176.1175.9-98000112.2A340 F341 G346 A347 A348A340-F344 WeakPolarHBondContact O-CB 3.31Å; A340-F344 PolarHBondContact O-N 3.45Å; F341-F344 PolarHBondContact O-N 3.37Å; F344-G346 VanDerWaalsContact C-N 3.31Å; F344-G346 PolarHBondContact O-N 3.19Å; F344-A347 PolarHBondContact O-N 3.23Å; F344-A348 WeakPolarHBondContact O-CB 3.36Å; F344-A348 PolarHBondContact O-N 3.35Å
345V84.4Confident83.3Confident52 Ų5282.1 Ų82.132%0.31546%0.458SS..Hα-helixtrans-61.7-41.1177.2173.10000110.8F341 L342 S349F341-V345 HydrophobicContact CD1-CG2 4.43Å; F341-V345 HydrophobicContact CD2-CG2 4.42Å; F341-V345 HydrophobicContact CE1-CG2 4.03Å; F341-V345 HydrophobicContact CE2-CG2 4.03Å; F341-V345 HydrophobicContact CZ-CG2 3.82Å; F341-V345 WeakPolarHBondContact O-CG2 3.33Å; F341-V345 PolarHBondContact O-N 3.43Å; L342-V345 PolarHBondContact O-N 3.45Å; V345-S349 WeakPolarHBondContact O-CB 3.24Å; V345-S349 PolarHBondContact O-N 2.97Å
346G84.6Confident81.8Confident39 Ų3980.9 Ų80.940%0.40245%0.446SS..Hα-helixtrans-61.5-46.317500000112.6L342 G343 F344 S349 F350L342-G346 PolarHBondContact O-N 3.34Å; G343-G346 PolarHBondContact O-N 3.05Å; F344-G346 VanDerWaalsContact C-N 3.31Å; F344-G346 PolarHBondContact O-N 3.19Å; G346-S349 PolarHBondContact O-N 3.23Å; G346-F350 WeakPolarHBondContact O-CB 3.36Å; G346-F350 PolarHBondContact O-N 2.98Å
347A83.5Confident79.6Confident63 Ų6376.2 Ų76.252%0.52143%0.43SS..Hα-helixtrans-65.3-43.6177.500000112.1G343 F344 F350 G351G343-A347 WeakPolarHBondContact O-CB 3.13Å; G343-A347 PolarHBondContact O-N 3.08Å; F344-A347 PolarHBondContact O-N 3.23Å; A347-F350 PolarHBondContact O-N 2.84Å; A347-G351 PolarHBondContact O-N 3.07Å
348A77.9Confident77.5Confident47 Ų4776.8 Ų76.839%0.38844%0.437SS..Hα-helixtrans-62.1-46.4175.700000111.3F344 F350 G351 V352F344-A348 WeakPolarHBondContact O-CB 3.36Å; F344-A348 PolarHBondContact O-N 3.35Å; A348-F350 PolarHBondContact O-N 3.03Å; A348-G351 PolarHBondContact O-N 3.44Å; A348-V352 WeakPolarHBondContact O-CG2 3.49Å; A348-V352 PolarHBondContact O-N 2.91Å
349S76.8Confident75.1Confident24 Ų2480.3 Ų80.317%0.16846%0.461CS..Hα-helixtrans-57.3-46.7174.5174.80000111.8F11 V345 G346 R353F11-S349 VanDerWaalsContact CE1-OG 3.23Å; F11-S349 WeakPolarHBondContact CE1-OG 3.36Å; V345-S349 WeakPolarHBondContact O-CB 3.24Å; V345-S349 PolarHBondContact O-N 2.97Å; G346-S349 PolarHBondContact O-N 3.23Å; S349-R353 WeakPolarHBondContact O-CG 3.45Å; S349-R353 PolarHBondContact O-N 3.25Å
350F79Confident72.7Confident129 Ų12980.8 Ų80.857%0.56646%0.46SS*.Hα-helixtrans-63.5-45.7176.9179.4-98.8000112.3G346 A347 A348 V352 R353 R354G346-F350 WeakPolarHBondContact O-CB 3.36Å; G346-F350 PolarHBondContact O-N 2.98Å; A347-F350 PolarHBondContact O-N 2.84Å; A348-F350 PolarHBondContact O-N 3.03Å; F350-V352 PolarHBondContact O-N 3.33Å; F350-R353 PolarHBondContact O-N 3.44Å; F350-R354 WeakPolarHBondContact O-CB 3.39Å; F350-R354 PolarHBondContact O-N 3.21Å
