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Bifunctional peptidase and (3S)-lysyl hydroxylase JMJD7

Bifunctional enzyme that acts both as an endopeptidase and 2-oxoglutarate-dependent monooxygenase. Endopeptidase that cleaves histones N-terminal tails at the carboxyl side of methylated arginine or lysine residues, to generate 'tailless nucleosomes', which may trigger transcription elongation. Preferentially recognizes and cleaves monomethylated and dimethylated arginine residues of histones H2, H3 and H4. After initial cleavage, continues to digest histones tails via its aminopeptidase activity. Additionally, may play a role in protein biosynthesis by modifying the translation machinery. Acts as a Fe(2+) and 2-oxoglutarate-dependent monooxygenase, catalyzing (S)-stereospecific hydroxylation at C-3 of 'Lys-22' of DRG1 and 'Lys-21' of DRG2 translation factors (TRAFAC), promoting their interaction with ribonucleic acids (RNA).

AlphaFold DB , UniProt , Accession H9FNB8, Species MACMU (Macaca mulatta, Rhesus macaque), Gene JMJD7, Length 316 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
1M78Confident94.6Very high212 Ų21289.3 Ų89.3100%1.04450%0.502SS*.  0-50.40-66.5-157.7-63.100111.9A5M1-A5 PolarHBondContact O-N 3.18Å; M1-A5 VanDerWaalsContact O-N 3.08Å
2A91.4Very high94.9Very high84 Ų8490.3 Ų90.369%0.69450%0.499SS*.Hα-helixtrans-61.8-44.4179.200000114.1A5 L6A2-A5 PolarHBondContact O-N 3.45Å; A2-L6 PolarHBondContact O-N 3.12Å
3E93.1Very high95.2Very high149 Ų14984.4 Ų84.470%0.69647%0.467SS*.Hα-helixtrans-63.8-46.4178.6-171.4171.3-16300112.3A5 L6 D7E3-A5 VanDerWaalsContact C-N 3.26Å; E3-A5 PolarHBondContact O-N 3.01Å; E3-L6 WeakPolarHBondContact O-CB 3.31Å; E3-L6 PolarHBondContact O-N 3.38Å; E3-L6 VanDerWaalsContact O-N 3.09Å; E3-D7 PolarHBondContact O-N 3.19Å
4A95.6Very high95.4Very high68 Ų6886.1 Ų86.156%0.56246%0.463SS*.Hα-helixtrans-60-34.8174.300000113.1A8A4-A8 PolarHBondContact O-N 2.79Å; A4-A8 VanDerWaalsContact O-N 3.1Å
5A96.8Very high95.6Very high57 Ų5787.3 Ų87.347%0.47146%0.464SS..Hα-helixtrans-70-40.4174.500000111.7M1 A2 E3 A8 V9M1-A5 PolarHBondContact O-N 3.18Å; M1-A5 VanDerWaalsContact O-N 3.08Å; A2-A5 PolarHBondContact O-N 3.45Å; E3-A5 VanDerWaalsContact C-N 3.26Å; E3-A5 PolarHBondContact O-N 3.01Å; A5-A8 WeakPolarHBondContact O-CB 3.26Å; A5-A8 PolarHBondContact O-N 3.19Å; A5-V9 WeakPolarHBondContact O-CG2 3.5Å; A5-V9 PolarHBondContact O-N 2.95Å
6L96.5Very high95.8Very high64 Ų6487.5 Ų87.534%0.33546%0.46SS..Hα-helixtrans-64-40.7175.7-178.260.2000111.8A2 E3 A8 V9 R10A2-L6 PolarHBondContact O-N 3.12Å; E3-L6 WeakPolarHBondContact O-CB 3.31Å; E3-L6 PolarHBondContact O-N 3.38Å; E3-L6 VanDerWaalsContact O-N 3.09Å; L6-A8 VanDerWaalsContact C-N 3.33Å; L6-A8 PolarHBondContact O-N 2.93Å; L6-V9 WeakPolarHBondContact O-CB 3.44Å; L6-V9 PolarHBondContact O-N 3.38Å; L6-R10 WeakPolarHBondContact O-CG 3.47Å; L6-R10 PolarHBondContact O-N 2.73Å
7D96.5Very high96Very high73 Ų7382.4 Ų82.439%0.3943%0.433SS..Hα-helixtrans-67.3-34.2176-72.4-22.5000112.4E3 R10 R11E3-D7 PolarHBondContact O-N 3.19Å; D7-R10 PolarHBondContact O-N 3.06Å; D7-R10 IonicContact OD1-CZ 2.93Å; D7-R10 IonicContact OD1-NH1 2.69Å; D7-R10 PolarHBondContact OD1-NH1 2.68Å; D7-R11 WeakPolarHBondContact O-CB 3.35Å; D7-R11 PolarHBondContact O-N 2.75Å
8A97.8Very high96.1Very high33 Ų3379.2 Ų79.227%0.27342%0.42SS..Hα-helixtrans-61.4-47.6169.800000111A4 A5 L6 R10 R11 E12A4-A8 PolarHBondContact O-N 2.79Å; A4-A8 VanDerWaalsContact O-N 3.1Å; A5-A8 WeakPolarHBondContact O-CB 3.26Å; A5-A8 PolarHBondContact O-N 3.19Å; L6-A8 VanDerWaalsContact C-N 3.33Å; L6-A8 PolarHBondContact O-N 2.93Å; A8-R10 PolarHBondContact O-N 3.28Å; A8-R11 WeakPolarHBondContact O-CB 3.47Å; A8-R11 PolarHBondContact O-N 3.49Å; A8-R11 VanDerWaalsContact O-N 3.15Å; A8-E12 WeakPolarHBondContact O-CG 3.11Å; A8-E12 PolarHBondContact O-N 3.13Å
9V97.9Very high96.2Very high62 Ų6278.1 Ų78.138%0.37642%0.424SS..Hα-helixtrans-57.7-46.6175.8172.10000111.5A5 L6 R11 E12 L13A5-V9 WeakPolarHBondContact O-CG2 3.5Å; A5-V9 PolarHBondContact O-N 2.95Å; L6-V9 WeakPolarHBondContact O-CB 3.44Å; L6-V9 PolarHBondContact O-N 3.38Å; V9-R11 VanDerWaalsContact C-N 3.29Å; V9-R11 PolarHBondContact O-N 3.23Å; V9-E12 PolarHBondContact O-N 2.89Å; V9-L13 HydrophobicContact CG1-CD1 3.91Å; V9-L13 HydrophobicContact CG1-CG 4.38Å; V9-L13 WeakPolarHBondContact O-CG 3.3Å; V9-L13 PolarHBondContact O-N 3.05Å
10R98.4Very high96.3Very high60 Ų6075 Ų7523%0.22641%0.409CS..Hα-helixtrans-59.8-39.5176.9-72.9170.3176.9154.5-4.3112.2L6 D7 A8 L13 R14 S313 L315L6-R10 WeakPolarHBondContact O-CG 3.47Å; L6-R10 PolarHBondContact O-N 2.73Å; D7-R10 PolarHBondContact O-N 3.06Å; D7-R10 IonicContact OD1-CZ 2.93Å; D7-R10 IonicContact OD1-NH1 2.69Å; D7-R10 PolarHBondContact OD1-NH1 2.68Å; A8-R10 PolarHBondContact O-N 3.28Å; R10-L13 PolarHBondContact O-N 3.37Å; R10-R14 VanDerWaalsContact O-CG 3.26Å; R10-R14 WeakPolarHBondContact O-CG 3.33Å; R10-R14 PolarHBondContact O-N 2.74Å; R10-S313 PolarHBondContact NE-O 3.36Å; R10-S313 PolarHBondContact NH2-O 2.94Å; R10-L315 HydrophobicContact CB-CD2 4.38Å; R10-L315 HydrophobicContact CG-CD2 4.27Å; R10-L315 HydrophobicContact CG-CG 4.37Å
11R98.1Very high96.3Very high120 Ų12073.6 Ų73.645%0.45340%0.398SS..Hα-helixtrans-62.7-50.4176.9-175.5-174.363.5-128.3-8.8110.8D7 A8 V9 L13 R14 E15D7-R11 WeakPolarHBondContact O-CB 3.35Å; D7-R11 PolarHBondContact O-N 2.75Å; A8-R11 WeakPolarHBondContact O-CB 3.47Å; A8-R11 PolarHBondContact O-N 3.49Å; A8-R11 VanDerWaalsContact O-N 3.15Å; V9-R11 VanDerWaalsContact C-N 3.29Å; V9-R11 PolarHBondContact O-N 3.23Å; R11-L13 VanDerWaalsContact C-N 3.29Å; R11-L13 PolarHBondContact O-N 3.05Å; R11-R14 PolarHBondContact O-N 3.45Å; R11-E15 WeakPolarHBondContact CD-OE1 3.24Å; R11-E15 HydrophobicContact CG-CG 4.39Å; R11-E15 WeakPolarHBondContact CG-OE1 3.37Å; R11-E15 WeakPolarHBondContact O-CG 3.39Å; R11-E15 PolarHBondContact O-N 2.95Å
12E98.5Very high97.2Very high101 Ų10171.3 Ų71.347%0.47239%0.385SS..Hα-helixtrans-59.9-40178.8-56.9-51.1137.600111.7A8 V9 R14 E15 F16A8-E12 WeakPolarHBondContact O-CG 3.11Å; A8-E12 PolarHBondContact O-N 3.13Å; V9-E12 PolarHBondContact O-N 2.89Å; E12-R14 VanDerWaalsContact C-N 3.33Å; E12-R14 PolarHBondContact O-N 3.39Å; E12-E15 PolarHBondContact O-N 3.38Å; E12-F16 VanDerWaalsContact O-CB 3.29Å; E12-F16 WeakPolarHBondContact O-CB 3.45Å; E12-F16 PolarHBondContact O-N 3.35Å
13L98.6Very high97.5Very high14 Ų1474.5 Ų74.57%0.07339%0.389CS..Hα-helixtrans-65.4-31.4175.9-71.6172000113.4V9 R10 R11 P17 P204 L306 L309 S313 L315V9-L13 HydrophobicContact CG1-CD1 3.91Å; V9-L13 HydrophobicContact CG1-CG 4.38Å; V9-L13 WeakPolarHBondContact O-CG 3.3Å; V9-L13 PolarHBondContact O-N 3.05Å; R10-L13 PolarHBondContact O-N 3.37Å; R11-L13 VanDerWaalsContact C-N 3.29Å; R11-L13 PolarHBondContact O-N 3.05Å; L13-P17 WeakPolarHBondContact O-CD 3.4Å; L13-P204 WeakPolarHBondContact O-CB 3.25Å; L13-P204 WeakPolarHBondContact O-CG 3.35Å; L13-L306 HydrophobicContact CD2-CD1 3.76Å; L13-L309 HydrophobicContact CD1-CB 4.14Å; L13-L309 HydrophobicContact CD2-CB 4.16Å; L13-S313 WeakPolarHBondContact CD1-OG 3.36Å; L13-L315 HydrophobicContact CB-CD1 3.54Å; L13-L315 HydrophobicContact CD1-CD1 3.87Å; L13-L315 HydrophobicContact CG-CD1 4.37Å
14R98.5Very high97.4Very high109 Ų10969.4 Ų69.441%0.41137%0.37SS..Hα-helixtrans-80-31.5176-69.8177.5-170.5134-0.5112.7R10 R11 E12 P17 F205 L315R10-R14 VanDerWaalsContact O-CG 3.26Å; R10-R14 WeakPolarHBondContact O-CG 3.33Å; R10-R14 PolarHBondContact O-N 2.74Å; R11-R14 PolarHBondContact O-N 3.45Å; E12-R14 VanDerWaalsContact C-N 3.33Å; E12-R14 PolarHBondContact O-N 3.39Å; R14-P17 WeakPolarHBondContact O-CD 3.36Å; R14-F205 HydrophobicContact CB-CE1 4.18Å; R14-F205 HydrophobicContact CB-CZ 4.05Å; R14-F205 HydrophobicContact CG-CE1 3.97Å; R14-F205 HydrophobicContact CG-CZ 4.36Å; R14-F205 VanDerWaalsContact O-CZ 3.24Å; R14-F205 WeakPolarHBondContact O-CZ 3.24Å; R14-L315 HydrophobicContact CG-CD1 4.31Å; R14-L315 HydrophobicContact CG-CD2 4.22Å; R14-L315 VanDerWaalsContact NE-CD2 3.31Å; R14-L315 VanDerWaalsContact NH2-CD2 3.27Å
15E98.5Very high97.3Very high103 Ų10367.1 Ų67.148%0.48135%0.349SS..Hα-helixtrans-78.6-30.1177.6-70.3177.2-169.300111.9R11 E12 A18 A19R11-E15 WeakPolarHBondContact CD-OE1 3.24Å; R11-E15 HydrophobicContact CG-CG 4.39Å; R11-E15 WeakPolarHBondContact CG-OE1 3.37Å; R11-E15 WeakPolarHBondContact O-CG 3.39Å; R11-E15 PolarHBondContact O-N 2.95Å; E12-E15 PolarHBondContact O-N 3.38Å; E15-A18 PolarHBondContact O-N 2.94Å; E15-A19 PolarHBondContact O-N 2.74Å; E15-A19 VanDerWaalsContact O-N 3.08Å
16F98.8Very high97.1Very high91 Ų9166.3 Ų66.340%0.39934%0.339SS..Hα-helixtrans-55.2-47-177.4173.3-102000115.1E12 A18 A19 A20 L306E12-F16 VanDerWaalsContact O-CB 3.29Å; E12-F16 WeakPolarHBondContact O-CB 3.45Å; E12-F16 PolarHBondContact O-N 3.35Å; F16-A18 VanDerWaalsContact C-N 3.27Å; F16-A18 PolarHBondContact O-N 3.14Å; F16-A19 PolarHBondContact O-N 2.84Å; F16-A20 HydrophobicContact CE1-CB 4.43Å; F16-A20 HydrophobicContact CE2-CB 4.19Å; F16-A20 HydrophobicContact CZ-CB 4.1Å; F16-A20 VanDerWaalsContact O-CB 3.27Å; F16-A20 WeakPolarHBondContact O-CB 3.41Å; F16-A20 PolarHBondContact O-N 3.37Å; F16-L306 HydrophobicContact CD1-CD1 3.96Å; F16-L306 HydrophobicContact CD1-CD2 4.19Å; F16-L306 HydrophobicContact CE1-CD1 4.16Å; F16-L306 HydrophobicContact CE1-CD2 3.71Å
17P98.6Very high96.9Very high0 Ų070.6 Ų70.60%036%0.361CS..Hα-helixtrans-56-40.8179.1-26.233.1000113L13 R14 R21 S201 P204 F205L13-P17 WeakPolarHBondContact O-CD 3.4Å; R14-P17 WeakPolarHBondContact O-CD 3.36Å; P17-R21 VanDerWaalsContact O-CG 3.28Å; P17-R21 WeakPolarHBondContact O-CG 3.42Å; P17-R21 PolarHBondContact O-N 2.62Å; P17-R21 VanDerWaalsContact O-N 3.09Å; P17-S201 WeakPolarHBondContact CB-O 3.39Å; P17-S201 VanDerWaalsContact CG-O 3.31Å; P17-S201 WeakPolarHBondContact CG-O 3.2Å; P17-P204 HydrophobicContact CG-CB 4.26Å; P17-P204 HydrophobicContact CG-CG 3.99Å; P17-F205 HydrophobicContact CB-CD2 4.01Å; P17-F205 HydrophobicContact CB-CE2 3.81Å; P17-F205 HydrophobicContact CG-CD2 3.83Å; P17-F205 HydrophobicContact CG-CE2 3.58Å; P17-F205 HydrophobicContact CG-CZ 4.32Å
18A98.4Very high96.9Very high25 Ų2570.2 Ų70.221%0.20737%0.368CS..Hα-helixtrans-68.4-49.717700000111.9E15 F16 A20 R21 E22E15-A18 PolarHBondContact O-N 2.94Å; F16-A18 VanDerWaalsContact C-N 3.27Å; F16-A18 PolarHBondContact O-N 3.14Å; A18-A20 VanDerWaalsContact C-N 3.31Å; A18-A20 PolarHBondContact O-N 3.29Å; A18-R21 VanDerWaalsContact O-CG 3.31Å; A18-R21 WeakPolarHBondContact O-CG 3.32Å; A18-R21 PolarHBondContact O-N 2.97Å; A18-E22 WeakPolarHBondContact O-CB 3.49Å; A18-E22 VanDerWaalsContact O-CG 3.28Å; A18-E22 WeakPolarHBondContact O-CG 3.38Å; A18-E22 PolarHBondContact O-N 3.25Å
19A98.5Very high96.9Very high59 Ų5969 Ų6949%0.48836%0.358SS..Hα-helixtrans-60.3-41.2178.500000112.3E15 F16 L23E15-A19 PolarHBondContact O-N 2.74Å; E15-A19 VanDerWaalsContact O-N 3.08Å; F16-A19 PolarHBondContact O-N 2.84Å; A19-L23 PolarHBondContact O-N 3.21Å
20A98.2Very high97Very high16 Ų1668 Ų6813%0.13235%0.352CS..Hα-helixtrans-64-49.9177.900000111.3F16 A18 L23 S24F16-A20 HydrophobicContact CE1-CB 4.43Å; F16-A20 HydrophobicContact CE2-CB 4.19Å; F16-A20 HydrophobicContact CZ-CB 4.1Å; F16-A20 VanDerWaalsContact O-CB 3.27Å; F16-A20 WeakPolarHBondContact O-CB 3.41Å; F16-A20 PolarHBondContact O-N 3.37Å; A18-A20 VanDerWaalsContact C-N 3.31Å; A18-A20 PolarHBondContact O-N 3.29Å; A20-L23 PolarHBondContact O-N 3.04Å; A20-S24 PolarHBondContact O-N 3.35Å; A20-S24 PolarHBondContact O-OG 3.44Å
21R96.6Very high97Very high45 Ų4569.3 Ų69.317%0.1736%0.358CS..Hα-helixtrans-67.3-39.7-177.971.1-171.4168-141.10.5112.8P17 A18 L23 S24 V25 D202 Q255P17-R21 VanDerWaalsContact O-CG 3.28Å; P17-R21 WeakPolarHBondContact O-CG 3.42Å; P17-R21 PolarHBondContact O-N 2.62Å; P17-R21 VanDerWaalsContact O-N 3.09Å; A18-R21 VanDerWaalsContact O-CG 3.31Å; A18-R21 WeakPolarHBondContact O-CG 3.32Å; A18-R21 PolarHBondContact O-N 2.97Å; R21-L23 PolarHBondContact O-N 3.47Å; R21-S24 PolarHBondContact O-N 3.31Å; R21-V25 HydrophobicContact CB-CB 3.85Å; R21-V25 HydrophobicContact CB-CG2 4.17Å; R21-V25 PolarHBondContact O-N 3.01Å; R21-D202 IonicContact NH1-OD1 2.77Å; R21-D202 PolarHBondContact NH1-OD1 3.27Å; R21-Q255 PolarHBondContact NH1-O 2.83Å; R21-Q255 PolarHBondContact NH2-O 3Å
22E96.6Very high97Very high164 Ų16465.5 Ų65.577%0.76635%0.346SS*.Hα-helixtrans-61.3-32.4177.7-74.7172.2-164.900112.5A18A18-E22 WeakPolarHBondContact O-CB 3.49Å; A18-E22 VanDerWaalsContact O-CG 3.28Å; A18-E22 WeakPolarHBondContact O-CG 3.38Å; A18-E22 PolarHBondContact O-N 3.25Å
23L96.5Very high97Very high152 Ų15266.1 Ų66.180%0.79635%0.353SS*.Hα-helixtrans-83.9-41.3177.4-176.562.8000112.8A19 A20 R21A19-L23 PolarHBondContact O-N 3.21Å; A20-L23 PolarHBondContact O-N 3.04Å; R21-L23 PolarHBondContact O-N 3.47Å
24S91.4Very high97Very high41 Ų4172.8 Ų72.829%0.28738%0.382SS..Hα-helixtrans-128.5-13.4-161.4780000116.7A20 R21 R50A20-S24 PolarHBondContact O-N 3.35Å; A20-S24 PolarHBondContact O-OG 3.44Å; R21-S24 PolarHBondContact O-N 3.31Å; S24-R50 VanDerWaalsContact O-CZ 3.31Å; S24-R50 PolarHBondContact O-NE 3.05Å; S24-R50 PolarHBondContact O-NH2 3.16Å; S24-R50 VanDerWaalsContact O-NH2 3.16Å
25V93.6Very high97Very high20 Ų2069.9 Ų69.912%0.12138%0.376CS..  trans-111.4123.3-176.2178.20000109.9R21 P199 L259 W275R21-V25 HydrophobicContact CB-CB 3.85Å; R21-V25 HydrophobicContact CB-CG2 4.17Å; R21-V25 PolarHBondContact O-N 3.01Å; V25-P199 HydrophobicContact CG2-CB 3.9Å; V25-P199 HydrophobicContact CG2-CG 4.22Å; V25-L259 HydrophobicContact CG1-CD1 3.93Å; V25-L259 HydrophobicContact CG1-CD2 4.04Å; V25-W275 HydrophobicContact CG1-CH2 3.83Å; V25-W275 HydrophobicContact CG2-CH2 4.45Å; V25-W275 HydrophobicContact CG2-CZ2 4.46Å
26P91.9Very high97Very high41 Ų4165.8 Ų65.827%0.26636%0.359SS..  trans-68.8153178.931.1-36.1000111.3A28 L259P26-A28 WeakPolarHBondContact CB-O 3.44Å; P26-A28 WeakPolarHBondContact CG-O 3.44Å; P26-A28 PolarHBondContact O-N 3.05Å; P26-L259 WeakPolarHBondContact O-CD2 3.1Å
27L92.4Very high97Very high153 Ų15364.9 Ų64.980%0.80136%0.361SS*.SBendtrans-69.3-17.2177.5-65.6176.1000113.7
28A97Very high97.1Very high65 Ų6566.1 Ų66.154%0.53737%0.369SS..SBendtrans-143152.5176.200000109.3P26 P30P26-A28 WeakPolarHBondContact CB-O 3.44Å; P26-A28 WeakPolarHBondContact CG-O 3.44Å; P26-A28 PolarHBondContact O-N 3.05Å; A28-P30 VanDerWaalsContact O-CD 3.23Å; A28-P30 WeakPolarHBondContact O-CD 3.39Å
29V98.6Very high97.1Very high8 Ų870.7 Ų70.75%0.04839%0.389CS..  trans-69.2115.8175.7-1780000108.9P51 I53 L197 L259 C261 L269V29-P51 HydrophobicContact CG1-CB 4.28Å; V29-P51 HydrophobicContact CG2-CG 4.26Å; V29-I53 HydrophobicContact CG1-CD1 4.36Å; V29-I53 HydrophobicContact CG1-CG1 4.03Å; V29-L197 HydrophobicContact CG2-CD1 4.1Å; V29-L259 HydrophobicContact CG2-CB 4.48Å; V29-L259 HydrophobicContact CG2-CD2 4.28Å; V29-C261 HydrophobicContact CB-CB 3.86Å; V29-C261 HydrophobicContact CG1-CB 4.41Å; V29-C261 HydrophobicContact CG2-CB 3.75Å; V29-L269 HydrophobicContact CG1-CD1 4.3Å
30P98.6Very high97.1Very high41 Ų4171.7 Ų71.727%0.26638%0.384SS..  trans-73.4154.6-177.230-35.1000111.8A28 W45 P51 C52 I53A28-P30 VanDerWaalsContact O-CD 3.23Å; A28-P30 WeakPolarHBondContact O-CD 3.39Å; P30-W45 HydrophobicContact CB-CH2 3.99Å; P30-W45 HydrophobicContact CB-CZ3 4.43Å; P30-W45 HydrophobicContact CG-CH2 3.3Å; P30-W45 HydrophobicContact CG-CZ3 3.29Å; P30-P51 WeakPolarHBondContact CD-O 3.37Å; P30-C52 HydrophobicContact CG-CB 4.18Å; P30-C52 WeakPolarHBondContact O-CA 3.31Å; P30-I53 PolarHBondContact O-N 3.25Å
31Y98.8Very high97.1Very high87 Ų8771 Ų7134%0.34138%0.378SS..EExtended strand (participates in β ladder)trans-103.1141175-74.1-97.6000111.2I53 R55 T262 E267Y31-I53 CarbonylContact C-O 3.53Å; Y31-I53 VanDerWaalsContact CA-O 3.25Å; Y31-I53 WeakPolarHBondContact CA-O 3.46Å; Y31-I53 HydrophobicContact CD1-CB 3.69Å; Y31-I53 HydrophobicContact CD1-CG2 3.62Å; Y31-I53 HydrophobicContact CE1-CB 3.66Å; Y31-I53 HydrophobicContact CE1-CD1 3.81Å; Y31-I53 HydrophobicContact CE1-CG1 4.34Å; Y31-I53 HydrophobicContact CE1-CG2 3.43Å; Y31-I53 VanDerWaalsContact CE1-CG2 3.43Å; Y31-I53 HydrophobicContact CE2-CD1 4.32Å; Y31-I53 HydrophobicContact CG-CB 4.32Å; Y31-I53 WeakPolarHBondContact OH-CD1 3.28Å; Y31-R55 HydrophobicContact CD1-CG 4.13Å; Y31-T262 PolarHBondContact OH-O 2.94Å; Y31-E267 WeakPolarHBondContact CE1-OE1 3.42Å
32L98.8Very high97.2Very high40 Ų4073.1 Ų73.121%0.20939%0.386CS..EExtended strand (participates in β ladder)trans-106130.7164-67.5178.6000108.8K34 P36 W45 I53 I54 R55L32-K34 PolarHBondContact O-N 3.45Å; L32-P36 HydrophobicContact CD1-CB 4.26Å; L32-P36 HydrophobicContact CD1-CG 4.16Å; L32-W45 HydrophobicContact CD1-CZ2 4.13Å; L32-W45 HydrophobicContact CD2-CZ2 3.85Å; L32-W45 HydrophobicContact CG-CZ2 4.06Å; L32-I53 PolarHBondContact N-O 2.82Å; L32-I54 HydrophobicContact CB-CG1 4.43Å; L32-I54 HydrophobicContact CD1-CG1 4.02Å; L32-R55 WeakPolarHBondContact O-CB 3.46Å; L32-R55 PolarHBondContact O-N 3.22Å
33D98.8Very high97.3Very high115 Ų11571.4 Ų71.462%0.61537%0.373SS*.SBendtrans-72.5-15.8-179.5-68.2-40.9000113.5N56D33-N56 PolarHBondContact O-ND2 3.37Å
34K98.4Very high97.4Very high154 Ų15466.7 Ų66.767%0.6735%0.348SS*.SBendtrans-155.9164.6179.864.5-179.2-179.6179.70110.8L32 R55L32-K34 PolarHBondContact O-N 3.45Å; K34-R55 VanDerWaalsContact CA-O 3.31Å; K34-R55 WeakPolarHBondContact CA-O 3.3Å
35P98.8Very high97.8Very high47 Ų4766.3 Ų66.331%0.30534%0.341SS..PPolyproline II helixtrans-51.5132.1173.4-30.837.7000112.8N56 A57P35-N56 VanDerWaalsContact CD-O 3.26Å; P35-N56 WeakPolarHBondContact CD-O 3.45Å; P35-A57 HydrophobicContact CG-CB 3.94Å
36P98.8Very high98Very high18 Ų1865.5 Ų65.512%0.11734%0.336CS..PPolyproline II helixtrans-69.9162.8173.430.8-35.2000111.1L32 H40 F41 W152L32-P36 HydrophobicContact CD1-CB 4.26Å; L32-P36 HydrophobicContact CD1-CG 4.16Å; P36-H40 HydrophobicContact CB-CB 4.29Å; P36-F41 HydrophobicContact CB-CB 4.22Å; P36-F41 HydrophobicContact CG-CB 3.77Å; P36-F41 HydrophobicContact CG-CD2 3.89Å; P36-F41 HydrophobicContact CG-CG 4.15Å; P36-W152 HydrophobicContact CG-CE3 3.99Å; P36-W152 HydrophobicContact CG-CH2 4.41Å; P36-W152 HydrophobicContact CG-CZ3 3.88Å
37T98.9Very high98.4Very high72 Ų7266.9 Ų66.944%0.44235%0.346SS..PPolyproline II helixtrans-70.6155.5163.565.10000109.4L39 H40 F41T37-L39 VanDerWaalsContact C-N 3.29Å; T37-L39 PolarHBondContact O-N 2.95Å; T37-H40 PolarHBondContact O-N 3.07Å; T37-H40 WeakPolarHBondContact OG1-CB 3.42Å; T37-H40 VanDerWaalsContact OG1-CG 3.31Å; T37-H40 PolarHBondContact OG1-N 3.22Å; T37-H40 PolarHBondContact OG1-ND1 3.28Å; T37-F41 PolarHBondContact O-N 3.47Å
38P98.9Very high98.6Very high25 Ų2561.6 Ų61.616%0.16232%0.32CS..Hα-helixtrans-51.9-45.4178.6-29.334.9000113.6H40 F41 Y42 W152 E155 A156P38-H40 PolarHBondContact O-N 3.29Å; P38-F41 PolarHBondContact O-N 3.06Å; P38-Y42 PolarHBondContact O-N 3.28Å; P38-W152 HydrophobicContact CG-CB 4.26Å; P38-E155 HydrophobicContact CB-CB 4.08Å; P38-E155 HydrophobicContact CB-CG 3.99Å; P38-E155 HydrophobicContact CG-CB 3.89Å; P38-E155 VanDerWaalsContact CG-CD 3.44Å; P38-E155 HydrophobicContact CG-CG 3.89Å; P38-A156 HydrophobicContact CB-CB 3.98Å; P38-A156 WeakPolarHBondContact O-CB 3.38Å
39L98.8Very high98.7Very high121 Ų12159.6 Ų59.663%0.63430%0.303SS*.Hα-helixtrans-61.3-44.8176.7177.262.1000112.8T37 F41 R43T37-L39 VanDerWaalsContact C-N 3.29Å; T37-L39 PolarHBondContact O-N 2.95Å; L39-F41 VanDerWaalsContact C-N 3.35Å; L39-R43 VanDerWaalsContact O-CB 3.25Å; L39-R43 WeakPolarHBondContact O-CB 3.46Å; L39-R43 PolarHBondContact O-N 3.4Å
40H98.8Very high98.7Very high80 Ų8063 Ų6337%0.3732%0.315SS..Hα-helixtrans-67.4-38.4177.5-73.4170.6000111.5P36 T37 P38 Y42 R43 D44P36-H40 HydrophobicContact CB-CB 4.29Å; T37-H40 PolarHBondContact O-N 3.07Å; T37-H40 WeakPolarHBondContact OG1-CB 3.42Å; T37-H40 VanDerWaalsContact OG1-CG 3.31Å; T37-H40 PolarHBondContact OG1-N 3.22Å; T37-H40 PolarHBondContact OG1-ND1 3.28Å; P38-H40 PolarHBondContact O-N 3.29Å; H40-Y42 PolarHBondContact O-N 3.47Å; H40-R43 VanDerWaalsContact CD2-CZ 3.49Å; H40-R43 PolarHBondContact CD2-NH2 3.21Å; H40-R43 PolarHBondContact NE2-NH2 3.37Å; H40-D44 VanDerWaalsContact O-CB 3.24Å; H40-D44 WeakPolarHBondContact O-CB 3.12Å; H40-D44 PolarHBondContact O-N 3.1Å
41F98.9Very high98.7Very high1 Ų161.1 Ų61.10%0.00430%0.302CS..Hα-helixtrans-58.9-50.8175.9-173.5-123.6000111.2P36 T37 P38 L39 W45 V46 W152 A153 A156 L185 Y270P36-F41 HydrophobicContact CB-CB 4.22Å; P36-F41 HydrophobicContact CG-CB 3.77Å; P36-F41 HydrophobicContact CG-CD2 3.89Å; P36-F41 HydrophobicContact CG-CG 4.15Å; T37-F41 PolarHBondContact O-N 3.47Å; P38-F41 PolarHBondContact O-N 3.06Å; L39-F41 VanDerWaalsContact C-N 3.35Å; F41-W45 HydrophobicContact CD2-CB 4.2Å; F41-W45 HydrophobicContact CD2-CG 4.36Å; F41-W45 HydrophobicContact CE2-CB 4.21Å; F41-W45 WeakPolarHBondContact O-CB 3.2Å; F41-W45 PolarHBondContact O-N 3.35Å; F41-W45 VanDerWaalsContact O-N 3.15Å; F41-V46 HydrophobicContact CD1-CG2 3.72Å; F41-V46 HydrophobicContact CE1-CG2 3.44Å; F41-V46 VanDerWaalsContact CE1-CG2 3.44Å; F41-V46 HydrophobicContact CE2-CG2 4.34Å; F41-V46 HydrophobicContact CG-CG2 4.3Å; F41-V46 HydrophobicContact CZ-CG2 3.77Å; F41-V46 PolarHBondContact O-N 2.94Å; F41-V46 VanDerWaalsContact O-N 3.14Å; F41-W152 HydrophobicContact CB-CE3 4.27Å; F41-W152 HydrophobicContact CB-CZ3 4.23Å; F41-W152 HydrophobicContact CD1-CE3 4.15Å; F41-W152 AromaticContact CD1-CZ3 3.72Å; F41-W152 HydrophobicContact CD1-CZ3 3.72Å; F41-W152 HydrophobicContact CD2-CE3 4.48Å; F41-W152 HydrophobicContact CD2-CH2 4.42Å; F41-W152 AromaticContact CD2-CZ3 3.63Å; F41-W152 HydrophobicContact CD2-CZ3 3.63Å; F41-W152 AromaticContact CE1-CZ3 3.92Å; F41-W152 HydrophobicContact CE1-CZ3 3.92Å; F41-W152 HydrophobicContact CE2-CH2 4.32Å; F41-W152 AromaticContact CE2-CZ3 3.84Å; F41-W152 HydrophobicContact CE2-CZ3 3.84Å; F41-W152 HydrophobicContact CG-CE3 4.05Å; F41-W152 AromaticContact CG-CZ3 3.57Å; F41-W152 HydrophobicContact CG-CZ3 3.57Å; F41-W152 AromaticContact CZ-CZ3 3.98Å; F41-W152 HydrophobicContact CZ-CZ3 3.98Å; F41-A153 HydrophobicContact CD1-CB 4.4Å; F41-A153 HydrophobicContact CE1-CB 4.05Å; F41-A156 HydrophobicContact CB-CB 4.29Å; F41-A156 HydrophobicContact CD1-CB 3.74Å; F41-L185 HydrophobicContact CZ-CD2 4.08Å; F41-Y270 AromaticContact CE2-CD1 3.82Å; F41-Y270 HydrophobicContact CE2-CD1 3.82Å; F41-Y270 HydrophobicContact CE2-CD2 4.15Å; F41-Y270 HydrophobicContact CE2-CE1 4.29Å; F41-Y270 AromaticContact CE2-CG 3.74Å; F41-Y270 HydrophobicContact CE2-CG 3.74Å; F41-Y270 HydrophobicContact CZ-CD1 4.1Å; F41-Y270 AromaticContact CZ-CD2 3.67Å; F41-Y270 HydrophobicContact CZ-CD2 3.67Å; F41-Y270 HydrophobicContact CZ-CE1 4.32Å; F41-Y270 AromaticContact CZ-CE2 3.93Å; F41-Y270 HydrophobicContact CZ-CE2 3.93Å; F41-Y270 AromaticContact CZ-CG 3.76Å; F41-Y270 HydrophobicContact CZ-CG 3.76Å
42Y98.9Very high98.7Very high91 Ų9157 Ų5736%0.35729%0.286SS..Iπ-helixtrans-64.8-48.2-178.9-161.8-87000112.4P38 H40 V46 C47 A156P38-Y42 PolarHBondContact O-N 3.28Å; H40-Y42 PolarHBondContact O-N 3.47Å; Y42-V46 HydrophobicContact CD2-CB 4.2Å; Y42-V46 HydrophobicContact CD2-CG1 4.16Å; Y42-V46 HydrophobicContact CE2-CG1 4.11Å; Y42-V46 HydrophobicContact CG-CB 4.5Å; Y42-V46 PolarHBondContact O-N 2.84Å; Y42-C47 HydrophobicContact CD1-CB 4.25Å; Y42-C47 HydrophobicContact CE1-CB 4.19Å; Y42-C47 WeakPolarHBondContact O-CB 3.07Å; Y42-C47 PolarHBondContact O-N 3.07Å; Y42-A156 WeakPolarHBondContact CD2-O 3.49Å
43R98.8Very high98.7Very high127 Ų12755 Ų5548%0.47928%0.276SS..Iπ-helixtrans-68-44.3-176.2-175.1-17168.4-150.3-6.9113L39 H40 P48L39-R43 VanDerWaalsContact O-CB 3.25Å; L39-R43 WeakPolarHBondContact O-CB 3.46Å; L39-R43 PolarHBondContact O-N 3.4Å; H40-R43 VanDerWaalsContact CD2-CZ 3.49Å; H40-R43 PolarHBondContact CD2-NH2 3.21Å; H40-R43 PolarHBondContact NE2-NH2 3.37Å; R43-P48 WeakPolarHBondContact O-CD 3.22Å
44D98.7Very high98.7Very high53 Ų5349.6 Ų49.628%0.28325%0.247SC..Iπ-helixtrans-93.8-19.5-166.5-56.9-30.2000112.6H40 P48H40-D44 VanDerWaalsContact O-CB 3.24Å; H40-D44 WeakPolarHBondContact O-CB 3.12Å; H40-D44 PolarHBondContact O-N 3.1Å; D44-P48 VanDerWaalsContact C-CG 3.44Å; D44-P48 WeakPolarHBondContact O-CG 3.29Å
45W98.8Very high98.8Very high33 Ų3346.7 Ų46.713%0.12523%0.232CC..Iπ-helixtrans-128.1-56-172.9-49.796000113.3P30 L32 F41 S49 R50 C52 Y270P30-W45 HydrophobicContact CB-CH2 3.99Å; P30-W45 HydrophobicContact CB-CZ3 4.43Å; P30-W45 HydrophobicContact CG-CH2 3.3Å; P30-W45 HydrophobicContact CG-CZ3 3.29Å; L32-W45 HydrophobicContact CD1-CZ2 4.13Å; L32-W45 HydrophobicContact CD2-CZ2 3.85Å; L32-W45 HydrophobicContact CG-CZ2 4.06Å; F41-W45 HydrophobicContact CD2-CB 4.2Å; F41-W45 HydrophobicContact CD2-CG 4.36Å; F41-W45 HydrophobicContact CE2-CB 4.21Å; F41-W45 WeakPolarHBondContact O-CB 3.2Å; F41-W45 PolarHBondContact O-N 3.35Å; F41-W45 VanDerWaalsContact O-N 3.15Å; W45-S49 WeakPolarHBondContact O-CA 3.42Å; W45-S49 PolarHBondContact O-N 2.76Å; W45-R50 HydrophobicContact CE3-CB 3.96Å; W45-R50 HydrophobicContact CZ3-CB 4.39Å; W45-R50 PolarHBondContact O-N 3.11Å; W45-C52 HydrophobicContact CD2-CB 3.87Å; W45-C52 VanDerWaalsContact CD2-SG 3.6Å; W45-C52 HydrophobicContact CE3-CB 3.5Å; W45-C52 VanDerWaalsContact CE3-CB 3.5Å; W45-C52 HydrophobicContact CH2-CB 3.76Å; W45-C52 HydrophobicContact CZ2-CB 4.1Å; W45-C52 HydrophobicContact CZ3-CB 3.46Å; W45-C52 VanDerWaalsContact CZ3-CB 3.46Å; W45-Y270 HydrophobicContact CB-CD1 3.8Å; W45-Y270 HydrophobicContact CB-CE1 3.7Å
46V98.8Very high98.7Very high4 Ų448.6 Ų48.62%0.02424%0.239CC..Iπ-helixtrans-69-55-174.7-178.40000112.2F41 Y42 S49 L157 Y270 K299F41-V46 HydrophobicContact CD1-CG2 3.72Å; F41-V46 HydrophobicContact CE1-CG2 3.44Å; F41-V46 VanDerWaalsContact CE1-CG2 3.44Å; F41-V46 HydrophobicContact CE2-CG2 4.34Å; F41-V46 HydrophobicContact CG-CG2 4.3Å; F41-V46 HydrophobicContact CZ-CG2 3.77Å; F41-V46 PolarHBondContact O-N 2.94Å; F41-V46 VanDerWaalsContact O-N 3.14Å; Y42-V46 HydrophobicContact CD2-CB 4.2Å; Y42-V46 HydrophobicContact CD2-CG1 4.16Å; Y42-V46 HydrophobicContact CE2-CG1 4.11Å; Y42-V46 HydrophobicContact CG-CB 4.5Å; Y42-V46 PolarHBondContact O-N 2.84Å; V46-S49 PolarHBondContact O-N 2.81Å; V46-S49 VanDerWaalsContact O-N 3.09Å; V46-L157 HydrophobicContact CG1-CD2 3.77Å; V46-L157 HydrophobicContact CG2-CD2 4.05Å; V46-Y270 WeakPolarHBondContact CA-OH 3.5Å; V46-Y270 HydrophobicContact CG2-CE1 4.39Å; V46-K299 PolarHBondContact O-NZ 3.35Å
47C98.6Very high98.7Very high69 Ų6948 Ų4847%0.46624%0.236SC..THydrogen-bonded Turntrans-56.1-52.9179.3-1770000111.7Y42 S49 K299Y42-C47 HydrophobicContact CD1-CB 4.25Å; Y42-C47 HydrophobicContact CE1-CB 4.19Å; Y42-C47 WeakPolarHBondContact O-CB 3.07Å; Y42-C47 PolarHBondContact O-N 3.07Å; C47-S49 PolarHBondContact O-N 3.02Å; C47-K299 WeakPolarHBondContact O-CD 3.46Å; C47-K299 PolarHBondContact O-NZ 2.87Å
48P98.3Very high98.7Very high42 Ų4244.6 Ų44.627%0.27322%0.215SC..THydrogen-bonded Turntrans-76.4-0.9178.232.1-37.2000114.4R43 D44 R50R43-P48 WeakPolarHBondContact O-CD 3.22Å; D44-P48 VanDerWaalsContact C-CG 3.44Å; D44-P48 WeakPolarHBondContact O-CG 3.29Å; P48-R50 HydrophobicContact CB-CG 4.13Å; P48-R50 HydrophobicContact CG-CG 4.23Å