351G76.2Confident70.2Confident29 Ų2983.7 Ų83.730%0.29947%0.466SS..Hα-helixtrans-58.8-46.9177.500000112.1A347 A348 R354 L355A347-G351 PolarHBondContact O-N 3.07Å; A348-G351 PolarHBondContact O-N 3.44Å; G351-R354 PolarHBondContact O-N 3.16Å; G351-L355 WeakPolarHBondContact O-CG 3.39Å; G351-L355 PolarHBondContact O-N 3.38Å
352V73Confident67.6Low56 Ų5690.5 Ų90.534%0.33950%0.498SS..Hα-helixtrans-62.6-45176.9172.20000111.4F11 L15 A348 F350 R354 L355 I356F11-V352 HydrophobicContact CZ-CG1 4.27Å; L15-V352 HydrophobicContact CD2-CB 4.2Å; L15-V352 HydrophobicContact CD2-CG1 3.93Å; L15-V352 HydrophobicContact CD2-CG2 4.25Å; A348-V352 WeakPolarHBondContact O-CG2 3.49Å; A348-V352 PolarHBondContact O-N 2.91Å; F350-V352 PolarHBondContact O-N 3.33Å; V352-R354 VanDerWaalsContact C-N 3.3Å; V352-R354 PolarHBondContact O-N 3.48Å; V352-L355 PolarHBondContact O-N 2.9Å; V352-I356 HydrophobicContact CG1-CD1 3.91Å; V352-I356 WeakPolarHBondContact O-CG1 3.3Å; V352-I356 PolarHBondContact O-N 2.9Å
353R72.4Confident65.3Low142 Ų14296.2 Ų96.254%0.53652%0.519SS..Hα-helixtrans-60.5-40.1176.5-73.3178-177.7-159.50.4112.3F11 S349 F350 I356 G357F11-R353 HydrophobicContact CE1-CG 4.02Å; F11-R353 HydrophobicContact CE2-CG 3.87Å; F11-R353 HydrophobicContact CZ-CG 3.46Å; F11-R353 VanDerWaalsContact CZ-CG 3.46Å; S349-R353 WeakPolarHBondContact O-CG 3.45Å; S349-R353 PolarHBondContact O-N 3.25Å; F350-R353 PolarHBondContact O-N 3.44Å; R353-I356 PolarHBondContact O-N 2.87Å; R353-G357 PolarHBondContact O-N 3.39Å
354R70.4Confident63.2Low168 Ų16896.4 Ų96.463%0.63452%0.521SS*.Hα-helixtrans-67-40.4177.3-166.2179.4-179.5104-0.7111.6F350 G351 V352 G357 V358F350-R354 WeakPolarHBondContact O-CB 3.39Å; F350-R354 PolarHBondContact O-N 3.21Å; G351-R354 PolarHBondContact O-N 3.16Å; V352-R354 VanDerWaalsContact C-N 3.3Å; V352-R354 PolarHBondContact O-N 3.48Å; R354-G357 PolarHBondContact O-N 2.91Å; R354-V358 VanDerWaalsContact O-CG2 3.29Å; R354-V358 WeakPolarHBondContact O-CG2 3.45Å; R354-V358 PolarHBondContact O-N 2.84Å; R354-V358 VanDerWaalsContact O-N 3.08Å
355L61.5Low61.2Low121 Ų12191 Ų9163%0.63450%0.501SS*.Hα-helixtrans-62.5-42.7175-72.4170.6000111.6G351 V352 V358 T359G351-L355 WeakPolarHBondContact O-CG 3.39Å; G351-L355 PolarHBondContact O-N 3.38Å; V352-L355 PolarHBondContact O-N 2.9Å; L355-V358 PolarHBondContact O-N 3.38Å; L355-T359 WeakPolarHBondContact O-CG2 3.19Å; L355-T359 PolarHBondContact O-N 3.21Å; L355-T359 VanDerWaalsContact O-N 3.15Å; L355-T359 PolarHBondContact O-OG1 3.19Å