49S98.5Very high98.7Very high24 Ų2447.6 Ų47.617%0.16823%0.227CC..THydrogen-bonded Turntrans54.360.8-178.4-170.40000112.6W45 V46 C47 W275W45-S49 WeakPolarHBondContact O-CA 3.42Å; W45-S49 PolarHBondContact O-N 2.76Å; V46-S49 PolarHBondContact O-N 2.81Å; V46-S49 VanDerWaalsContact O-N 3.09Å; C47-S49 PolarHBondContact O-N 3.02Å; S49-W275 WeakPolarHBondContact O-CZ2 3.44Å; S49-W275 PolarHBondContact O-NE1 3.2Å; S49-W275 PolarHBondContact OG-NE1 2.81Å; S49-W275 VanDerWaalsContact OG-NE1 3.12Å
50R98.6Very high98.7Very high80 Ų8046.7 Ų46.730%0.30222%0.219SC..  trans-121.4130.4-177.4-68.6175.1177.3169-3.7111.9S24 W45 P48 Y270S24-R50 VanDerWaalsContact O-CZ 3.31Å; S24-R50 PolarHBondContact O-NE 3.05Å; S24-R50 PolarHBondContact O-NH2 3.16Å; S24-R50 VanDerWaalsContact O-NH2 3.16Å; W45-R50 HydrophobicContact CE3-CB 3.96Å; W45-R50 HydrophobicContact CZ3-CB 4.39Å; W45-R50 PolarHBondContact O-N 3.11Å; P48-R50 HydrophobicContact CB-CG 4.13Å; P48-R50 HydrophobicContact CG-CG 4.23Å; R50-Y270 VanDerWaalsContact O-CD1 3.32Å; R50-Y270 WeakPolarHBondContact O-CD1 3.29Å; R50-Y270 VanDerWaalsContact O-CE1 3.29Å; R50-Y270 WeakPolarHBondContact O-CE1 3.41Å
51P98.8Very high98.7Very high0 Ų043 Ų430%020%0.202CC..  trans-72.5151.7175.230.8-35.9000111.1V29 P30 L197 L269 Y270 P272 W275V29-P51 HydrophobicContact CG1-CB 4.28Å; V29-P51 HydrophobicContact CG2-CG 4.26Å; P30-P51 WeakPolarHBondContact CD-O 3.37Å; P51-L197 HydrophobicContact CB-CD1 4.23Å; P51-L197 HydrophobicContact CG-CD1 4.29Å; P51-L269 HydrophobicContact CB-CD1 4.48Å; P51-Y270 VanDerWaalsContact CA-O 3.23Å; P51-Y270 WeakPolarHBondContact CA-O 3.32Å; P51-Y270 WeakPolarHBondContact CB-O 3.26Å; P51-P272 HydrophobicContact CB-CG 4.37Å; P51-W275 VanDerWaalsContact CD-CH2 3.41Å; P51-W275 HydrophobicContact CG-CE3 4.34Å; P51-W275 HydrophobicContact CG-CH2 3.77Å; P51-W275 HydrophobicContact CG-CZ2 4.17Å; P51-W275 HydrophobicContact CG-CZ3 3.88Å
52C98.9Very high98.7Very high0 Ų045.4 Ų45.40%022%0.217CC..EExtended strand (participates in β ladder)trans-151.7155168.664.40000111.4P30 W45 Y270P30-C52 HydrophobicContact CG-CB 4.18Å; P30-C52 WeakPolarHBondContact O-CA 3.31Å; W45-C52 HydrophobicContact CD2-CB 3.87Å; W45-C52 VanDerWaalsContact CD2-SG 3.6Å; W45-C52 HydrophobicContact CE3-CB 3.5Å; W45-C52 VanDerWaalsContact CE3-CB 3.5Å; W45-C52 HydrophobicContact CH2-CB 3.76Å; W45-C52 HydrophobicContact CZ2-CB 4.1Å; W45-C52 HydrophobicContact CZ3-CB 3.46Å; W45-C52 VanDerWaalsContact CZ3-CB 3.46Å; C52-Y270 PolarHBondContact N-O 3.36Å; C52-Y270 PolarHBondContact O-N 3.21Å
53I98.9Very high98.6Very high0 Ų041 Ų410%020%0.2CC..EExtended strand (participates in β ladder)trans-101.8121.4170.5-64.8169.9000108.8V29 P30 Y31 L32 C261 V263 E267 M268 L269V29-I53 HydrophobicContact CG1-CD1 4.36Å; V29-I53 HydrophobicContact CG1-CG1 4.03Å; P30-I53 PolarHBondContact O-N 3.25Å; Y31-I53 CarbonylContact C-O 3.53Å; Y31-I53 VanDerWaalsContact CA-O 3.25Å; Y31-I53 WeakPolarHBondContact CA-O 3.46Å; Y31-I53 HydrophobicContact CD1-CB 3.69Å; Y31-I53 HydrophobicContact CD1-CG2 3.62Å; Y31-I53 HydrophobicContact CE1-CB 3.66Å; Y31-I53 HydrophobicContact CE1-CD1 3.81Å; Y31-I53 HydrophobicContact CE1-CG1 4.34Å; Y31-I53 HydrophobicContact CE1-CG2 3.43Å; Y31-I53 VanDerWaalsContact CE1-CG2 3.43Å; Y31-I53 HydrophobicContact CE2-CD1 4.32Å; Y31-I53 HydrophobicContact CG-CB 4.32Å; Y31-I53 WeakPolarHBondContact OH-CD1 3.28Å; L32-I53 PolarHBondContact N-O 2.82Å; I53-C261 HydrophobicContact CD1-CB 3.95Å; I53-V263 HydrophobicContact CD1-CG2 4.25Å; I53-V263 HydrophobicContact CG1-CG2 4.46Å; I53-E267 HydrophobicContact CG2-CB 3.84Å; I53-E267 HydrophobicContact CG2-CG 4.28Å; I53-M268 CarbonylContact C-O 3.43Å; I53-M268 WeakPolarHBondContact CA-O 3.39Å; I53-L269 HydrophobicContact CG1-CD1 3.96Å
54I98.9Very high98.6Very high0 Ų037.5 Ų37.50%019%0.191CC..EExtended strand (participates in β ladder)trans-99114.4178.8-54.2140000108.1L32 A57 W152 M268L32-I54 HydrophobicContact CB-CG1 4.43Å; L32-I54 HydrophobicContact CD1-CG1 4.02Å; I54-A57 HydrophobicContact CB-CB 4.49Å; I54-A57 HydrophobicContact CG2-CB 3.85Å; I54-W152 HydrophobicContact CD1-CH2 3.56Å; I54-W152 HydrophobicContact CD1-CZ2 4.08Å; I54-M268 HydrophobicContact CB-CB 4.42Å; I54-M268 HydrophobicContact CD1-CG 4.34Å; I54-M268 HydrophobicContact CD1-SD 3.94Å; I54-M268 PolarHBondContact N-O 3.43Å; I54-M268 PolarHBondContact O-N 2.84Å
55R98.8Very high98.6Very high93 Ų9341.2 Ų41.235%0.35121%0.206SC..SBendtrans-82.9160170.1-63.9-179.5174.2158.64109.7Y31 L32 K34 A57 E267Y31-R55 HydrophobicContact CD1-CG 4.13Å; L32-R55 WeakPolarHBondContact O-CB 3.46Å; L32-R55 PolarHBondContact O-N 3.22Å; K34-R55 VanDerWaalsContact CA-O 3.31Å; K34-R55 WeakPolarHBondContact CA-O 3.3Å; R55-A57 PolarHBondContact O-N 3.36Å; R55-E267 HydrophobicContact CG-CG 4.39Å; R55-E267 IonicContact NE-OE1 3.8Å; R55-E267 PolarHBondContact NE-OE1 2.57Å
56N98.6Very high98.6Very high87 Ų8743.8 Ų43.847%0.46522%0.218SC..SBendtrans5633.6174.6-49.6-46.3000115.2D33 P35 Q59D33-N56 PolarHBondContact O-ND2 3.37Å; P35-N56 VanDerWaalsContact CD-O 3.26Å; P35-N56 WeakPolarHBondContact CD-O 3.45Å; N56-Q59 VanDerWaalsContact CA-CD 3.48Å; N56-Q59 PolarHBondContact O-OE1 3.48Å; N56-Q59 PolarHBondContact OD1-NE2 2.75Å
57A98.6Very high98.6Very high5 Ų544.2 Ų44.24%0.04122%0.219CC..SBendtrans-99.3-8.1177.300000113.6P35 I54 R55 H60 M268P35-A57 HydrophobicContact CG-CB 3.94Å; I54-A57 HydrophobicContact CB-CB 4.49Å; I54-A57 HydrophobicContact CG2-CB 3.85Å; R55-A57 PolarHBondContact O-N 3.36Å; A57-H60 PolarHBondContact O-CE1 3Å; A57-M268 HydrophobicContact CB-CB 4.34Å; A57-M268 HydrophobicContact CB-CE 4.19Å; A57-M268 HydrophobicContact CB-SD 4.47Å
58L98.7Very high98.6Very high1 Ų143.1 Ų43.11%0.00521%0.213CC..SBendtrans-1250.8-168.2-53.8178.4000113.6H60 W61 L64 C187 M268L58-H60 PolarHBondContact O-N 3.25Å; L58-W61 HydrophobicContact CD2-CD2 4.08Å; L58-W61 HydrophobicContact CD2-CE3 3.99Å; L58-W61 HydrophobicContact CD2-CH2 3.86Å; L58-W61 HydrophobicContact CD2-CZ2 3.92Å; L58-W61 HydrophobicContact CD2-CZ3 3.89Å; L58-W61 WeakPolarHBondContact O-CB 3.48Å; L58-W61 PolarHBondContact O-N 3.46Å; L58-L64 HydrophobicContact CB-CD2 4.5Å; L58-C187 HydrophobicContact CD1-CB 3.8Å; L58-C187 HydrophobicContact CD2-CB 4.02Å; L58-M268 HydrophobicContact CD2-CE 3.89Å
59Q97.9Very high98.6Very high88 Ų8842.8 Ų42.841%0.41121%0.208SC..THydrogen-bonded Turntrans-61.4-29.4-174.7-77.182.9900114.2N56 W61 Q65N56-Q59 VanDerWaalsContact CA-CD 3.48Å; N56-Q59 PolarHBondContact O-OE1 3.48Å; N56-Q59 PolarHBondContact OD1-NE2 2.75Å; Q59-W61 PolarHBondContact O-N 2.92Å; Q59-Q65 PolarHBondContact O-NE2 2.91Å
60H98.3Very high98.6Very high103 Ų10345.5 Ų45.548%0.47723%0.226SC..THydrogen-bonded Turntrans-76.4-11.1-179.862-66.9000112.8A57 L58 P62 E147A57-H60 PolarHBondContact O-CE1 3Å; L58-H60 PolarHBondContact O-N 3.25Å; H60-P62 WeakPolarHBondContact O-CD 3.48Å; H60-E147 IonicContact CD2-OE1 3.6Å; H60-E147 IonicContact CD2-OE2 2.81Å; H60-E147 IonicContact CE1-OE2 2.76Å; H60-E147 IonicContact NE2-OE1 3.24Å; H60-E147 PolarHBondContact NE2-OE1 2.89Å; H60-E147 IonicContact NE2-OE2 3.93Å; H60-E147 PolarHBondContact NE2-OE2 3.44Å
61W98.8Very high98.6Very high3 Ų343.9 Ų43.91%0.01122%0.22CC..  trans-79.7120.8175.4-68.85.6000110.9L58 Q59 A63 L64 Q65 L146 E147 C187 F290L58-W61 HydrophobicContact CD2-CD2 4.08Å; L58-W61 HydrophobicContact CD2-CE3 3.99Å; L58-W61 HydrophobicContact CD2-CH2 3.86Å; L58-W61 HydrophobicContact CD2-CZ2 3.92Å; L58-W61 HydrophobicContact CD2-CZ3 3.89Å; L58-W61 WeakPolarHBondContact O-CB 3.48Å; L58-W61 PolarHBondContact O-N 3.46Å; Q59-W61 PolarHBondContact O-N 2.92Å; W61-A63 HydrophobicContact CB-CB 4.34Å; W61-A63 PolarHBondContact O-N 3.11Å; W61-A63 VanDerWaalsContact O-N 3.08Å; W61-L64 PolarHBondContact O-N 2.95Å; W61-L64 VanDerWaalsContact O-N 3.11Å; W61-Q65 PolarHBondContact O-OE1 3.14Å; W61-Q65 VanDerWaalsContact O-OE1 3.14Å; W61-L146 HydrophobicContact CB-CB 4.42Å; W61-L146 HydrophobicContact CD2-CB 3.54Å; W61-L146 HydrophobicContact CE3-CB 3.62Å; W61-L146 HydrophobicContact CE3-CD2 4.39Å; W61-L146 HydrophobicContact CG-CB 3.93Å; W61-L146 HydrophobicContact CH2-CB 4.3Å; W61-L146 HydrophobicContact CZ2-CB 4.26Å; W61-L146 HydrophobicContact CZ3-CB 4.01Å; W61-L146 HydrophobicContact CZ3-CD2 4.18Å; W61-E147 PolarHBondContact NE1-OE2 2.88Å; W61-C187 HydrophobicContact CH2-CB 4.11Å; W61-C187 HydrophobicContact CZ3-CB 4.1Å; W61-F290 AromaticContact CH2-CE2 3.5Å; W61-F290 HydrophobicContact CH2-CE2 3.5Å; W61-F290 AromaticContact CH2-CZ 3.54Å; W61-F290 HydrophobicContact CH2-CZ 3.54Å; W61-F290 AromaticContact CZ2-CE2 3.73Å; W61-F290 HydrophobicContact CZ2-CE2 3.73Å; W61-F290 AromaticContact CZ2-CZ 3.56Å; W61-F290 HydrophobicContact CZ2-CZ 3.56Å
62P98.8Very high98.6Very high50 Ų5043.9 Ų43.933%0.32522%0.22SC..THydrogen-bonded Turntrans-53.5-27.9170.5-2632.3000113.6H60 L64 Q65 K66 D145H60-P62 WeakPolarHBondContact O-CD 3.48Å; P62-L64 PolarHBondContact O-N 3.23Å; P62-Q65 PolarHBondContact O-N 2.83Å; P62-Q65 VanDerWaalsContact O-N 3.16Å; P62-Q65 PolarHBondContact O-OE1 3.32Å; P62-K66 HydrophobicContact CB-CD 3.76Å; P62-K66 VanDerWaalsContact O-CB 3.32Å; P62-K66 WeakPolarHBondContact O-CB 3.23Å; P62-K66 VanDerWaalsContact O-CG 3.28Å; P62-K66 WeakPolarHBondContact O-CG 3.48Å; P62-K66 PolarHBondContact O-N 3.36Å; P62-D145 HydrophobicContact CB-CB 4.35Å; P62-D145 WeakPolarHBondContact CD-O 3.27Å
63A98.7Very high98.6Very high0 Ų046.9 Ų46.90%023%0.231CC..Hα-helixtrans-51.9-39.5176.900000112.6W61 Q65 K66 W67 D145 V189W61-A63 HydrophobicContact CB-CB 4.34Å; W61-A63 PolarHBondContact O-N 3.11Å; W61-A63 VanDerWaalsContact O-N 3.08Å; A63-Q65 PolarHBondContact O-N 3.12Å; A63-K66 PolarHBondContact O-N 2.93Å; A63-W67 HydrophobicContact CB-CD2 3.54Å; A63-W67 HydrophobicContact CB-CE3 4.06Å; A63-W67 HydrophobicContact CB-CG 3.77Å; A63-W67 HydrophobicContact CB-CZ2 4.07Å; A63-W67 VanDerWaalsContact O-CB 3.23Å; A63-W67 WeakPolarHBondContact O-CB 3.32Å; A63-W67 PolarHBondContact O-N 3.04Å; A63-D145 HydrophobicContact CB-CB 4.06Å; A63-D145 VanDerWaalsContact CB-O 3.24Å; A63-D145 WeakPolarHBondContact CB-O 3.3Å; A63-D145 PolarHBondContact N-O 2.88Å; A63-V189 HydrophobicContact CB-CG1 4.08Å; A63-V189 WeakPolarHBondContact O-CG1 3.36Å
64L98.4Very high98.6Very high53 Ų5351.1 Ų51.128%0.27727%0.267SS..Hα-helixtrans-66.4-24.2-175.2-164.663.8000113L58 W61 P62L58-L64 HydrophobicContact CB-CD2 4.5Å; W61-L64 PolarHBondContact O-N 2.95Å; W61-L64 VanDerWaalsContact O-N 3.11Å; P62-L64 PolarHBondContact O-N 3.23Å
65Q98.4Very high98.6Very high131 Ų13153.9 Ų53.961%0.61228%0.283SS*.Hα-helixtrans-102-24.5175.6-53.28616.400113.1Q59 W61 P62 A63Q59-Q65 PolarHBondContact O-NE2 2.91Å; W61-Q65 PolarHBondContact O-OE1 3.14Å; W61-Q65 VanDerWaalsContact O-OE1 3.14Å; P62-Q65 PolarHBondContact O-N 2.83Å; P62-Q65 VanDerWaalsContact O-N 3.16Å; P62-Q65 PolarHBondContact O-OE1 3.32Å; A63-Q65 PolarHBondContact O-N 3.12Å
66K98.6Very high98.6Very high86 Ų8649.4 Ų49.437%0.37427%0.266SS..Hα-helixtrans-96.7-40.8-173.8-66.6173.665.5-171.20113.6P62 A63 S68 Y71 D145P62-K66 HydrophobicContact CB-CD 3.76Å; P62-K66 VanDerWaalsContact O-CB 3.32Å; P62-K66 WeakPolarHBondContact O-CB 3.23Å; P62-K66 VanDerWaalsContact O-CG 3.28Å; P62-K66 WeakPolarHBondContact O-CG 3.48Å; P62-K66 PolarHBondContact O-N 3.36Å; A63-K66 PolarHBondContact O-N 2.93Å; K66-S68 PolarHBondContact O-N 2.87Å; K66-Y71 HydrophobicContact CB-CD2 4.42Å; K66-Y71 HydrophobicContact CB-CE1 4.48Å; K66-Y71 HydrophobicContact CB-CE2 4.27Å; K66-Y71 VanDerWaalsContact CE-CE2 3.48Å; K66-Y71 WeakPolarHBondContact CE-OH 3.48Å; K66-Y71 PolarHBondContact NZ-OH 3.23Å; K66-Y71 WeakPolarHBondContact O-CB 3.17Å; K66-D145 IonicContact NZ-OD1 3.58Å; K66-D145 PolarHBondContact NZ-OD1 2.84Å; K66-D145 IonicContact NZ-OD2 3.2Å
67W98.8Very high98.6Very high13 Ų1345.5 Ų45.55%0.04925%0.246CC..  trans-71.7118.4-166.4-73.512.3000111.6A63 Y71 F72 L142 D145 L146 F166 V189 I286 V288A63-W67 HydrophobicContact CB-CD2 3.54Å; A63-W67 HydrophobicContact CB-CE3 4.06Å; A63-W67 HydrophobicContact CB-CG 3.77Å; A63-W67 HydrophobicContact CB-CZ2 4.07Å; A63-W67 VanDerWaalsContact O-CB 3.23Å; A63-W67 WeakPolarHBondContact O-CB 3.32Å; A63-W67 PolarHBondContact O-N 3.04Å; W67-Y71 AromaticContact CD1-CD1 3.79Å; W67-Y71 AromaticContact CD1-CE1 3.53Å; W67-Y71 AromaticContact NE1-CE1 3.83Å; W67-F72 HydrophobicContact CB-CE1 4.06Å; W67-F72 HydrophobicContact CB-CZ 3.9Å; W67-F72 AromaticContact CD1-CE1 3.88Å; W67-F72 AromaticContact CD2-CE1 3.59Å; W67-F72 HydrophobicContact CD2-CE1 3.59Å; W67-F72 AromaticContact CD2-CZ 3.55Å; W67-F72 HydrophobicContact CD2-CZ 3.55Å; W67-F72 AromaticContact CE2-CE1 3.9Å; W67-F72 HydrophobicContact CE3-CE1 4.06Å; W67-F72 AromaticContact CE3-CZ 3.55Å; W67-F72 HydrophobicContact CE3-CZ 3.55Å; W67-F72 AromaticContact CG-CE1 3.6Å; W67-F72 HydrophobicContact CG-CE1 3.6Å; W67-F72 AromaticContact CG-CZ 3.74Å; W67-F72 HydrophobicContact CG-CZ 3.74Å; W67-F72 HydrophobicContact CZ3-CZ 4.15Å; W67-L142 HydrophobicContact CH2-CB 4.42Å; W67-L142 HydrophobicContact CH2-CD1 4.36Å; W67-L142 HydrophobicContact CZ2-CB 3.79Å; W67-L142 HydrophobicContact CZ2-CD1 4.18Å; W67-L142 HydrophobicContact CZ2-CG 4.4Å; W67-D145 HydrophobicContact CZ2-CB 4.18Å; W67-D145 VanDerWaalsContact NE1-CB 3.32Å; W67-D145 PolarHBondContact NE1-OD2 2.85Å; W67-L146 HydrophobicContact CH2-CD2 3.33Å; W67-L146 HydrophobicContact CH2-CG 4.5Å; W67-L146 HydrophobicContact CZ2-CD2 3.66Å; W67-L146 HydrophobicContact CZ2-CG 4.44Å; W67-L146 HydrophobicContact CZ3-CD2 4.14Å; W67-F166 HydrophobicContact CE3-CE2 4.43Å; W67-F166 HydrophobicContact CH2-CD2 4.16Å; W67-F166 HydrophobicContact CH2-CE2 4.24Å; W67-F166 AromaticContact CZ3-CD2 3.98Å; W67-F166 HydrophobicContact CZ3-CD2 3.98Å; W67-F166 AromaticContact CZ3-CE2 3.8Å; W67-F166 HydrophobicContact CZ3-CE2 3.8Å; W67-V189 HydrophobicContact CB-CG1 3.88Å; W67-V189 HydrophobicContact CD2-CG1 4.26Å; W67-V189 HydrophobicContact CE3-CB 4.13Å; W67-V189 HydrophobicContact CE3-CG1 3.85Å; W67-V189 HydrophobicContact CE3-CG2 4.03Å; W67-V189 HydrophobicContact CG-CG1 4.31Å; W67-V189 HydrophobicContact CZ3-CG2 4.24Å; W67-I286 HydrophobicContact CE3-CG2 3.59Å; W67-I286 HydrophobicContact CZ3-CG2 3.97Å; W67-V288 HydrophobicContact CH2-CG2 3.82Å; W67-V288 HydrophobicContact CZ3-CG2 3.6Å