356I60.9Low59.3Low67 Ų6792.5 Ų92.534%0.34451%0.514SS..Hα-helixtrans-61.1-46.8175.7-66.6166.8000110.7V352 R353 V358 T359 E360V352-I356 HydrophobicContact CG1-CD1 3.91Å; V352-I356 WeakPolarHBondContact O-CG1 3.3Å; V352-I356 PolarHBondContact O-N 2.9Å; R353-I356 PolarHBondContact O-N 2.87Å; I356-V358 PolarHBondContact O-N 2.83Å; I356-T359 WeakPolarHBondContact CA-OG1 3.29Å; I356-T359 WeakPolarHBondContact O-CA 3.42Å; I356-T359 PolarHBondContact O-N 2.94Å; I356-T359 PolarHBondContact O-OG1 3.49Å; I356-E360 PolarHBondContact O-N 3.17Å; I356-E360 VanDerWaalsContact O-N 3.17Å
357G49.9Very low57.2Low36 Ų3697.4 Ų97.437%0.37152%0.521SS..Hα-helixtrans-62.3-26.1177.200000114.3R353 R354R353-G357 PolarHBondContact O-N 3.39Å; R354-G357 PolarHBondContact O-N 2.91Å
358V46Very low55.2Low104 Ų10496.4 Ų96.463%0.6352%0.517SS*.Hα-helixtrans-78-24.9173.21740000111.9R354 L355 I356R354-V358 VanDerWaalsContact O-CG2 3.29Å; R354-V358 WeakPolarHBondContact O-CG2 3.45Å; R354-V358 PolarHBondContact O-N 2.84Å; R354-V358 VanDerWaalsContact O-N 3.08Å; L355-V358 PolarHBondContact O-N 3.38Å; I356-V358 PolarHBondContact O-N 2.83Å
359T43.4Very low53.4Low110 Ų11097 Ų9768%0.67551%0.514SS*.Hα-helixtrans-86.7-13.6177.255.90000114.6L355 I356 I361L355-T359 WeakPolarHBondContact O-CG2 3.19Å; L355-T359 PolarHBondContact O-N 3.21Å; L355-T359 VanDerWaalsContact O-N 3.15Å; L355-T359 PolarHBondContact O-OG1 3.19Å; I356-T359 WeakPolarHBondContact CA-OG1 3.29Å; I356-T359 WeakPolarHBondContact O-CA 3.42Å; I356-T359 PolarHBondContact O-N 2.94Å; I356-T359 PolarHBondContact O-OG1 3.49Å; T359-I361 PolarHBondContact O-N 3.05Å
360E41.2Very low51.8Low131 Ų131104 Ų10461%0.61254%0.544SS*.SBendtrans-761.7179.4-78.4-178.1162.200114.4I356I356-E360 PolarHBondContact O-N 3.17Å; I356-E360 VanDerWaalsContact O-N 3.17Å
361I37.2Very low50Low120 Ų120105.6 Ų105.662%0.61555%0.553SS**SBendtrans-112.3101.6-175.4-56.2175.5000111.8T359 K363T359-I361 PolarHBondContact O-N 3.05Å; I361-K363 VanDerWaalsContact C-N 3.33Å; I361-K363 PolarHBondContact O-N 2.64Å
362E36.5Very low48.1Very low187 Ų187111 Ų11187%0.87457%0.568SS**  trans45.118.2140.9-65.8-162.5148.700122.1G364E362-G364 PolarHBondContact O-N 3.23Å
363K39.3Very low46.3Very low209 Ų209117.1 Ų117.191%0.90959%0.591SS**  trans-8559.4171.9-68.8-170.5-178.7-179.40112.7I361I361-K363 VanDerWaalsContact C-N 3.33Å; I361-K363 PolarHBondContact O-N 2.64Å
364G45.5Very low44.5Very low46 Ų46119.4 Ų119.447%0.47460%0.604SS.*  trans-64.6150.4156.900000110.5E362 S366E362-G364 PolarHBondContact O-N 3.23Å; G364-S366 PolarHBondContact O-N 3Å