68S98.8Very high98.6Very high47 Ų4750.4 Ų50.433%0.32928%0.28SS..SBendtrans-154.7160.6178.260.20000107.6K66 P70 Y71 F72K66-S68 PolarHBondContact O-N 2.87Å; S68-P70 VanDerWaalsContact C-N 3.31Å; S68-Y71 WeakPolarHBondContact O-CB 3.28Å; S68-Y71 PolarHBondContact O-N 2.91Å; S68-Y71 WeakPolarHBondContact OG-CB 3.33Å; S68-Y71 PolarHBondContact OG-N 3.28Å; S68-F72 PolarHBondContact O-N 2.97Å
69L98.6Very high98.6Very high34 Ų3451.5 Ų51.518%0.17829%0.287CS..Hα-helixtrans-56-41.9177.3-50-174.3000112.1Y71 F72 R73 L113 L116 E117 L168 I286L69-Y71 PolarHBondContact O-N 2.95Å; L69-F72 PolarHBondContact O-N 2.89Å; L69-R73 WeakPolarHBondContact O-CB 3.26Å; L69-R73 PolarHBondContact O-N 3.39Å; L69-L113 HydrophobicContact CB-CD2 4.09Å; L69-L113 HydrophobicContact CD2-CD2 3.74Å; L69-L113 HydrophobicContact CG-CD2 4.39Å; L69-L116 HydrophobicContact CD1-CB 4.42Å; L69-E117 HydrophobicContact CD1-CG 3.87Å; L69-L168 HydrophobicContact CD2-CD1 3.96Å; L69-I286 HydrophobicContact CD2-CD1 4.4Å
70P98.6Very high98.6Very high82 Ų8250.9 Ų50.953%0.53228%0.284SS..Hα-helixtrans-62.5-39.5173.6-25.136.3000114S68 R73 A74S68-P70 VanDerWaalsContact C-N 3.31Å; P70-R73 PolarHBondContact O-N 3.12Å; P70-A74 PolarHBondContact O-N 2.86Å
71Y98.8Very high98.6Very high46 Ų4646 Ų4618%0.1826%0.261CS..Hα-helixtrans-61.8-49.1175.8175.3-100.3000110.9K66 W67 S68 L69 R73 A74 T75 L142 D145K66-Y71 HydrophobicContact CB-CD2 4.42Å; K66-Y71 HydrophobicContact CB-CE1 4.48Å; K66-Y71 HydrophobicContact CB-CE2 4.27Å; K66-Y71 VanDerWaalsContact CE-CE2 3.48Å; K66-Y71 WeakPolarHBondContact CE-OH 3.48Å; K66-Y71 PolarHBondContact NZ-OH 3.23Å; K66-Y71 WeakPolarHBondContact O-CB 3.17Å; W67-Y71 AromaticContact CD1-CD1 3.79Å; W67-Y71 AromaticContact CD1-CE1 3.53Å; W67-Y71 AromaticContact NE1-CE1 3.83Å; S68-Y71 WeakPolarHBondContact O-CB 3.28Å; S68-Y71 PolarHBondContact O-N 2.91Å; S68-Y71 WeakPolarHBondContact OG-CB 3.33Å; S68-Y71 PolarHBondContact OG-N 3.28Å; L69-Y71 PolarHBondContact O-N 2.95Å; Y71-R73 VanDerWaalsContact C-N 3.3Å; Y71-R73 PolarHBondContact O-N 3.08Å; Y71-A74 PolarHBondContact O-N 3.4Å; Y71-A74 VanDerWaalsContact O-N 3.1Å; Y71-T75 HydrophobicContact CE1-CG2 4.48Å; Y71-T75 WeakPolarHBondContact CE2-OG1 3.47Å; Y71-T75 WeakPolarHBondContact O-CB 3.44Å; Y71-T75 PolarHBondContact O-N 3.2Å; Y71-T75 PolarHBondContact O-OG1 3.16Å; Y71-T75 VanDerWaalsContact O-OG1 3.07Å; Y71-L142 HydrophobicContact CE1-CD2 4.15Å; Y71-D145 WeakPolarHBondContact CE1-OD2 3.43Å; Y71-D145 PolarHBondContact OH-OD2 3.24Å
72F98.8Very high98.6Very high0 Ų046.4 Ų46.40%027%0.265CS..Hα-helixtrans-60.1-40.6176.6-67.8-26.7000112.6W67 S68 L69 A74 T75 V76 G77 L109 L113 L142 F166 I286W67-F72 HydrophobicContact CB-CE1 4.06Å; W67-F72 HydrophobicContact CB-CZ 3.9Å; W67-F72 AromaticContact CD1-CE1 3.88Å; W67-F72 AromaticContact CD2-CE1 3.59Å; W67-F72 HydrophobicContact CD2-CE1 3.59Å; W67-F72 AromaticContact CD2-CZ 3.55Å; W67-F72 HydrophobicContact CD2-CZ 3.55Å; W67-F72 AromaticContact CE2-CE1 3.9Å; W67-F72 HydrophobicContact CE3-CE1 4.06Å; W67-F72 AromaticContact CE3-CZ 3.55Å; W67-F72 HydrophobicContact CE3-CZ 3.55Å; W67-F72 AromaticContact CG-CE1 3.6Å; W67-F72 HydrophobicContact CG-CE1 3.6Å; W67-F72 AromaticContact CG-CZ 3.74Å; W67-F72 HydrophobicContact CG-CZ 3.74Å; W67-F72 HydrophobicContact CZ3-CZ 4.15Å; S68-F72 PolarHBondContact O-N 2.97Å; L69-F72 PolarHBondContact O-N 2.89Å; F72-A74 VanDerWaalsContact C-N 3.29Å; F72-A74 PolarHBondContact O-N 2.94Å; F72-T75 PolarHBondContact O-N 3.11Å; F72-V76 HydrophobicContact CB-CG2 4.22Å; F72-V76 HydrophobicContact CD1-CG2 4.29Å; F72-V76 CarbonylContact O-C 3.43Å; F72-V76 WeakPolarHBondContact O-CA 3.43Å; F72-V76 WeakPolarHBondContact O-CG2 3.4Å; F72-V76 PolarHBondContact O-N 2.84Å; F72-G77 PolarHBondContact O-N 2.86Å; F72-L109 HydrophobicContact CB-CD2 4.12Å; F72-L113 HydrophobicContact CB-CD1 4.01Å; F72-L142 HydrophobicContact CD1-CD1 4.19Å; F72-L142 HydrophobicContact CD1-CD2 4.05Å; F72-L142 HydrophobicContact CE1-CD1 3.8Å; F72-L142 HydrophobicContact CE1-CD2 3.98Å; F72-L142 HydrophobicContact CZ-CD1 4.44Å; F72-F166 HydrophobicContact CD2-CZ 4.45Å; F72-F166 HydrophobicContact CE2-CE2 4.01Å; F72-F166 AromaticContact CE2-CZ 3.74Å; F72-F166 HydrophobicContact CE2-CZ 3.74Å; F72-F166 AromaticContact CZ-CE2 3.72Å; F72-F166 HydrophobicContact CZ-CE2 3.72Å; F72-F166 AromaticContact CZ-CZ 3.93Å; F72-F166 HydrophobicContact CZ-CZ 3.93Å; F72-I286 HydrophobicContact CD2-CD1 4.17Å; F72-I286 HydrophobicContact CE2-CB 4.47Å; F72-I286 HydrophobicContact CE2-CD1 3.41Å; F72-I286 VanDerWaalsContact CE2-CD1 3.41Å; F72-I286 HydrophobicContact CE2-CG1 3.83Å; F72-I286 HydrophobicContact CE2-CG2 3.79Å; F72-I286 HydrophobicContact CZ-CD1 4.03Å; F72-I286 HydrophobicContact CZ-CG2 3.77Å
73R98.7Very high98.6Very high62 Ų6244.1 Ų44.123%0.23425%0.25CS..Hα-helixtrans-58.4-42.4175.2-171177.3-65.9-84.85.1111.9L69 P70 Y71 G77 S110 L113 D114 E117L69-R73 WeakPolarHBondContact O-CB 3.26Å; L69-R73 PolarHBondContact O-N 3.39Å; P70-R73 PolarHBondContact O-N 3.12Å; Y71-R73 VanDerWaalsContact C-N 3.3Å; Y71-R73 PolarHBondContact O-N 3.08Å; R73-G77 WeakPolarHBondContact O-CA 3.35Å; R73-G77 PolarHBondContact O-N 3.05Å; R73-S110 PolarHBondContact NH1-O 2.93Å; R73-L113 HydrophobicContact CB-CD1 3.76Å; R73-D114 IonicContact CZ-OD1 2.73Å; R73-D114 IonicContact NH1-OD1 3.67Å; R73-D114 PolarHBondContact NH1-OD1 3.33Å; R73-D114 IonicContact NH1-OD2 3.66Å; R73-D114 IonicContact NH2-OD1 3.26Å; R73-D114 PolarHBondContact NH2-OD1 3.43Å; R73-E117 IonicContact CZ-OE2 2.85Å; R73-E117 IonicContact NE-OE2 3.79Å; R73-E117 IonicContact NH2-OE2 3.72Å; R73-E117 PolarHBondContact NH2-OE2 3.21Å
74A98.7Very high98.5Very high90 Ų9044.6 Ų44.674%0.74425%0.254SS*.Hα-helixtrans-75.1-34.5-179.700000113.3P70 Y71 F72P70-A74 PolarHBondContact O-N 2.86Å; Y71-A74 PolarHBondContact O-N 3.4Å; Y71-A74 VanDerWaalsContact O-N 3.1Å; F72-A74 VanDerWaalsContact C-N 3.29Å; F72-A74 PolarHBondContact O-N 2.94Å
75T98.6Very high98.5Very high57 Ų5742.1 Ų42.135%0.3524%0.241SC..Hα-helixtrans-93.6-42.6-171.5-56.50000113.3Y71 F72 L142Y71-T75 HydrophobicContact CE1-CG2 4.48Å; Y71-T75 WeakPolarHBondContact CE2-OG1 3.47Å; Y71-T75 WeakPolarHBondContact O-CB 3.44Å; Y71-T75 PolarHBondContact O-N 3.2Å; Y71-T75 PolarHBondContact O-OG1 3.16Å; Y71-T75 VanDerWaalsContact O-OG1 3.07Å; F72-T75 PolarHBondContact O-N 3.11Å; T75-L142 HydrophobicContact CG2-CD2 4.35Å
76V98.6Very high98.5Very high0 Ų036.1 Ų36.10%021%0.214CC..Hα-helixtrans-135.517.7-173-76.30000112.6F72 S78 T79 L109 L139 Q141 L142F72-V76 HydrophobicContact CB-CG2 4.22Å; F72-V76 HydrophobicContact CD1-CG2 4.29Å; F72-V76 CarbonylContact O-C 3.43Å; F72-V76 WeakPolarHBondContact O-CA 3.43Å; F72-V76 WeakPolarHBondContact O-CG2 3.4Å; F72-V76 PolarHBondContact O-N 2.84Å; V76-S78 VanDerWaalsContact C-N 3.28Å; V76-S78 PolarHBondContact O-N 3.27Å; V76-T79 VanDerWaalsContact O-CB 3.28Å; V76-T79 WeakPolarHBondContact O-CB 3.15Å; V76-T79 PolarHBondContact O-N 3.24Å; V76-T79 PolarHBondContact O-OG1 2.85Å; V76-L109 HydrophobicContact CB-CD2 4.31Å; V76-L109 HydrophobicContact CG2-CD2 3.61Å; V76-L139 HydrophobicContact CB-CD2 4.07Å; V76-L139 HydrophobicContact CG1-CD2 4.25Å; V76-L139 HydrophobicContact CG2-CD2 4.26Å; V76-Q141 HydrophobicContact CG1-CB 3.8Å; V76-Q141 HydrophobicContact CG1-CG 4.26Å; V76-L142 HydrophobicContact CG1-CD2 4.25Å; V76-L142 HydrophobicContact CG1-CG 4.25Å; V76-L142 HydrophobicContact CG2-CD1 4.27Å; V76-L142 HydrophobicContact CG2-CD2 4Å; V76-L142 HydrophobicContact CG2-CG 4.26Å
77G98.4Very high98.5Very high4 Ų434.5 Ų34.54%0.04121%0.212CC..THydrogen-bonded Turntrans-62-32.4-174.800000114.2F72 R73 T79 L109 S110F72-G77 PolarHBondContact O-N 2.86Å; R73-G77 WeakPolarHBondContact O-CA 3.35Å; R73-G77 PolarHBondContact O-N 3.05Å; G77-T79 VanDerWaalsContact C-N 3.34Å; G77-L109 PolarHBondContact O-N 3.45Å; G77-S110 WeakPolarHBondContact O-CB 3.34Å; G77-S110 PolarHBondContact O-N 3.04Å; G77-S110 PolarHBondContact O-OG 3.01Å
78S98.4Very high98.5Very high108 Ų10836.8 Ų36.876%0.75523%0.225SC*.THydrogen-bonded Turntrans-86-2.9176.260.10000113.8V76V76-S78 VanDerWaalsContact C-N 3.28Å; V76-S78 PolarHBondContact O-N 3.27Å
79T98.6Very high98.5Very high25 Ų2534.7 Ų34.715%0.15321%0.211CC..  trans-75.5128.2-178.5-57.30000110.1V76 G77 V81 P108 L109 E138 L139V76-T79 VanDerWaalsContact O-CB 3.28Å; V76-T79 WeakPolarHBondContact O-CB 3.15Å; V76-T79 PolarHBondContact O-N 3.24Å; V76-T79 PolarHBondContact O-OG1 2.85Å; G77-T79 VanDerWaalsContact C-N 3.34Å; T79-V81 PolarHBondContact O-N 2.89Å; T79-P108 WeakPolarHBondContact O-CA 3.33Å; T79-L109 PolarHBondContact O-N 3.26Å; T79-E138 WeakPolarHBondContact CG2-O 3.1Å; T79-L139 HydrophobicContact CG2-CD2 4.05Å
80E98.3Very high98.5Very high74 Ų7435.6 Ų35.635%0.34621%0.212SC..EExtended strand (participates in β ladder)trans-78113.9177.4-72.6-72.514700111.3R106 V107 P108E80-R106 PolarHBondContact O-NH2 3.43Å; E80-R106 VanDerWaalsContact OE2-C 3.23Å; E80-V107 WeakPolarHBondContact CA-O 3.39Å; E80-V107 WeakPolarHBondContact OE2-CA 3.48Å; E80-V107 PolarHBondContact OE2-N 3.14Å; E80-V107 VanDerWaalsContact OE2-N 3.14Å; E80-P108 WeakPolarHBondContact OE1-CD 3.45Å; E80-P108 WeakPolarHBondContact OE1-CG 3.27Å
81V98.3Very high98.4Very high0 Ų032 Ų320%019%0.189CC..EExtended strand (participates in β ladder)trans-112.7153-179.5-64.10000111.5T79 V83 R106 V107 L109 V128 L139T79-V81 PolarHBondContact O-N 2.89Å; V81-V83 HydrophobicContact CG2-CG2 3.88Å; V81-R106 WeakPolarHBondContact O-CA 3.43Å; V81-V107 PolarHBondContact N-O 2.74Å; V81-V107 PolarHBondContact O-N 3.04Å; V81-L109 HydrophobicContact CG2-CB 4.38Å; V81-L109 HydrophobicContact CG2-CD1 4.08Å; V81-V128 HydrophobicContact CG2-CG2 4.35Å; V81-L139 HydrophobicContact CG1-CD1 4.28Å; V81-L139 HydrophobicContact CG1-CD2 3.78Å; V81-L139 HydrophobicContact CG1-CG 4.03Å
82S98.3Very high98.3Very high12 Ų1231.8 Ų31.88%0.08419%0.191CC..EExtended strand (participates in β ladder)trans-74.7122.9169-83.10000110.5K130 E138S82-K130 PolarHBondContact OG-NZ 2.9Å; S82-E138 PolarHBondContact N-OE2 2.87Å; S82-E138 PolarHBondContact OG-OE1 3.1Å
83V98.3Very high98.3Very high3 Ų331.9 Ų31.92%0.01819%0.192CC..EExtended strand (participates in β ladder)trans-120.6128.5-179.6-173.20000109.4V81 V85 R105 V107 V112 L126 V128V81-V83 HydrophobicContact CG2-CG2 3.88Å; V83-V85 HydrophobicContact CG1-CG2 4.44Å; V83-R105 PolarHBondContact N-O 2.64Å; V83-R105 PolarHBondContact O-N 2.66Å; V83-V107 HydrophobicContact CB-CG2 4.24Å; V83-V107 HydrophobicContact CG2-CG2 3.45Å; V83-V107 VanDerWaalsContact CG2-CG2 3.45Å; V83-V112 HydrophobicContact CG1-CG2 4.49Å; V83-V112 HydrophobicContact CG2-CG2 3.68Å; V83-L126 HydrophobicContact CG1-CB 4.06Å; V83-L126 HydrophobicContact CG1-CD2 4.09Å; V83-V128 HydrophobicContact CG2-CG2 4.25Å
84A98.4Very high98.3Very high9 Ų930 Ų307%0.07419%0.187CC..EExtended strand (participates in β ladder)trans-79.2133.6168.100000109.4P102 Y127 Q129A84-P102 HydrophobicContact CB-CB 3.7Å; A84-P102 HydrophobicContact CB-CG 3.88Å; A84-Y127 WeakPolarHBondContact CB-O 3.32Å; A84-Y127 PolarHBondContact N-O 3.21Å; A84-Y127 PolarHBondContact O-N 3.24Å; A84-Q129 HydrophobicContact CB-CG 3.54Å
85V98.4Very high98.2Very high2 Ų229.3 Ų29.31%0.01217%0.165CC..EExtended strand (participates in β ladder)trans-126.1125.9-178.9-173.40000109V83 A103 R105 H122 V125 L126 L218 F224V83-V85 HydrophobicContact CG1-CG2 4.44Å; V85-A103 HydrophobicContact CB-CB 4.26Å; V85-A103 PolarHBondContact N-O 3Å; V85-A103 PolarHBondContact O-N 2.89Å; V85-R105 HydrophobicContact CG2-CB 4.34Å; V85-R105 HydrophobicContact CG2-CG 4.08Å; V85-H122 VanDerWaalsContact CG1-CE1 3.42Å; V85-H122 WeakPolarHBondContact CG1-CE1 3.37Å; V85-V125 WeakPolarHBondContact CA-O 3.4Å; V85-L126 HydrophobicContact CB-CD2 4.36Å; V85-L126 HydrophobicContact CG1-CD2 4.11Å; V85-L126 HydrophobicContact CG2-CD2 3.69Å; V85-L218 HydrophobicContact CG1-CD2 4.5Å; V85-F224 HydrophobicContact CG1-CE1 3.82Å; V85-F224 HydrophobicContact CG1-CZ 3.73Å
86T98.6Very high98.1Very high5 Ų530 Ų303%0.03118%0.184CC..EExtended strand (participates in β ladder)trans-135152.3179.957.20000110.9D88 G89 A91 P102 G124 V125 Y216T86-D88 VanDerWaalsContact C-N 3.29Å; T86-D88 PolarHBondContact O-N 3.03Å; T86-G89 WeakPolarHBondContact OG1-CA 3.49Å; T86-G89 PolarHBondContact OG1-N 3.2Å; T86-A91 HydrophobicContact CG2-CB 4.03Å; T86-P102 HydrophobicContact CG2-CB 3.8Å; T86-G124 CarbonylContact O-C 3.55Å; T86-G124 VanDerWaalsContact O-CA 3.25Å; T86-G124 WeakPolarHBondContact O-CA 3.22Å; T86-V125 PolarHBondContact N-O 3.36Å; T86-V125 VanDerWaalsContact N-O 3.11Å; T86-V125 PolarHBondContact O-N 3.4Å; T86-Y216 HydrophobicContact CG2-CD2 4.26Å; T86-Y216 HydrophobicContact CG2-CE2 4.39Å
87P98.3Very high98Very high52 Ų5235.1 Ų35.134%0.33821%0.212SC..SBendtrans-68.2-29.4178.125.6-33000113.2Y216 F224P87-Y216 HydrophobicContact CG-CD1 4.28Å; P87-Y216 HydrophobicContact CG-CE1 3.66Å; P87-Y216 HydrophobicContact CG-CE2 4.1Å; P87-F224 HydrophobicContact CB-CB 4.2Å; P87-F224 HydrophobicContact CB-CD1 4.43Å; P87-F224 HydrophobicContact CB-CD2 3.66Å; P87-F224 HydrophobicContact CB-CE2 4.1Å; P87-F224 HydrophobicContact CB-CG 3.84Å; P87-F224 HydrophobicContact CG-CB 4.32Å; P87-F224 HydrophobicContact CG-CD1 4.47Å; P87-F224 HydrophobicContact CG-CD2 4.48Å; P87-F224 HydrophobicContact CG-CG 4.18Å
88D97.9Very high98Very high60 Ų6037.6 Ų37.632%0.32122%0.219SC..SBendtrans-128.20.7-167.363.9-9.9000113.9T86 Y90 R95T86-D88 VanDerWaalsContact C-N 3.29Å; T86-D88 PolarHBondContact O-N 3.03Å; D88-Y90 WeakPolarHBondContact O-CD2 3.44Å; D88-Y90 PolarHBondContact OD1-N 2.84Å; D88-R95 IonicContact OD2-CZ 2.86Å; D88-R95 VanDerWaalsContact OD2-CZ 3.24Å; D88-R95 IonicContact OD2-NE 3.56Å; D88-R95 PolarHBondContact OD2-NE 2.86Å; D88-R95 IonicContact OD2-NH2 3.75Å; D88-R95 PolarHBondContact OD2-NH2 2.81Å
89G98.2Very high98Very high3 Ų333 Ų333%0.03119%0.186CC..SBendtrans92.6-3179.600000115.4T86 A172 A173 V174T86-G89 WeakPolarHBondContact OG1-CA 3.49Å; T86-G89 PolarHBondContact OG1-N 3.2Å; G89-A172 WeakPolarHBondContact CA-O 3.35Å; G89-A173 CarbonylContact O-C 3.49Å; G89-A173 WeakPolarHBondContact O-CA 3.43Å; G89-V174 PolarHBondContact O-N 2.79Å
90Y98.3Very high98Very high53 Ų5331.8 Ų31.821%0.20818%0.179CC..EExtended strand (participates in β ladder)trans-105.795.4-177.1-69.2-103.8000110.9D88 V174D88-Y90 WeakPolarHBondContact O-CD2 3.44Å; D88-Y90 PolarHBondContact OD1-N 2.84Å; Y90-V174 HydrophobicContact CD1-CB 4.01Å; Y90-V174 HydrophobicContact CD1-CG1 4.03Å; Y90-V174 HydrophobicContact CE1-CB 3.77Å; Y90-V174 HydrophobicContact CE1-CG1 3.55Å; Y90-V174 HydrophobicContact CE1-CG2 4.44Å; Y90-V174 HydrophobicContact CE2-CB 4.39Å; Y90-V174 HydrophobicContact CG-CB 4.44Å
91A97Very high98Very high6 Ų630.3 Ų30.35%0.0517%0.172CC..EExtended strand (participates in β ladder)trans-77.1149.8165.900000109.9T86 A93 P102T86-A91 HydrophobicContact CG2-CB 4.03Å; A91-A93 PolarHBondContact O-N 2.97Å; A91-P102 HydrophobicContact CB-CB 3.87Å; A91-P102 HydrophobicContact CB-CG 3.9Å
92D97.8Very high98Very high43 Ų4330.8 Ų30.823%0.2318%0.175CC..SBendtrans52.157.5173-53.5-55.2000111.3F99 V100 P102 S176 W237D92-F99 VanDerWaalsContact C-CE2 3.4Å; D92-F99 HydrophobicContact CB-CE2 3.99Å; D92-F99 HydrophobicContact CB-CZ 3.78Å; D92-V100 WeakPolarHBondContact CA-O 3.39Å; D92-V100 PolarHBondContact N-O 3.17Å; D92-P102 WeakPolarHBondContact OD1-CD 3.37Å; D92-S176 PolarHBondContact O-OG 3.2Å; D92-W237 HydrophobicContact CB-CZ2 4.33Å; D92-W237 WeakPolarHBondContact O-CZ2 3.42Å; D92-W237 PolarHBondContact O-NE1 2.86Å
93A98.3Very high98Very high2 Ų230.3 Ų30.32%0.01717%0.172CC..EExtended strand (participates in β ladder)trans-138.6154.1-174.300000111.6A91 R95 V100A91-A93 PolarHBondContact O-N 2.97Å; A93-R95 PolarHBondContact O-N 2.96Å; A93-V100 PolarHBondContact N-O 2.82Å; A93-V100 PolarHBondContact O-N 2.8Å
94V98.3Very high97.9Very high21 Ų2136 Ų3613%0.12720%0.199CC..EExtended strand (participates in β ladder)trans-71.6129.7173.2177.90000109.7R98 Y211 W237 P239V94-R98 CarbonylContact C-O 3.23Å; V94-R98 VanDerWaalsContact CA-O 3.31Å; V94-R98 WeakPolarHBondContact CA-O 3.15Å; V94-Y211 HydrophobicContact CB-CE2 4.47Å; V94-Y211 HydrophobicContact CG1-CD1 3.99Å; V94-Y211 HydrophobicContact CG1-CE1 3.44Å; V94-Y211 VanDerWaalsContact CG1-CE1 3.44Å; V94-Y211 HydrophobicContact CG1-CE2 4.11Å; V94-Y211 HydrophobicContact CG2-CD1 4.45Å; V94-Y211 HydrophobicContact CG2-CD2 3.7Å; V94-Y211 HydrophobicContact CG2-CE1 4.27Å; V94-Y211 HydrophobicContact CG2-CE2 3.47Å; V94-Y211 VanDerWaalsContact CG2-CE2 3.47Å; V94-Y211 HydrophobicContact CG2-CG 4.2Å; V94-W237 HydrophobicContact CG2-CB 4.06Å; V94-W237 HydrophobicContact CG2-CG 4.37Å; V94-P239 HydrophobicContact CG1-CB 4.44Å; V94-P239 HydrophobicContact CG2-CB 4.39Å
95R97.8Very high97.8Very high76 Ų7640.6 Ų40.629%0.28721%0.214SC..EExtended strand (participates in β ladder)trans-134.3109.2174.7-67.4-68.3178.5-98.818.9109.1D88 A93 D97 R98 V100D88-R95 IonicContact OD2-CZ 2.86Å; D88-R95 VanDerWaalsContact OD2-CZ 3.24Å; D88-R95 IonicContact OD2-NE 3.56Å; D88-R95 PolarHBondContact OD2-NE 2.86Å; D88-R95 IonicContact OD2-NH2 3.75Å; D88-R95 PolarHBondContact OD2-NH2 2.81Å; A93-R95 PolarHBondContact O-N 2.96Å; R95-D97 PolarHBondContact O-N 3.22Å; R95-R98 PolarHBondContact N-O 2.99Å; R95-R98 PolarHBondContact O-N 2.82Å; R95-R98 VanDerWaalsContact O-N 3.17Å; R95-V100 HydrophobicContact CB-CG2 3.8Å; R95-V100 HydrophobicContact CG-CG2 4.25Å
96G96Very high97.7Very high72 Ų7248.2 Ų48.274%0.74224%0.242SC*.THydrogen-bonded Turntrans62.4-115.7-170.900000110.6
97D96.8Very high97.7Very high108 Ų10849.3 Ų49.358%0.57825%0.249SC*.THydrogen-bonded Turntrans-109.120.1-179.266.2-20.5000112.7R95R95-D97 PolarHBondContact O-N 3.22Å
98R98.3Very high97.7Very high55 Ų5548.9 Ų48.921%0.20825%0.247CC..EExtended strand (participates in β ladder)trans-124.6151.1177.9-62.7-62.3-176-80.4-4112.1V94 R95 V100 T212 A214 D228V94-R98 CarbonylContact C-O 3.23Å; V94-R98 VanDerWaalsContact CA-O 3.31Å; V94-R98 WeakPolarHBondContact CA-O 3.15Å; R95-R98 PolarHBondContact N-O 2.99Å; R95-R98 PolarHBondContact O-N 2.82Å; R95-R98 VanDerWaalsContact O-N 3.17Å; R98-V100 HydrophobicContact CB-CG2 3.77Å; R98-T212 WeakPolarHBondContact CA-O 3.33Å; R98-T212 VanDerWaalsContact CD-O 3.3Å; R98-T212 WeakPolarHBondContact CD-O 3.48Å; R98-A214 HydrophobicContact CB-CB 4.28Å; R98-A214 HydrophobicContact CG-CB 4.37Å; R98-D228 WeakPolarHBondContact CD-OD1 3.34Å; R98-D228 IonicContact CZ-OD1 3.25Å; R98-D228 IonicContact CZ-OD2 3.5Å; R98-D228 IonicContact NE-OD1 3.64Å; R98-D228 PolarHBondContact NE-OD1 2.96Å; R98-D228 IonicContact NE-OD2 3.93Å; R98-D228 PolarHBondContact NE-OD2 3.49Å; R98-D228 IonicContact NH2-OD1 3.21Å; R98-D228 IonicContact NH2-OD2 3.15Å; R98-D228 PolarHBondContact NH2-OD2 3.44Å
99F98.6Very high97.7Very high11 Ų1146 Ų465%0.04823%0.231CC..EExtended strand (participates in β ladder)trans-93.6115.1160.1166.9-98.7000106.6D92 M101 Y211 T212 P213 A214 V235 W237D92-F99 VanDerWaalsContact C-CE2 3.4Å; D92-F99 HydrophobicContact CB-CE2 3.99Å; D92-F99 HydrophobicContact CB-CZ 3.78Å; F99-M101 HydrophobicContact CD1-CG 4.28Å; F99-M101 HydrophobicContact CE1-CG 3.59Å; F99-M101 HydrophobicContact CE1-SD 4.38Å; F99-M101 HydrophobicContact CZ-CG 4.29Å; F99-Y211 HydrophobicContact CB-CG 4.41Å; F99-T212 PolarHBondContact N-O 3Å; F99-T212 VanDerWaalsContact N-O 3.1Å; F99-P213 HydrophobicContact CD1-CB 4.48Å; F99-P213 CarbonylContact O-C 3.55Å; F99-P213 WeakPolarHBondContact O-CA 3.38Å; F99-A214 PolarHBondContact O-N 3.05Å; F99-V235 HydrophobicContact CD1-CB 4.22Å; F99-V235 HydrophobicContact CD1-CG1 4.27Å; F99-V235 HydrophobicContact CD1-CG2 4.31Å; F99-V235 HydrophobicContact CE1-CG1 4.43Å; F99-V235 HydrophobicContact CG-CB 4.45Å; F99-V235 HydrophobicContact CG-CG1 4.45Å; F99-W237 HydrophobicContact CD2-CB 3.96Å; F99-W237 AromaticContact CD2-CD2 3.7Å; F99-W237 HydrophobicContact CD2-CD2 3.7Å; F99-W237 HydrophobicContact CD2-CE3 4.12Å; F99-W237 AromaticContact CD2-CG 3.61Å; F99-W237 HydrophobicContact CD2-CG 3.61Å; F99-W237 AromaticContact CE2-CD2 3.37Å; F99-W237 HydrophobicContact CE2-CD2 3.37Å; F99-W237 AromaticContact CE2-CE2 3.53Å; F99-W237 AromaticContact CE2-CE3 3.62Å; F99-W237 HydrophobicContact CE2-CE3 3.62Å; F99-W237 AromaticContact CE2-CG 3.81Å; F99-W237 HydrophobicContact CE2-CG 3.81Å; F99-W237 HydrophobicContact CE2-CH2 4.1Å; F99-W237 AromaticContact CE2-CZ2 3.9Å; F99-W237 HydrophobicContact CE2-CZ2 3.9Å; F99-W237 AromaticContact CE2-CZ3 3.98Å; F99-W237 HydrophobicContact CE2-CZ3 3.98Å; F99-W237 AromaticContact CE2-NE1 4Å; F99-W237 HydrophobicContact CZ-CD2 4.32Å; F99-W237 HydrophobicContact CZ-CE3 4.15Å; F99-W237 HydrophobicContact CZ-CH2 4.33Å; F99-W237 HydrophobicContact CZ-CZ3 4.15Å
100V98.5Very high97.7Very high1 Ų147.4 Ų47.41%0.00624%0.24CC..EExtended strand (participates in β ladder)trans-109.6116.2-170.6-1680000110.5D92 A93 R95 R98 A214 Y216 V226D92-V100 WeakPolarHBondContact CA-O 3.39Å; D92-V100 PolarHBondContact N-O 3.17Å; A93-V100 PolarHBondContact N-O 2.82Å; A93-V100 PolarHBondContact O-N 2.8Å; R95-V100 HydrophobicContact CB-CG2 3.8Å; R95-V100 HydrophobicContact CG-CG2 4.25Å; R98-V100 HydrophobicContact CB-CG2 3.77Å; V100-A214 CarbonylContact C-O 3.5Å; V100-A214 WeakPolarHBondContact CA-O 3.37Å; V100-A214 HydrophobicContact CG2-CB 4.44Å; V100-Y216 HydrophobicContact CB-CE2 4.15Å; V100-Y216 HydrophobicContact CG1-CD1 3.97Å; V100-Y216 HydrophobicContact CG1-CD2 3.51Å; V100-Y216 HydrophobicContact CG1-CE1 3.91Å; V100-Y216 HydrophobicContact CG1-CE2 3.46Å; V100-Y216 VanDerWaalsContact CG1-CE2 3.46Å; V100-Y216 HydrophobicContact CG1-CG 3.78Å; V100-V226 HydrophobicContact CG1-CG1 4.33Å; V100-V226 HydrophobicContact CG1-CG2 4.38Å; V100-V226 HydrophobicContact CG2-CG1 4.03Å
101M98.5Very high97.7Very high42 Ų4248 Ų4821%0.20724%0.244CC..EExtended strand (participates in β ladder)trans-78.5152.1171.9-65.3179.7-73.300110.6F99 P213 A214 T215 Y216 E229 M232F99-M101 HydrophobicContact CD1-CG 4.28Å; F99-M101 HydrophobicContact CE1-CG 3.59Å; F99-M101 HydrophobicContact CE1-SD 4.38Å; F99-M101 HydrophobicContact CZ-CG 4.29Å; M101-P213 HydrophobicContact CE-CB 4.41Å; M101-A214 PolarHBondContact N-O 2.98Å; M101-T215 HydrophobicContact CB-CG2 4.48Å; M101-T215 WeakPolarHBondContact CE-OG1 3.45Å; M101-Y216 WeakPolarHBondContact O-CD2 3.49Å; M101-Y216 PolarHBondContact O-N 3.27Å; M101-E229 HydrophobicContact CE-CG 3.75Å; M101-M232 HydrophobicContact CE-SD 4.07Å
102P98.1Very high97.8Very high10 Ų1047.7 Ų47.77%0.06524%0.242CC..PPolyproline II helixtrans-67158.1-179.830.2-36.4000112.3A84 T86 A91 D92 E104 T215A84-P102 HydrophobicContact CB-CB 3.7Å; A84-P102 HydrophobicContact CB-CG 3.88Å; T86-P102 HydrophobicContact CG2-CB 3.8Å; A91-P102 HydrophobicContact CB-CB 3.87Å; A91-P102 HydrophobicContact CB-CG 3.9Å; D92-P102 WeakPolarHBondContact OD1-CD 3.37Å; P102-E104 PolarHBondContact O-N 3.49Å; P102-T215 WeakPolarHBondContact O-CG2 3.29Å
103A97.8Very high97.9Very high2 Ų245.7 Ų45.72%0.01723%0.231CC..EExtended strand (participates in β ladder)trans-73128.3163.900000108.4V85 Y216V85-A103 HydrophobicContact CB-CB 4.26Å; V85-A103 PolarHBondContact N-O 3Å; V85-A103 PolarHBondContact O-N 2.89Å; A103-Y216 WeakPolarHBondContact CA-O 3.32Å; A103-Y216 WeakPolarHBondContact CB-O 3.24Å
104E96.1Very high97.9Very high124 Ų12447.5 Ų47.558%0.57924%0.24SC*.EExtended strand (participates in β ladder)trans-93136.7174.4-65.7-165.3172.200111.7P102P102-E104 PolarHBondContact O-N 3.49Å
105R95.6Very high97.9Very high105 Ų10547.1 Ų47.140%0.39624%0.238SC..EExtended strand (participates in β ladder)trans-134.6145.5173.6-67.7-69.2178.7-104.57.5110V83 V85 V107 L218V83-R105 PolarHBondContact N-O 2.64Å; V83-R105 PolarHBondContact O-N 2.66Å; V85-R105 HydrophobicContact CG2-CB 4.34Å; V85-R105 HydrophobicContact CG2-CG 4.08Å; R105-V107 HydrophobicContact CB-CG1 4.35Å; R105-L218 PolarHBondContact NH2-O 3.15Å; R105-L218 VanDerWaalsContact NH2-O 3.11Å
106R97.3Very high97.9Very high161 Ų16144.2 Ų44.261%0.60823%0.228SC*.EExtended strand (participates in β ladder)trans-99.8121.4164.6-66.3-162.170.2-1751.6108.3E80 V81E80-R106 PolarHBondContact O-NH2 3.43Å; E80-R106 VanDerWaalsContact OE2-C 3.23Å; V81-R106 WeakPolarHBondContact O-CA 3.43Å
107V97.6Very high98Very high29 Ų2943.6 Ų43.618%0.17621%0.206CC..EExtended strand (participates in β ladder)trans-141.1157.1179.7-64.40000110.2E80 V81 V83 R105 L109 F111 V112E80-V107 WeakPolarHBondContact CA-O 3.39Å; E80-V107 WeakPolarHBondContact OE2-CA 3.48Å; E80-V107 PolarHBondContact OE2-N 3.14Å; E80-V107 VanDerWaalsContact OE2-N 3.14Å; V81-V107 PolarHBondContact N-O 2.74Å; V81-V107 PolarHBondContact O-N 3.04Å; V83-V107 HydrophobicContact CB-CG2 4.24Å; V83-V107 HydrophobicContact CG2-CG2 3.45Å; V83-V107 VanDerWaalsContact CG2-CG2 3.45Å; R105-V107 HydrophobicContact CB-CG1 4.35Å; V107-L109 PolarHBondContact O-N 3.01Å; V107-F111 HydrophobicContact CB-CD1 4.19Å; V107-F111 HydrophobicContact CG1-CD1 4.35Å; V107-F111 HydrophobicContact CG2-CD1 4.17Å; V107-V112 HydrophobicContact CG2-CG2 3.83Å
108P98.6Very high98.1Very high43 Ų4340.8 Ų40.828%0.27920%0.203SC..EExtended strand (participates in β ladder)trans-60.1138170.6-18.328.4000110.5T79 E80 S110 F111T79-P108 WeakPolarHBondContact O-CA 3.33Å; E80-P108 WeakPolarHBondContact OE1-CD 3.45Å; E80-P108 WeakPolarHBondContact OE1-CG 3.27Å; P108-S110 PolarHBondContact O-N 2.78Å; P108-S110 VanDerWaalsContact O-N 3.16Å; P108-F111 WeakPolarHBondContact O-CB 3.24Å; P108-F111 PolarHBondContact O-N 3.11Å
109L98.6Very high98.1Very high0 Ų046 Ų460%022%0.223CC..Hα-helixtrans-56.6-35.5176.9-174.665000111.7F72 V76 G77 T79 V81 V107 F111 V112 L113 V128 L139 L168F72-L109 HydrophobicContact CB-CD2 4.12Å; V76-L109 HydrophobicContact CB-CD2 4.31Å; V76-L109 HydrophobicContact CG2-CD2 3.61Å; G77-L109 PolarHBondContact O-N 3.45Å; T79-L109 PolarHBondContact O-N 3.26Å; V81-L109 HydrophobicContact CG2-CB 4.38Å; V81-L109 HydrophobicContact CG2-CD1 4.08Å; V107-L109 PolarHBondContact O-N 3.01Å; L109-F111 PolarHBondContact O-N 2.74Å; L109-V112 HydrophobicContact CD1-CB 4.47Å; L109-V112 WeakPolarHBondContact O-CB 3.24Å; L109-V112 PolarHBondContact O-N 3.07Å; L109-L113 HydrophobicContact CG-CD1 4.41Å; L109-L113 HydrophobicContact CG-CG 4.36Å; L109-L113 VanDerWaalsContact O-CG 3.31Å; L109-L113 WeakPolarHBondContact O-CG 3.37Å; L109-L113 PolarHBondContact O-N 3.19Å; L109-V128 HydrophobicContact CD1-CG2 4.41Å; L109-L139 HydrophobicContact CD2-CD2 4.39Å; L109-L168 HydrophobicContact CD1-CD2 3.92Å