365S46.5Very low42.8Very low31 Ų31120.7 Ų120.722%0.21762%0.615CS.*  trans-44.8121.3174.5178.80000111.8R146 Y367R146-S365 PolarHBondContact NH1-OG 3.18Å; R146-S365 PolarHBondContact NH2-OG 2.87Å; S365-Y367 PolarHBondContact O-N 3.3Å; S365-Y367 WeakPolarHBondContact OG-CB 3.2Å
366S43.4Very low41.5Very low84 Ų84126.7 Ų126.759%0.58764%0.64SS**  trans-668177.758.50000114.7G364 G368 N369G364-S366 PolarHBondContact O-N 3Å; S366-G368 PolarHBondContact O-N 3.48Å; S366-N369 PolarHBondContact O-N 3.45Å
367Y40Very low40.5Very low142 Ų142129.7 Ų129.756%0.55765%0.654SS**THydrogen-bonded Turntrans-77.7113.7-169.8-163.6-85000110.2S365S365-Y367 PolarHBondContact O-N 3.3Å; S365-Y367 WeakPolarHBondContact OG-CB 3.2Å
368G42.8Very low40Very low42 Ų42134.6 Ų134.643%0.43367%0.669SS.*THydrogen-bonded Turntrans101.5-11.5-177.300000114.6S366 Q370S366-G368 PolarHBondContact O-N 3.48Å; G368-Q370 PolarHBondContact O-N 3.24Å
369N39.8Very low39.7Very low59 Ų59136.3 Ų136.332%0.31667%0.671SS.*  trans-81.398.8174.3-99.61.3000110.2S366 E371 F372S366-N369 PolarHBondContact O-N 3.45Å; N369-E371 PolarHBondContact O-N 3.23Å; N369-F372 HydrophobicContact CB-CD2 4.03Å; N369-F372 PolarHBondContact O-N 3.09Å
370Q42.5Very low39.5Very low172 Ų172137.9 Ų137.980%0.80467%0.671SS**G310 helixtrans-64-20.4167.8-71-171.1-7.300112.3G368 F372 K373G368-Q370 PolarHBondContact O-N 3.24Å; Q370-F372 VanDerWaalsContact C-N 3.33Å; Q370-F372 PolarHBondContact O-N 3.48Å; Q370-K373 PolarHBondContact O-N 2.92Å
371E40.9Very low39.4Very low162 Ų162138.3 Ų138.376%0.75768%0.675SS**G310 helixtrans-68.4-26.1177.5-72.1-171.7151.900114.2N369 K373N369-E371 PolarHBondContact O-N 3.23Å; E371-K373 VanDerWaalsContact C-N 3.34Å
372F37.1Very low39.5Very low141 Ų141139.5 Ų139.562%0.61868%0.679SS**G310 helixtrans-78.2-16.6177.9-94.9-88.2000113.6N369 Q370 K374N369-F372 HydrophobicContact CB-CD2 4.03Å; N369-F372 PolarHBondContact O-N 3.09Å; Q370-F372 VanDerWaalsContact C-N 3.33Å; Q370-F372 PolarHBondContact O-N 3.48Å; F372-K374 VanDerWaalsContact C-N 3.26Å; F372-K374 PolarHBondContact O-N 3.5Å
373K35Very low39.7Very low185 Ų185136.1 Ų136.180%0.80467%0.665SS**G310 helixtrans-79-3.7177.1-84.3-170.4172.6-172.60114.2Q370 E371Q370-K373 PolarHBondContact O-N 2.92Å; E371-K373 VanDerWaalsContact C-N 3.34Å
374K33.9Very low39.8Very low190 Ų190130.5 Ų130.583%0.82665%0.646SS**G310 helixtrans-1017.8178-80.4-173.8175.1-179.80114F372F372-K374 VanDerWaalsContact C-N 3.26Å; F372-K374 PolarHBondContact O-N 3.5Å
375K34.6Very low39.3Very low195 Ų195137.6 Ų137.685%0.84866%0.66SS**  trans-130.213.5-177.7-84.9-171175.6-179.80115.3
376E34.9Very low38.6Very low248 Ų248147.3 Ų147.3100%1.15970%0.701SS**  trans-104.10153.7-73.6-179.1167.800107.4

Retrieved 376 of 376 residues in 246.3 ms (Link to these results)

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