110S98.7Very high98Very high31 Ų3146.7 Ų46.722%0.21723%0.23CC..Hα-helixtrans-55.2-34.2175.251.60000113.9R73 G77 P108 L113 D114R73-S110 PolarHBondContact NH1-O 2.93Å; G77-S110 WeakPolarHBondContact O-CB 3.34Å; G77-S110 PolarHBondContact O-N 3.04Å; G77-S110 PolarHBondContact O-OG 3.01Å; P108-S110 PolarHBondContact O-N 2.78Å; P108-S110 VanDerWaalsContact O-N 3.16Å; S110-L113 PolarHBondContact O-N 3.47Å; S110-D114 VanDerWaalsContact O-CG 3.23Å; S110-D114 PolarHBondContact O-N 2.95Å
111F98.6Very high97.8Very high65 Ų6554.5 Ų54.529%0.28527%0.266SS..Hα-helixtrans-67.3-44.2174.8175.1-104.3000111.5V107 P108 L109 L113 D114 V115 A120 H122 L126V107-F111 HydrophobicContact CB-CD1 4.19Å; V107-F111 HydrophobicContact CG1-CD1 4.35Å; V107-F111 HydrophobicContact CG2-CD1 4.17Å; P108-F111 WeakPolarHBondContact O-CB 3.24Å; P108-F111 PolarHBondContact O-N 3.11Å; L109-F111 PolarHBondContact O-N 2.74Å; F111-L113 VanDerWaalsContact C-N 3.27Å; F111-L113 PolarHBondContact O-N 2.88Å; F111-D114 WeakPolarHBondContact O-CB 3.24Å; F111-D114 PolarHBondContact O-N 2.88Å; F111-D114 VanDerWaalsContact O-N 3.13Å; F111-V115 HydrophobicContact CE1-CG2 4.21Å; F111-V115 HydrophobicContact CE2-CG2 4.35Å; F111-V115 HydrophobicContact CZ-CG2 4.02Å; F111-V115 PolarHBondContact O-N 3.08Å; F111-A120 HydrophobicContact CE2-CB 4.31Å; F111-H122 AromaticContact CE1-CD2 3.9Å; F111-H122 AromaticContact CZ-CD2 3.83Å; F111-L126 HydrophobicContact CE1-CD1 4.22Å
112V98.6Very high97.8Very high1 Ų154.7 Ų54.71%0.00627%0.266CS..Hα-helixtrans-58.5-44.3174-176.40000110.1V83 V107 L109 D114 V115 L116 V128V83-V112 HydrophobicContact CG1-CG2 4.49Å; V83-V112 HydrophobicContact CG2-CG2 3.68Å; V107-V112 HydrophobicContact CG2-CG2 3.83Å; L109-V112 HydrophobicContact CD1-CB 4.47Å; L109-V112 WeakPolarHBondContact O-CB 3.24Å; L109-V112 PolarHBondContact O-N 3.07Å; V112-D114 VanDerWaalsContact C-N 3.33Å; V112-D114 PolarHBondContact O-N 3.04Å; V112-V115 PolarHBondContact O-N 2.86Å; V112-L116 HydrophobicContact CG1-CD1 4.07Å; V112-L116 HydrophobicContact CG1-CG 4.39Å; V112-L116 VanDerWaalsContact O-CG 3.3Å; V112-L116 WeakPolarHBondContact O-CG 3.19Å; V112-L116 PolarHBondContact O-N 3.05Å; V112-V128 HydrophobicContact CG1-CG2 4.2Å
113L98.8Very high97.6Very high0 Ų057.7 Ų57.70%029%0.286CS..Hα-helixtrans-62.8-38.5176.7-58.5175.6000112L69 F72 R73 L109 S110 F111 V115 L116 E117 L168L69-L113 HydrophobicContact CB-CD2 4.09Å; L69-L113 HydrophobicContact CD2-CD2 3.74Å; L69-L113 HydrophobicContact CG-CD2 4.39Å; F72-L113 HydrophobicContact CB-CD1 4.01Å; R73-L113 HydrophobicContact CB-CD1 3.76Å; L109-L113 HydrophobicContact CG-CD1 4.41Å; L109-L113 HydrophobicContact CG-CG 4.36Å; L109-L113 VanDerWaalsContact O-CG 3.31Å; L109-L113 WeakPolarHBondContact O-CG 3.37Å; L109-L113 PolarHBondContact O-N 3.19Å; S110-L113 PolarHBondContact O-N 3.47Å; F111-L113 VanDerWaalsContact C-N 3.27Å; F111-L113 PolarHBondContact O-N 2.88Å; L113-V115 VanDerWaalsContact C-N 3.33Å; L113-V115 PolarHBondContact O-N 3.27Å; L113-L116 HydrophobicContact CD2-CD1 4.43Å; L113-L116 PolarHBondContact O-N 3.07Å; L113-E117 VanDerWaalsContact O-CB 3.31Å; L113-E117 WeakPolarHBondContact O-CB 3.36Å; L113-E117 VanDerWaalsContact O-CG 3.26Å; L113-E117 WeakPolarHBondContact O-CG 3.21Å; L113-E117 PolarHBondContact O-N 2.83Å; L113-L168 HydrophobicContact CD2-CD2 3.81Å
114D98.8Very high97.6Very high40 Ų4058 Ų5821%0.21429%0.29CS..Hα-helixtrans-62.4-39.6175.3-71.5-30.7000112R73 S110 F111 V112 G118 R119 A120R73-D114 IonicContact CZ-OD1 2.73Å; R73-D114 IonicContact NH1-OD1 3.67Å; R73-D114 PolarHBondContact NH1-OD1 3.33Å; R73-D114 IonicContact NH1-OD2 3.66Å; R73-D114 IonicContact NH2-OD1 3.26Å; R73-D114 PolarHBondContact NH2-OD1 3.43Å; S110-D114 VanDerWaalsContact O-CG 3.23Å; S110-D114 PolarHBondContact O-N 2.95Å; F111-D114 WeakPolarHBondContact O-CB 3.24Å; F111-D114 PolarHBondContact O-N 2.88Å; F111-D114 VanDerWaalsContact O-N 3.13Å; V112-D114 VanDerWaalsContact C-N 3.33Å; V112-D114 PolarHBondContact O-N 3.04Å; D114-G118 PolarHBondContact O-N 2.79Å; D114-R119 HydrophobicContact CB-CB 4.08Å; D114-R119 WeakPolarHBondContact O-CA 3.26Å; D114-R119 WeakPolarHBondContact O-CB 3.43Å; D114-R119 PolarHBondContact O-N 2.74Å; D114-A120 HydrophobicContact CB-CB 3.78Å; D114-A120 PolarHBondContact O-N 2.84Å
115V98.6Very high97.7Very high14 Ų1452.9 Ų52.99%0.08527%0.267CS..Hα-helixtrans-67-47.1174.5176.50000110.8F111 V112 L113 E117 G118 A120 H122 L126F111-V115 HydrophobicContact CE1-CG2 4.21Å; F111-V115 HydrophobicContact CE2-CG2 4.35Å; F111-V115 HydrophobicContact CZ-CG2 4.02Å; F111-V115 PolarHBondContact O-N 3.08Å; V112-V115 PolarHBondContact O-N 2.86Å; L113-V115 VanDerWaalsContact C-N 3.33Å; L113-V115 PolarHBondContact O-N 3.27Å; V115-E117 VanDerWaalsContact C-N 3.26Å; V115-E117 PolarHBondContact O-N 3.28Å; V115-G118 PolarHBondContact O-N 3Å; V115-A120 HydrophobicContact CG2-CB 4.08Å; V115-H122 HydrophobicContact CG1-CB 4.24Å; V115-H122 HydrophobicContact CG2-CB 3.93Å; V115-L126 HydrophobicContact CB-CD1 3.92Å; V115-L126 HydrophobicContact CG1-CD1 3.96Å; V115-L126 HydrophobicContact CG1-CG 4.4Å; V115-L126 HydrophobicContact CG2-CD1 3.81Å
116L98.3Very high97.8Very high14 Ų1448 Ų487%0.07325%0.249CC..Hα-helixtrans-59.9-35.8179.3-69.7172.6000113.3L69 V112 L113 G118 L168 E170 Q283L69-L116 HydrophobicContact CD1-CB 4.42Å; V112-L116 HydrophobicContact CG1-CD1 4.07Å; V112-L116 HydrophobicContact CG1-CG 4.39Å; V112-L116 VanDerWaalsContact O-CG 3.3Å; V112-L116 WeakPolarHBondContact O-CG 3.19Å; V112-L116 PolarHBondContact O-N 3.05Å; L113-L116 HydrophobicContact CD2-CD1 4.43Å; L113-L116 PolarHBondContact O-N 3.07Å; L116-G118 VanDerWaalsContact C-N 3.34Å; L116-L168 HydrophobicContact CD1-CD1 3.72Å; L116-L168 HydrophobicContact CD1-CD2 3.94Å; L116-L168 HydrophobicContact CD1-CG 3.73Å; L116-E170 HydrophobicContact CD2-CB 4.31Å; L116-E170 HydrophobicContact CD2-CG 3.52Å; L116-Q283 PolarHBondContact O-NE2 3.26Å
117E98.3Very high97.9Very high59 Ų5940.7 Ų40.728%0.27622%0.221SC..THydrogen-bonded Turntrans-86.90.2178.2-66.7177.1148.700113.3L69 R73 L113 V115 R119L69-E117 HydrophobicContact CD1-CG 3.87Å; R73-E117 IonicContact CZ-OE2 2.85Å; R73-E117 IonicContact NE-OE2 3.79Å; R73-E117 IonicContact NH2-OE2 3.72Å; R73-E117 PolarHBondContact NH2-OE2 3.21Å; L113-E117 VanDerWaalsContact O-CB 3.31Å; L113-E117 WeakPolarHBondContact O-CB 3.36Å; L113-E117 VanDerWaalsContact O-CG 3.26Å; L113-E117 WeakPolarHBondContact O-CG 3.21Å; L113-E117 PolarHBondContact O-N 2.83Å; V115-E117 VanDerWaalsContact C-N 3.26Å; V115-E117 PolarHBondContact O-N 3.28Å; E117-R119 VanDerWaalsContact C-N 3.27Å; E117-R119 HydrophobicContact CB-CG 4.12Å; E117-R119 PolarHBondContact O-N 2.82Å; E117-R119 IonicContact OE1-NH2 3.79Å; E117-R119 IonicContact OE2-CZ 2.98Å; E117-R119 IonicContact OE2-NE 3.12Å; E117-R119 PolarHBondContact OE2-NE 3.17Å; E117-R119 VanDerWaalsContact OE2-NE 3.12Å; E117-R119 IonicContact OE2-NH1 3.45Å; E117-R119 PolarHBondContact OE2-NH1 2.99Å; E117-R119 IonicContact OE2-NH2 3.19Å; E117-R119 PolarHBondContact OE2-NH2 3.24Å
118G97.8Very high97.9Very high50 Ų5039.3 Ų39.352%0.51521%0.213SC..THydrogen-bonded Turntrans71.115.3-17900000115.1D114 V115 L116D114-G118 PolarHBondContact O-N 2.79Å; V115-G118 PolarHBondContact O-N 3Å; L116-G118 VanDerWaalsContact C-N 3.34Å
119R97.7Very high97.7Very high165 Ų16538 Ų3862%0.62320%0.203SC*.SBendtrans-80.7-25.6176.7-59.5-179.3-174.9178.89.1112.7D114 E117D114-R119 HydrophobicContact CB-CB 4.08Å; D114-R119 WeakPolarHBondContact O-CA 3.26Å; D114-R119 WeakPolarHBondContact O-CB 3.43Å; D114-R119 PolarHBondContact O-N 2.74Å; E117-R119 VanDerWaalsContact C-N 3.27Å; E117-R119 HydrophobicContact CB-CG 4.12Å; E117-R119 PolarHBondContact O-N 2.82Å; E117-R119 IonicContact OE1-NH2 3.79Å; E117-R119 IonicContact OE2-CZ 2.98Å; E117-R119 IonicContact OE2-NE 3.12Å; E117-R119 PolarHBondContact OE2-NE 3.17Å; E117-R119 VanDerWaalsContact OE2-NE 3.12Å; E117-R119 IonicContact OE2-NH1 3.45Å; E117-R119 PolarHBondContact OE2-NH1 2.99Å; E117-R119 IonicContact OE2-NH2 3.19Å; E117-R119 PolarHBondContact OE2-NH2 3.24Å
120A97.3Very high97.3Very high24 Ų2441.2 Ų41.220%0.19822%0.217CC..SBendtrans-126.7156.2173.200000110F111 D114 V115F111-A120 HydrophobicContact CE2-CB 4.31Å; D114-A120 HydrophobicContact CB-CB 3.78Å; D114-A120 PolarHBondContact O-N 2.84Å; V115-A120 HydrophobicContact CG2-CB 4.08Å
121Q95.2Very high96.6Very high166 Ų16642.2 Ų42.278%0.77622%0.218SC*.  trans-109.2145.7172.6-63.2-62.9-43.200108.6
122H96.9Very high96.2Very high45 Ų4543.6 Ų43.621%0.20824%0.235CC..  trans-136.7139.7175.4-172-85.9000108.9V85 F111 V115 G124 L126V85-H122 VanDerWaalsContact CG1-CE1 3.42Å; V85-H122 WeakPolarHBondContact CG1-CE1 3.37Å; F111-H122 AromaticContact CE1-CD2 3.9Å; F111-H122 AromaticContact CZ-CD2 3.83Å; V115-H122 HydrophobicContact CG1-CB 4.24Å; V115-H122 HydrophobicContact CG2-CB 3.93Å; H122-G124 PolarHBondContact ND1-N 2.77Å; H122-G124 PolarHBondContact ND1-O 3.06Å; H122-G124 PolarHBondContact O-N 2.83Å; H122-G124 VanDerWaalsContact O-N 3.14Å; H122-L126 HydrophobicContact CB-CD1 4.42Å
123P94.9Very high95.9Very high73 Ų7344.8 Ų44.847%0.47424%0.243SC..SBendtrans-66.8-12.2-173.124.5-36.3000115.3L218 G222P123-L218 HydrophobicContact CG-CD1 3.93Å; P123-L218 HydrophobicContact CG-CD2 4.32Å; P123-G222 WeakPolarHBondContact CB-O 3.38Å
124G97.1Very high95.7Very high9 Ų944.8 Ų44.89%0.09324%0.243CC..SBendtrans-142.5176.3175.900000111.6T86 H122T86-G124 CarbonylContact O-C 3.55Å; T86-G124 VanDerWaalsContact O-CA 3.25Å; T86-G124 WeakPolarHBondContact O-CA 3.22Å; H122-G124 PolarHBondContact ND1-N 2.77Å; H122-G124 PolarHBondContact ND1-O 3.06Å; H122-G124 PolarHBondContact O-N 2.83Å; H122-G124 VanDerWaalsContact O-N 3.14Å
125V98.6Very high95.6Very high17 Ų1742.9 Ų42.910%0.10323%0.233CC..EExtended strand (participates in β ladder)trans-80.7130.7-176.1-174.70000110.5V85 T86 E170 A172 A173V85-V125 WeakPolarHBondContact CA-O 3.4Å; T86-V125 PolarHBondContact N-O 3.36Å; T86-V125 VanDerWaalsContact N-O 3.11Å; T86-V125 PolarHBondContact O-N 3.4Å; V125-E170 WeakPolarHBondContact CA-OE2 3.41Å; V125-E170 HydrophobicContact CG1-CB 3.87Å; V125-A172 HydrophobicContact CG1-CB 3.94Å; V125-A172 HydrophobicContact CG2-CB 3.99Å; V125-A173 HydrophobicContact CG1-CB 3.92Å
126L98.6Very high95.5Very high3 Ų344.4 Ų44.42%0.01624%0.243CC..EExtended strand (participates in β ladder)trans-100.3134.8-178.1-57.9-171.4000112.1V83 V85 F111 V115 H122 E170V83-L126 HydrophobicContact CG1-CB 4.06Å; V83-L126 HydrophobicContact CG1-CD2 4.09Å; V85-L126 HydrophobicContact CB-CD2 4.36Å; V85-L126 HydrophobicContact CG1-CD2 4.11Å; V85-L126 HydrophobicContact CG2-CD2 3.69Å; F111-L126 HydrophobicContact CE1-CD1 4.22Å; V115-L126 HydrophobicContact CB-CD1 3.92Å; V115-L126 HydrophobicContact CG1-CD1 3.96Å; V115-L126 HydrophobicContact CG1-CG 4.4Å; V115-L126 HydrophobicContact CG2-CD1 3.81Å; H122-L126 HydrophobicContact CB-CD1 4.42Å; L126-E170 PolarHBondContact N-OE2 3.18Å; L126-E170 PolarHBondContact O-N 3.39Å
127Y98.6Very high95.4Very high7 Ų748.1 Ų48.13%0.02727%0.266CS..EExtended strand (participates in β ladder)trans-143.9119.6171.7-165.8-170000111.6A84 Q129 W167 L168 G169 A173 K193A84-Y127 WeakPolarHBondContact CB-O 3.32Å; A84-Y127 PolarHBondContact N-O 3.21Å; A84-Y127 PolarHBondContact O-N 3.24Å; Y127-Q129 HydrophobicContact CD1-CB 3.62Å; Y127-Q129 HydrophobicContact CD1-CG 3.92Å; Y127-Q129 HydrophobicContact CD2-CB 3.99Å; Y127-Q129 HydrophobicContact CE1-CB 3.74Å; Y127-Q129 HydrophobicContact CE1-CG 4.45Å; Y127-Q129 VanDerWaalsContact CE1-OE1 3.26Å; Y127-Q129 HydrophobicContact CE2-CB 4.11Å; Y127-Q129 HydrophobicContact CG-CB 3.75Å; Y127-Q129 HydrophobicContact CG-CG 4.07Å; Y127-Q129 PolarHBondContact O-N 3.18Å; Y127-Q129 VanDerWaalsContact O-N 3.17Å; Y127-W167 HydrophobicContact CE1-CE3 4.07Å; Y127-W167 HydrophobicContact CE1-CZ3 4Å; Y127-W167 HydrophobicContact CE2-CB 4.35Å; Y127-W167 AromaticContact CE2-CE3 3.77Å; Y127-W167 HydrophobicContact CE2-CE3 3.77Å; Y127-W167 AromaticContact CZ-CE3 3.33Å; Y127-W167 AromaticContact CZ-CZ3 3.71Å; Y127-W167 WeakPolarHBondContact OH-CZ3 3.44Å; Y127-L168 WeakPolarHBondContact CD2-O 3.25Å; Y127-G169 VanDerWaalsContact CD2-CA 3.49Å; Y127-A173 HydrophobicContact CD1-CB 3.8Å; Y127-A173 HydrophobicContact CG-CB 3.85Å; Y127-K193 PolarHBondContact OH-NZ 3.36Å
128V98.3Very high95.4Very high0 Ų046.4 Ų46.40%026%0.258CS..EExtended strand (participates in β ladder)trans-76.397.5165.2-172.90000107.1V81 V83 L109 V112 F166 W167 L168V81-V128 HydrophobicContact CG2-CG2 4.35Å; V83-V128 HydrophobicContact CG2-CG2 4.25Å; L109-V128 HydrophobicContact CD1-CG2 4.41Å; V112-V128 HydrophobicContact CG1-CG2 4.2Å; V128-F166 HydrophobicContact CG1-CD1 3.95Å; V128-F166 HydrophobicContact CG1-CE1 4.27Å; V128-W167 WeakPolarHBondContact O-CA 3.49Å; V128-L168 HydrophobicContact CB-CB 4.19Å; V128-L168 WeakPolarHBondContact CB-O 3.23Å; V128-L168 HydrophobicContact CG2-CB 4.28Å; V128-L168 PolarHBondContact N-O 3.04Å; V128-L168 PolarHBondContact O-N 2.77Å
129Q92.8Very high95.4Very high16 Ų1644.1 Ų44.18%0.07523%0.234CC..  trans-137.114.7-170.364.816028.200115.1A84 Y127 Q131 W167A84-Q129 HydrophobicContact CB-CG 3.54Å; Y127-Q129 HydrophobicContact CD1-CB 3.62Å; Y127-Q129 HydrophobicContact CD1-CG 3.92Å; Y127-Q129 HydrophobicContact CD2-CB 3.99Å; Y127-Q129 HydrophobicContact CE1-CB 3.74Å; Y127-Q129 HydrophobicContact CE1-CG 4.45Å; Y127-Q129 VanDerWaalsContact CE1-OE1 3.26Å; Y127-Q129 HydrophobicContact CE2-CB 4.11Å; Y127-Q129 HydrophobicContact CG-CB 3.75Å; Y127-Q129 HydrophobicContact CG-CG 4.07Å; Y127-Q129 PolarHBondContact O-N 3.18Å; Y127-Q129 VanDerWaalsContact O-N 3.17Å; Q129-Q131 WeakPolarHBondContact O-CG 3.33Å; Q129-Q131 PolarHBondContact O-N 3.2Å; Q129-W167 HydrophobicContact CB-CE3 3.61Å; Q129-W167 HydrophobicContact CB-CZ3 3.44Å; Q129-W167 VanDerWaalsContact CB-CZ3 3.44Å
130K90.6Very high95.4Very high67 Ų6739 Ų3929%0.29122%0.222SC..  trans-66118.6-176.7-174.5177.6179.7-177.70111S82 C132 N134 E138S82-K130 PolarHBondContact OG-NZ 2.9Å; K130-C132 VanDerWaalsContact C-N 3.33Å; K130-C132 HydrophobicContact CG-CB 4.46Å; K130-C132 PolarHBondContact O-N 3.27Å; K130-N134 HydrophobicContact CB-CB 4.08Å; K130-N134 HydrophobicContact CG-CB 4.44Å; K130-N134 VanDerWaalsContact O-CB 3.27Å; K130-N134 WeakPolarHBondContact O-CB 3.43Å; K130-N134 PolarHBondContact O-ND2 3.49Å; K130-N134 PolarHBondContact O-OD1 3.04Å; K130-E138 VanDerWaalsContact CD-OE1 3.27Å; K130-E138 WeakPolarHBondContact CD-OE1 3.27Å; K130-E138 IonicContact NZ-OE1 3.81Å; K130-E138 PolarHBondContact NZ-OE1 2.79Å
131Q84.6Confident95.5Very high52 Ų5242.4 Ų42.424%0.24323%0.234CC..THydrogen-bonded Turntrans-94.721.1-168.2-47.5177.36.400113.5Q129 N165 W167 W291Q129-Q131 WeakPolarHBondContact O-CG 3.33Å; Q129-Q131 PolarHBondContact O-N 3.2Å; Q131-N165 WeakPolarHBondContact CA-OD1 3.39Å; Q131-N165 PolarHBondContact O-OD1 3.14Å; Q131-W167 HydrophobicContact CG-CH2 3.67Å; Q131-W167 HydrophobicContact CG-CZ2 3.95Å; Q131-W167 HydrophobicContact CG-CZ3 4.46Å; Q131-W167 VanDerWaalsContact NE2-CH2 3.3Å; Q131-W291 HydrophobicContact CB-CH2 3.8Å; Q131-W291 HydrophobicContact CB-CZ3 3.93Å; Q131-W291 HydrophobicContact CG-CH2 4.41Å
132C89.7Confident95.7Very high94 Ų9434.5 Ų34.564%0.63520%0.197SC*.THydrogen-bonded Turntrans-102.546-176.9-550000112.1K130 N134K130-C132 VanDerWaalsContact C-N 3.33Å; K130-C132 HydrophobicContact CG-CB 4.46Å; K130-C132 PolarHBondContact O-N 3.27Å; C132-N134 VanDerWaalsContact C-N 3.34Å; C132-N134 PolarHBondContact O-N 2.99Å
133S93.3Very high95.7Very high25 Ų2535.1 Ų35.118%0.17520%0.202CC..THydrogen-bonded Turntrans57.946.7-174-150.60000111.6L135 P136 T137 V164 N165S133-L135 VanDerWaalsContact C-N 3.27Å; S133-L135 PolarHBondContact O-N 3.18Å; S133-P136 VanDerWaalsContact O-CD 3.22Å; S133-P136 WeakPolarHBondContact O-CD 3.49Å; S133-P136 WeakPolarHBondContact O-CG 3.31Å; S133-P136 VanDerWaalsContact OG-CG 3.23Å; S133-P136 WeakPolarHBondContact OG-CG 3.4Å; S133-T137 WeakPolarHBondContact O-CG2 3.38Å; S133-T137 PolarHBondContact O-N 3.17Å; S133-T137 PolarHBondContact O-OG1 3.48Å; S133-V164 CarbonylContact C-O 3.55Å; S133-V164 WeakPolarHBondContact CA-O 3.36Å; S133-V164 PolarHBondContact OG-N 3.06Å; S133-V164 VanDerWaalsContact OG-N 3.12Å; S133-N165 WeakPolarHBondContact CA-OD1 3.26Å; S133-N165 PolarHBondContact N-OD1 2.81Å
134N94.8Very high95.9Very high1 Ų136.5 Ų36.51%0.00521%0.211CC..Hα-helixtrans-65.3-25.8-175.269.4-24.6000113.1K130 C132 T137 E138 N165 F166K130-N134 HydrophobicContact CB-CB 4.08Å; K130-N134 HydrophobicContact CG-CB 4.44Å; K130-N134 VanDerWaalsContact O-CB 3.27Å; K130-N134 WeakPolarHBondContact O-CB 3.43Å; K130-N134 PolarHBondContact O-ND2 3.49Å; K130-N134 PolarHBondContact O-OD1 3.04Å; C132-N134 VanDerWaalsContact C-N 3.34Å; C132-N134 PolarHBondContact O-N 2.99Å; N134-T137 VanDerWaalsContact CA-OG1 3.3Å; N134-T137 WeakPolarHBondContact CA-OG1 3.44Å; N134-T137 PolarHBondContact O-OG1 2.83Å; N134-E138 WeakPolarHBondContact O-CA 3.45Å; N134-E138 WeakPolarHBondContact O-CB 3.38Å; N134-E138 PolarHBondContact O-N 2.91Å; N134-N165 WeakPolarHBondContact OD1-CA 3.49Å; N134-F166 PolarHBondContact ND2-O 2.84Å; N134-F166 PolarHBondContact OD1-N 2.86Å
135L96.6Very high96Very high0 Ų036.3 Ų36.30%021%0.208CC..Hα-helixtrans-62-58.6178.9178.360.4000111.9S133 T137 L139 L142 L143 L146 V164 F166 V288S133-L135 VanDerWaalsContact C-N 3.27Å; S133-L135 PolarHBondContact O-N 3.18Å; L135-T137 VanDerWaalsContact C-N 3.29Å; L135-T137 PolarHBondContact O-N 2.84Å; L135-L139 HydrophobicContact CD1-CB 4.07Å; L135-L139 CarbonylContact O-C 3.53Å; L135-L139 VanDerWaalsContact O-CA 3.3Å; L135-L139 WeakPolarHBondContact O-CA 3.32Å; L135-L139 PolarHBondContact O-N 3.4Å; L135-L142 HydrophobicContact CD1-CB 3.98Å; L135-L142 HydrophobicContact CD1-CD1 4.42Å; L135-L143 HydrophobicContact CD2-CD2 4.21Å; L135-L143 HydrophobicContact CG-CD2 3.96Å; L135-L146 HydrophobicContact CD2-CD1 3.91Å; L135-L146 HydrophobicContact CD2-CD2 3.99Å; L135-L146 HydrophobicContact CD2-CG 4.48Å; L135-V164 HydrophobicContact CB-CG1 4.47Å; L135-V164 WeakPolarHBondContact CB-O 3.39Å; L135-V164 HydrophobicContact CD2-CG1 3.81Å; L135-V164 PolarHBondContact N-O 2.98Å; L135-F166 HydrophobicContact CB-CB 3.94Å; L135-F166 HydrophobicContact CD1-CB 4.11Å; L135-F166 HydrophobicContact CD1-CD2 4.35Å; L135-V288 HydrophobicContact CD2-CG1 4.03Å; L135-V288 HydrophobicContact CD2-CG2 4.35Å
136P96.1Very high96Very high45 Ų4536.3 Ų36.329%0.29221%0.207SC..Hα-helixtrans-70-24.5179.526.9-35.7000113.7S133 L143 V164S133-P136 VanDerWaalsContact O-CD 3.22Å; S133-P136 WeakPolarHBondContact O-CD 3.49Å; S133-P136 WeakPolarHBondContact O-CG 3.31Å; S133-P136 VanDerWaalsContact OG-CG 3.23Å; S133-P136 WeakPolarHBondContact OG-CG 3.4Å; P136-L143 HydrophobicContact CB-CD1 4.1Å; P136-L143 HydrophobicContact CB-CD2 4.18Å; P136-V164 VanDerWaalsContact CD-O 3.31Å; P136-V164 WeakPolarHBondContact CD-O 3.29Å
137T96.8Very high96Very high93 Ų9339.1 Ų39.157%0.57122%0.22SC*.Hα-helixtrans-89.7-37.4-174.554.60000113.4S133 N134 L135S133-T137 WeakPolarHBondContact O-CG2 3.38Å; S133-T137 PolarHBondContact O-N 3.17Å; S133-T137 PolarHBondContact O-OG1 3.48Å; N134-T137 VanDerWaalsContact CA-OG1 3.3Å; N134-T137 WeakPolarHBondContact CA-OG1 3.44Å; N134-T137 PolarHBondContact O-OG1 2.83Å; L135-T137 VanDerWaalsContact C-N 3.29Å; L135-T137 PolarHBondContact O-N 2.84Å
138E97.6Very high95.9Very high23 Ų2342.7 Ų42.711%0.10725%0.246CC..Hα-helixtrans-107.4-27.6-177.2-58.2-174.3-177.500112.8T79 S82 K130 N134T79-E138 WeakPolarHBondContact CG2-O 3.1Å; S82-E138 PolarHBondContact N-OE2 2.87Å; S82-E138 PolarHBondContact OG-OE1 3.1Å; K130-E138 VanDerWaalsContact CD-OE1 3.27Å; K130-E138 WeakPolarHBondContact CD-OE1 3.27Å; K130-E138 IonicContact NZ-OE1 3.81Å; K130-E138 PolarHBondContact NZ-OE1 2.79Å; N134-E138 WeakPolarHBondContact O-CA 3.45Å; N134-E138 WeakPolarHBondContact O-CB 3.38Å; N134-E138 PolarHBondContact O-N 2.91Å
139L98Very high95.9Very high1 Ų144.6 Ų44.61%0.00526%0.255CS..  trans-127.446.9-175.8-65.5168.4000113.3V76 T79 V81 L109 L135 Q141 L142 F166V76-L139 HydrophobicContact CB-CD2 4.07Å; V76-L139 HydrophobicContact CG1-CD2 4.25Å; V76-L139 HydrophobicContact CG2-CD2 4.26Å; T79-L139 HydrophobicContact CG2-CD2 4.05Å; V81-L139 HydrophobicContact CG1-CD1 4.28Å; V81-L139 HydrophobicContact CG1-CD2 3.78Å; V81-L139 HydrophobicContact CG1-CG 4.03Å; L109-L139 HydrophobicContact CD2-CD2 4.39Å; L135-L139 HydrophobicContact CD1-CB 4.07Å; L135-L139 CarbonylContact O-C 3.53Å; L135-L139 VanDerWaalsContact O-CA 3.3Å; L135-L139 WeakPolarHBondContact O-CA 3.32Å; L135-L139 PolarHBondContact O-N 3.4Å; L139-Q141 PolarHBondContact O-N 2.73Å; L139-L142 HydrophobicContact CB-CD1 4.09Å; L139-L142 HydrophobicContact CB-CG 4.32Å; L139-L142 HydrophobicContact CD1-CD1 4.15Å; L139-L142 WeakPolarHBondContact O-CB 3.21Å; L139-L142 PolarHBondContact O-N 3.33Å; L139-F166 HydrophobicContact CD1-CB 4.3Å; L139-F166 HydrophobicContact CD1-CD1 3.56Å; L139-F166 HydrophobicContact CD1-CD2 4.39Å; L139-F166 HydrophobicContact CD1-CE1 3.91Å; L139-F166 HydrophobicContact CD1-CG 3.82Å; L139-F166 HydrophobicContact CD1-CZ 4.46Å
140P98.2Very high96.2Very high57 Ų5744 Ų4437%0.3725%0.252SS..G310 helixtrans-60-23.9-17525.7-35.8000113.8L142 L143P140-L142 PolarHBondContact O-N 3.07Å; P140-L143 HydrophobicContact CB-CD1 4.26Å; P140-L143 WeakPolarHBondContact O-CB 3.47Å; P140-L143 WeakPolarHBondContact O-CG 3.3Å; P140-L143 PolarHBondContact O-N 2.84Å
141Q98.5Very high96.6Very high96 Ų9643.3 Ų43.345%0.44926%0.255SS..G310 helixtrans-65.7-19.1177.8-53.985.3-13.100112.9V76 L139 P144V76-Q141 HydrophobicContact CG1-CB 3.8Å; V76-Q141 HydrophobicContact CG1-CG 4.26Å; L139-Q141 PolarHBondContact O-N 2.73Å; Q141-P144 WeakPolarHBondContact O-CD 3.33Å
142L98.6Very high97.3Very high0 Ų042.5 Ų42.50%025%0.249CC..G310 helixtrans-88-15.2177.5-64.1-173000113W67 Y71 F72 T75 V76 L135 L139 P140 P144 D145 F166W67-L142 HydrophobicContact CH2-CB 4.42Å; W67-L142 HydrophobicContact CH2-CD1 4.36Å; W67-L142 HydrophobicContact CZ2-CB 3.79Å; W67-L142 HydrophobicContact CZ2-CD1 4.18Å; W67-L142 HydrophobicContact CZ2-CG 4.4Å; Y71-L142 HydrophobicContact CE1-CD2 4.15Å; F72-L142 HydrophobicContact CD1-CD1 4.19Å; F72-L142 HydrophobicContact CD1-CD2 4.05Å; F72-L142 HydrophobicContact CE1-CD1 3.8Å; F72-L142 HydrophobicContact CE1-CD2 3.98Å; F72-L142 HydrophobicContact CZ-CD1 4.44Å; T75-L142 HydrophobicContact CG2-CD2 4.35Å; V76-L142 HydrophobicContact CG1-CD2 4.25Å; V76-L142 HydrophobicContact CG1-CG 4.25Å; V76-L142 HydrophobicContact CG2-CD1 4.27Å; V76-L142 HydrophobicContact CG2-CD2 4Å; V76-L142 HydrophobicContact CG2-CG 4.26Å; L135-L142 HydrophobicContact CD1-CB 3.98Å; L135-L142 HydrophobicContact CD1-CD1 4.42Å; L139-L142 HydrophobicContact CB-CD1 4.09Å; L139-L142 HydrophobicContact CB-CG 4.32Å; L139-L142 HydrophobicContact CD1-CD1 4.15Å; L139-L142 WeakPolarHBondContact O-CB 3.21Å; L139-L142 PolarHBondContact O-N 3.33Å; P140-L142 PolarHBondContact O-N 3.07Å; L142-P144 VanDerWaalsContact C-CD 3.41Å; L142-D145 WeakPolarHBondContact O-CB 3.42Å; L142-D145 PolarHBondContact O-N 2.77Å; L142-F166 HydrophobicContact CD1-CD2 4.5Å; L142-F166 HydrophobicContact CD1-CE2 4.23Å
143L98.2Very high97.7Very high58 Ų5838 Ų3830%0.30422%0.219SC..G310 helixtrans-57.1-37-178.6-66.3173.8000114.3L135 P136 P140 D145 L146L135-L143 HydrophobicContact CD2-CD2 4.21Å; L135-L143 HydrophobicContact CG-CD2 3.96Å; P136-L143 HydrophobicContact CB-CD1 4.1Å; P136-L143 HydrophobicContact CB-CD2 4.18Å; P140-L143 HydrophobicContact CB-CD1 4.26Å; P140-L143 WeakPolarHBondContact O-CB 3.47Å; P140-L143 WeakPolarHBondContact O-CG 3.3Å; P140-L143 PolarHBondContact O-N 2.84Å; L143-D145 PolarHBondContact O-N 2.62Å; L143-L146 PolarHBondContact O-N 3.32Å
144P98.6Very high98Very high102 Ų10237.2 Ų37.266%0.66221%0.214SC*.G310 helixtrans-63.5-12.6177.2-23.635.7000114.7Q141 L142Q141-P144 WeakPolarHBondContact O-CD 3.33Å; L142-P144 VanDerWaalsContact C-CD 3.41Å
145D98.8Very high98.2Very high6 Ų644 Ų443%0.03225%0.245CC..G310 helixtrans-89.9-2.9-178.6-66.1-24.5000113.6P62 A63 K66 W67 Y71 L142 L143P62-D145 HydrophobicContact CB-CB 4.35Å; P62-D145 WeakPolarHBondContact CD-O 3.27Å; A63-D145 HydrophobicContact CB-CB 4.06Å; A63-D145 VanDerWaalsContact CB-O 3.24Å; A63-D145 WeakPolarHBondContact CB-O 3.3Å; A63-D145 PolarHBondContact N-O 2.88Å; K66-D145 IonicContact NZ-OD1 3.58Å; K66-D145 PolarHBondContact NZ-OD1 2.84Å; K66-D145 IonicContact NZ-OD2 3.2Å; W67-D145 HydrophobicContact CZ2-CB 4.18Å; W67-D145 VanDerWaalsContact NE1-CB 3.32Å; W67-D145 PolarHBondContact NE1-OD2 2.85Å; Y71-D145 WeakPolarHBondContact CE1-OD2 3.43Å; Y71-D145 PolarHBondContact OH-OD2 3.24Å; L142-D145 WeakPolarHBondContact O-CB 3.42Å; L142-D145 PolarHBondContact O-N 2.77Å; L143-D145 PolarHBondContact O-N 2.62Å
146L98.4Very high98.3Very high16 Ų1644.8 Ų44.88%0.08425%0.252CS..SBendtrans-155.3174.6179.955.580.9000111.7W61 W67 L135 L143 V288W61-L146 HydrophobicContact CB-CB 4.42Å; W61-L146 HydrophobicContact CD2-CB 3.54Å; W61-L146 HydrophobicContact CE3-CB 3.62Å; W61-L146 HydrophobicContact CE3-CD2 4.39Å; W61-L146 HydrophobicContact CG-CB 3.93Å; W61-L146 HydrophobicContact CH2-CB 4.3Å; W61-L146 HydrophobicContact CZ2-CB 4.26Å; W61-L146 HydrophobicContact CZ3-CB 4.01Å; W61-L146 HydrophobicContact CZ3-CD2 4.18Å; W67-L146 HydrophobicContact CH2-CD2 3.33Å; W67-L146 HydrophobicContact CH2-CG 4.5Å; W67-L146 HydrophobicContact CZ2-CD2 3.66Å; W67-L146 HydrophobicContact CZ2-CG 4.44Å; W67-L146 HydrophobicContact CZ3-CD2 4.14Å; L135-L146 HydrophobicContact CD2-CD1 3.91Å; L135-L146 HydrophobicContact CD2-CD2 3.99Å; L135-L146 HydrophobicContact CD2-CG 4.48Å; L143-L146 PolarHBondContact O-N 3.32Å; L146-V288 HydrophobicContact CD2-CB 4.42Å; L146-V288 HydrophobicContact CD2-CG1 4.27Å; L146-V288 HydrophobicContact CD2-CG2 3.77Å
147E98.3Very high98.4Very high62 Ų6243.8 Ų43.829%0.2924%0.243SC..  trans-85.6146.9176.1-66.6175.4141.600111.7H60 W61 H149 F290H60-E147 IonicContact CD2-OE1 3.6Å; H60-E147 IonicContact CD2-OE2 2.81Å; H60-E147 IonicContact CE1-OE2 2.76Å; H60-E147 IonicContact NE2-OE1 3.24Å; H60-E147 PolarHBondContact NE2-OE1 2.89Å; H60-E147 IonicContact NE2-OE2 3.93Å; H60-E147 PolarHBondContact NE2-OE2 3.44Å; W61-E147 PolarHBondContact NE1-OE2 2.88Å; E147-H149 VanDerWaalsContact CB-O 3.23Å; E147-H149 WeakPolarHBondContact CB-O 3.47Å; E147-H149 PolarHBondContact O-N 3.28Å; E147-F290 WeakPolarHBondContact O-CE1 3.29Å; E147-F290 WeakPolarHBondContact O-CZ 3.26Å
148S97.9Very high98.5Very high82 Ų8242.6 Ų42.657%0.57325%0.25SS*.SBendtrans-72-12.2175.755.60000113.9V164S148-V164 WeakPolarHBondContact O-CG2 3.32Å
149H98.7Very high98.6Very high41 Ų4144.2 Ų44.219%0.1926%0.257CS..SBendtrans-158.2168.3176.975125.7000109.7E147 P151 S154 M160 P161E147-H149 VanDerWaalsContact CB-O 3.23Å; E147-H149 WeakPolarHBondContact CB-O 3.47Å; E147-H149 PolarHBondContact O-N 3.28Å; H149-P151 WeakPolarHBondContact O-CD 3.17Å; H149-S154 WeakPolarHBondContact ND1-CB 3.43Å; H149-S154 PolarHBondContact ND1-OG 3.14Å; H149-M160 HydrophobicContact CB-SD 4.15Å; H149-M160 PolarHBondContact ND1-SD 2.88Å; H149-M160 VanDerWaalsContact ND1-SD 3.39Å; H149-P161 VanDerWaalsContact CB-CD 3.49Å; H149-P161 HydrophobicContact CB-CG 3.72Å
150V98.8Very high98.6Very high3 Ų349.6 Ų49.62%0.01828%0.283CS..  trans-96.1107173.9-179.60000108.8W152 A153 S154 L185 M268 F290 Y292V150-W152 HydrophobicContact CG1-CD2 3.86Å; V150-W152 HydrophobicContact CG1-CG 4.25Å; V150-W152 HydrophobicContact CG1-CH2 4.1Å; V150-W152 HydrophobicContact CG1-CZ2 3.41Å; V150-W152 VanDerWaalsContact CG1-CZ2 3.41Å; V150-W152 VanDerWaalsContact CG1-NE1 3.29Å; V150-W152 PolarHBondContact O-N 2.81Å; V150-A153 HydrophobicContact CB-CB 4.01Å; V150-A153 HydrophobicContact CG1-CB 3.92Å; V150-A153 PolarHBondContact O-N 2.99Å; V150-S154 PolarHBondContact O-N 2.85Å; V150-L185 HydrophobicContact CB-CD1 3.68Å; V150-L185 HydrophobicContact CG1-CD1 3.98Å; V150-L185 HydrophobicContact CG2-CD1 3.66Å; V150-M268 HydrophobicContact CG1-CE 4.09Å; V150-M268 HydrophobicContact CG2-CE 3.63Å; V150-F290 HydrophobicContact CG2-CD2 3.6Å; V150-F290 HydrophobicContact CG2-CE2 3.63Å; V150-F290 HydrophobicContact CG2-CG 4.19Å; V150-F290 HydrophobicContact CG2-CZ 4.29Å; V150-Y292 PolarHBondContact N-OH 2.79Å; V150-Y292 VanDerWaalsContact N-OH 3.12Å
151P98.8Very high98.6Very high53 Ų5348 Ų4834%0.34427%0.273SS..Hα-helixtrans-58.6-45.8-164.7-28.736.5000114.7H149 A153 S154 E155H149-P151 WeakPolarHBondContact O-CD 3.17Å; P151-A153 VanDerWaalsContact C-N 3.29Å; P151-A153 PolarHBondContact O-N 3.42Å; P151-S154 PolarHBondContact O-N 2.81Å; P151-E155 PolarHBondContact O-N 3.18Å
152W98.8Very high98.6Very high35 Ų3547.8 Ų47.813%0.13328%0.275CS..Hα-helixtrans-68.6-27.7-179.554.7-96.5000112.9P36 P38 F41 I54 V150 A156 L185 M268P36-W152 HydrophobicContact CG-CE3 3.99Å; P36-W152 HydrophobicContact CG-CH2 4.41Å; P36-W152 HydrophobicContact CG-CZ3 3.88Å; P38-W152 HydrophobicContact CG-CB 4.26Å; F41-W152 HydrophobicContact CB-CE3 4.27Å; F41-W152 HydrophobicContact CB-CZ3 4.23Å; F41-W152 HydrophobicContact CD1-CE3 4.15Å; F41-W152 AromaticContact CD1-CZ3 3.72Å; F41-W152 HydrophobicContact CD1-CZ3 3.72Å; F41-W152 HydrophobicContact CD2-CE3 4.48Å; F41-W152 HydrophobicContact CD2-CH2 4.42Å; F41-W152 AromaticContact CD2-CZ3 3.63Å; F41-W152 HydrophobicContact CD2-CZ3 3.63Å; F41-W152 AromaticContact CE1-CZ3 3.92Å; F41-W152 HydrophobicContact CE1-CZ3 3.92Å; F41-W152 HydrophobicContact CE2-CH2 4.32Å; F41-W152 AromaticContact CE2-CZ3 3.84Å; F41-W152 HydrophobicContact CE2-CZ3 3.84Å; F41-W152 HydrophobicContact CG-CE3 4.05Å; F41-W152 AromaticContact CG-CZ3 3.57Å; F41-W152 HydrophobicContact CG-CZ3 3.57Å; F41-W152 AromaticContact CZ-CZ3 3.98Å; F41-W152 HydrophobicContact CZ-CZ3 3.98Å; I54-W152 HydrophobicContact CD1-CH2 3.56Å; I54-W152 HydrophobicContact CD1-CZ2 4.08Å; V150-W152 HydrophobicContact CG1-CD2 3.86Å; V150-W152 HydrophobicContact CG1-CG 4.25Å; V150-W152 HydrophobicContact CG1-CH2 4.1Å; V150-W152 HydrophobicContact CG1-CZ2 3.41Å; V150-W152 VanDerWaalsContact CG1-CZ2 3.41Å; V150-W152 VanDerWaalsContact CG1-NE1 3.29Å; V150-W152 PolarHBondContact O-N 2.81Å; W152-A156 WeakPolarHBondContact O-CB 3.42Å; W152-A156 PolarHBondContact O-N 3.31Å; W152-A156 VanDerWaalsContact O-N 3.15Å; W152-L185 HydrophobicContact CH2-CD1 4.45Å; W152-L185 HydrophobicContact CH2-CD2 4.32Å; W152-M268 HydrophobicContact CH2-SD 3.99Å; W152-M268 HydrophobicContact CZ2-CE 4.35Å; W152-M268 HydrophobicContact CZ2-SD 3.7Å
153A98.8Very high98.6Very high0 Ų048.2 Ų48.20%028%0.279CS..Hα-helixtrans-79-40.7175.400000111.3F41 V150 P151 E155 A156 L157 L185F41-A153 HydrophobicContact CD1-CB 4.4Å; F41-A153 HydrophobicContact CE1-CB 4.05Å; V150-A153 HydrophobicContact CB-CB 4.01Å; V150-A153 HydrophobicContact CG1-CB 3.92Å; V150-A153 PolarHBondContact O-N 2.99Å; P151-A153 VanDerWaalsContact C-N 3.29Å; P151-A153 PolarHBondContact O-N 3.42Å; A153-E155 VanDerWaalsContact C-N 3.3Å; A153-E155 PolarHBondContact O-N 2.94Å; A153-A156 WeakPolarHBondContact O-CB 3.23Å; A153-A156 PolarHBondContact O-N 2.69Å; A153-A156 VanDerWaalsContact O-N 3.15Å; A153-L157 WeakPolarHBondContact O-CB 3.34Å; A153-L157 WeakPolarHBondContact O-CG 3.37Å; A153-L157 PolarHBondContact O-N 2.82Å; A153-L185 HydrophobicContact CB-CD1 3.43Å; A153-L185 VanDerWaalsContact CB-CD1 3.43Å
154S98.9Very high98.6Very high8 Ų846 Ų466%0.05627%0.268CS..Hα-helixtrans-59.2-41.1172.7-76.60000112.4H149 V150 P151 G158 K159 Y292H149-S154 WeakPolarHBondContact ND1-CB 3.43Å; H149-S154 PolarHBondContact ND1-OG 3.14Å; V150-S154 PolarHBondContact O-N 2.85Å; P151-S154 PolarHBondContact O-N 2.81Å; S154-G158 WeakPolarHBondContact O-CA 3.38Å; S154-G158 PolarHBondContact O-N 3.3Å; S154-K159 VanDerWaalsContact CA-O 3.26Å; S154-K159 WeakPolarHBondContact CA-O 3.32Å; S154-K159 VanDerWaalsContact CB-O 3.32Å; S154-K159 WeakPolarHBondContact CB-O 3.35Å; S154-K159 PolarHBondContact O-N 2.72Å; S154-K159 PolarHBondContact OG-O 2.73Å; S154-Y292 VanDerWaalsContact OG-CE1 3.28Å; S154-Y292 WeakPolarHBondContact OG-CE1 3.46Å; S154-Y292 PolarHBondContact OG-OH 3.38Å; S154-Y292 VanDerWaalsContact OG-OH 3.04Å
155E98.9Very high98.6Very high144 Ų14441.2 Ų41.267%0.67324%0.236SC*.Hα-helixtrans-64.5-42.7173.5-172.5-178.315400111.5P38 P151 A153 G158P38-E155 HydrophobicContact CB-CB 4.08Å; P38-E155 HydrophobicContact CB-CG 3.99Å; P38-E155 HydrophobicContact CG-CB 3.89Å; P38-E155 VanDerWaalsContact CG-CD 3.44Å; P38-E155 HydrophobicContact CG-CG 3.89Å; P151-E155 PolarHBondContact O-N 3.18Å; A153-E155 VanDerWaalsContact C-N 3.3Å; A153-E155 PolarHBondContact O-N 2.94Å; E155-G158 PolarHBondContact O-N 3.26Å
156A98.8Very high98.6Very high16 Ų1640.9 Ų40.913%0.13223%0.234CC..Hα-helixtrans-64.6-42.8179.300000112.9P38 F41 Y42 W152 A153 G158P38-A156 HydrophobicContact CB-CB 3.98Å; P38-A156 WeakPolarHBondContact O-CB 3.38Å; F41-A156 HydrophobicContact CB-CB 4.29Å; F41-A156 HydrophobicContact CD1-CB 3.74Å; Y42-A156 WeakPolarHBondContact CD2-O 3.49Å; W152-A156 WeakPolarHBondContact O-CB 3.42Å; W152-A156 PolarHBondContact O-N 3.31Å; W152-A156 VanDerWaalsContact O-N 3.15Å; A153-A156 WeakPolarHBondContact O-CB 3.23Å; A153-A156 PolarHBondContact O-N 2.69Å; A153-A156 VanDerWaalsContact O-N 3.15Å; A156-G158 VanDerWaalsContact C-N 3.35Å
157L98.7Very high98.6Very high23 Ų2340.7 Ų40.712%0.1223%0.232CC..Hα-helixtrans-85.4-10.2-178.1-62.4174.9000112.6V46 A153 K159 E183 Y292V46-L157 HydrophobicContact CG1-CD2 3.77Å; V46-L157 HydrophobicContact CG2-CD2 4.05Å; A153-L157 WeakPolarHBondContact O-CB 3.34Å; A153-L157 WeakPolarHBondContact O-CG 3.37Å; A153-L157 PolarHBondContact O-N 2.82Å; L157-K159 HydrophobicContact CB-CG 4.17Å; L157-K159 PolarHBondContact O-N 3.32Å; L157-E183 HydrophobicContact CD1-CB 4.18Å; L157-E183 HydrophobicContact CD2-CG 4.29Å; L157-Y292 HydrophobicContact CD1-CD1 3.79Å; L157-Y292 HydrophobicContact CD1-CD2 4.02Å; L157-Y292 HydrophobicContact CD1-CE1 4.42Å; L157-Y292 HydrophobicContact CD1-CG 3.55Å
158G98.7Very high98.7Very high69 Ų6937.7 Ų37.771%0.71122%0.219SC*.THydrogen-bonded Turntrans65.419.5-178.200000114.3S154 E155 A156S154-G158 WeakPolarHBondContact O-CA 3.38Å; S154-G158 PolarHBondContact O-N 3.3Å; E155-G158 PolarHBondContact O-N 3.26Å; A156-G158 VanDerWaalsContact C-N 3.35Å
159K98.7Very high98.7Very high56 Ų5633.8 Ų33.824%0.24319%0.191CC..SBendtrans-149.5164.1-176.770-177.272.5174.60113S154 L157 Y292 D293 E295S154-K159 VanDerWaalsContact CA-O 3.26Å; S154-K159 WeakPolarHBondContact CA-O 3.32Å; S154-K159 VanDerWaalsContact CB-O 3.32Å; S154-K159 WeakPolarHBondContact CB-O 3.35Å; S154-K159 PolarHBondContact O-N 2.72Å; S154-K159 PolarHBondContact OG-O 2.73Å; L157-K159 HydrophobicContact CB-CG 4.17Å; L157-K159 PolarHBondContact O-N 3.32Å; K159-Y292 HydrophobicContact CG-CD1 4.13Å; K159-Y292 WeakPolarHBondContact O-CE1 3.3Å; K159-D293 PolarHBondContact NZ-O 3.15Å; K159-E295 WeakPolarHBondContact CE-OE1 3.25Å; K159-E295 IonicContact NZ-OE1 3.38Å; K159-E295 PolarHBondContact NZ-OE1 3Å
160M98.8Very high98.7Very high115 Ų11533.5 Ų33.557%0.56719%0.19SC*.  trans-88.5160.1171.8-72.5-61.2173.700110.4H149H149-M160 HydrophobicContact CB-SD 4.15Å; H149-M160 PolarHBondContact ND1-SD 2.88Å; H149-M160 VanDerWaalsContact ND1-SD 3.39Å
161P98.6Very high98.7Very high24 Ų2435.4 Ų35.416%0.15621%0.206CC..  trans-68.4140.4174.228.8-33.7000110.5H149 V164 F290 W291 Y292H149-P161 VanDerWaalsContact CB-CD 3.49Å; H149-P161 HydrophobicContact CB-CG 3.72Å; P161-V164 HydrophobicContact CG-CG2 4.29Å; P161-F290 HydrophobicContact CB-CB 4.18Å; P161-F290 HydrophobicContact CG-CD1 4.3Å; P161-W291 CarbonylContact C-O 3.55Å; P161-W291 WeakPolarHBondContact CA-O 3.31Å; P161-W291 WeakPolarHBondContact CB-O 3.26Å; P161-Y292 HydrophobicContact CB-CD1 4.24Å; P161-Y292 HydrophobicContact CB-CD2 4.3Å; P161-Y292 HydrophobicContact CB-CE1 4.02Å; P161-Y292 HydrophobicContact CB-CE2 4.05Å; P161-Y292 HydrophobicContact CB-CG 4.39Å; P161-Y292 HydrophobicContact CG-CE1 4.29Å; P161-Y292 VanDerWaalsContact N-CE1 3.35Å
162D98.2Very high98.7Very high91 Ų9135.1 Ų35.149%0.48721%0.208SC..SBendtrans-74.2-33.1174.2-7512.9000111.2Y182 W291 D293D162-Y182 HydrophobicContact CB-CE1 4.19Å; D162-W291 PolarHBondContact N-O 2.95Å; D162-D293 WeakPolarHBondContact OD2-CB 3.37Å
163A98.3Very high98.6Very high9 Ų933.6 Ų33.67%0.07420%0.203CC..EExtended strand (participates in β ladder)trans-142145.1179.600000112.2W291A163-W291 HydrophobicContact CB-CB 4.33Å; A163-W291 HydrophobicContact CB-CE3 4.26Å; A163-W291 PolarHBondContact O-N 3.44Å
164V98.6Very high98.6Very high12 Ų1233.9 Ų33.97%0.07321%0.205CC..EExtended strand (participates in β ladder)trans-122.5109.5168.6-169.90000107.6S133 L135 P136 S148 P161 V288 N289 F290S133-V164 CarbonylContact C-O 3.55Å; S133-V164 WeakPolarHBondContact CA-O 3.36Å; S133-V164 PolarHBondContact OG-N 3.06Å; S133-V164 VanDerWaalsContact OG-N 3.12Å; L135-V164 HydrophobicContact CB-CG1 4.47Å; L135-V164 WeakPolarHBondContact CB-O 3.39Å; L135-V164 HydrophobicContact CD2-CG1 3.81Å; L135-V164 PolarHBondContact N-O 2.98Å; P136-V164 VanDerWaalsContact CD-O 3.31Å; P136-V164 WeakPolarHBondContact CD-O 3.29Å; S148-V164 WeakPolarHBondContact O-CG2 3.32Å; P161-V164 HydrophobicContact CG-CG2 4.29Å; V164-V288 HydrophobicContact CG1-CG1 3.86Å; V164-N289 WeakPolarHBondContact CA-O 3.41Å; V164-F290 HydrophobicContact CB-CD1 4.41Å; V164-F290 HydrophobicContact CG1-CD1 3.89Å; V164-F290 HydrophobicContact CG1-CE1 3.69Å; V164-F290 HydrophobicContact CG1-CZ 4.45Å; V164-F290 HydrophobicContact CG2-CD1 3.83Å; V164-F290 HydrophobicContact CG2-CE1 4.13Å
165N98.7Very high98.6Very high0 Ų034.3 Ų34.30%021%0.207CC..EExtended strand (participates in β ladder)trans-107.5142.4-174.4-42.6-58.7000111.8Q131 S133 N134 V288 N289Q131-N165 WeakPolarHBondContact CA-OD1 3.39Å; Q131-N165 PolarHBondContact O-OD1 3.14Å; S133-N165 WeakPolarHBondContact CA-OD1 3.26Å; S133-N165 PolarHBondContact N-OD1 2.81Å; N134-N165 WeakPolarHBondContact OD1-CA 3.49Å; N165-V288 CarbonylContact O-C 3.36Å; N165-V288 VanDerWaalsContact O-CA 3.22Å; N165-V288 WeakPolarHBondContact O-CA 3.48Å; N165-N289 VanDerWaalsContact CB-OD1 3.26Å; N165-N289 WeakPolarHBondContact CB-OD1 3.35Å; N165-N289 PolarHBondContact N-O 3.43Å; N165-N289 PolarHBondContact ND2-OD1 3.49Å; N165-N289 PolarHBondContact O-N 3.15Å
166F98.8Very high98.6Very high0 Ų028.1 Ų28.10%018%0.18CC..EExtended strand (participates in β ladder)trans-101.2137.2172.3176.1-93.8000110.2W67 F72 V128 N134 L135 L139 L142 L168 I286 V288W67-F166 HydrophobicContact CE3-CE2 4.43Å; W67-F166 HydrophobicContact CH2-CD2 4.16Å; W67-F166 HydrophobicContact CH2-CE2 4.24Å; W67-F166 AromaticContact CZ3-CD2 3.98Å; W67-F166 HydrophobicContact CZ3-CD2 3.98Å; W67-F166 AromaticContact CZ3-CE2 3.8Å; W67-F166 HydrophobicContact CZ3-CE2 3.8Å; F72-F166 HydrophobicContact CD2-CZ 4.45Å; F72-F166 HydrophobicContact CE2-CE2 4.01Å; F72-F166 AromaticContact CE2-CZ 3.74Å; F72-F166 HydrophobicContact CE2-CZ 3.74Å; F72-F166 AromaticContact CZ-CE2 3.72Å; F72-F166 HydrophobicContact CZ-CE2 3.72Å; F72-F166 AromaticContact CZ-CZ 3.93Å; F72-F166 HydrophobicContact CZ-CZ 3.93Å; V128-F166 HydrophobicContact CG1-CD1 3.95Å; V128-F166 HydrophobicContact CG1-CE1 4.27Å; N134-F166 PolarHBondContact ND2-O 2.84Å; N134-F166 PolarHBondContact OD1-N 2.86Å; L135-F166 HydrophobicContact CB-CB 3.94Å; L135-F166 HydrophobicContact CD1-CB 4.11Å; L135-F166 HydrophobicContact CD1-CD2 4.35Å; L139-F166 HydrophobicContact CD1-CB 4.3Å; L139-F166 HydrophobicContact CD1-CD1 3.56Å; L139-F166 HydrophobicContact CD1-CD2 4.39Å; L139-F166 HydrophobicContact CD1-CE1 3.91Å; L139-F166 HydrophobicContact CD1-CG 3.82Å; L139-F166 HydrophobicContact CD1-CZ 4.46Å; L142-F166 HydrophobicContact CD1-CD2 4.5Å; L142-F166 HydrophobicContact CD1-CE2 4.23Å; F166-L168 HydrophobicContact CE1-CB 3.57Å; F166-L168 HydrophobicContact CE1-CD2 4.44Å; F166-L168 HydrophobicContact CZ-CB 3.89Å; F166-I286 HydrophobicContact CE2-CG2 3.93Å; F166-I286 HydrophobicContact CZ-CG2 4.34Å; F166-V288 HydrophobicContact CD2-CG2 4.43Å
167W98.8Very high98.6Very high11 Ų1127.5 Ų27.54%0.04217%0.174CC..EExtended strand (participates in β ladder)trans-128.4128.4-177.9-56.989.6000111.3Y127 V128 Q129 Q131 Y186 I286 A287 N289Y127-W167 HydrophobicContact CE1-CE3 4.07Å; Y127-W167 HydrophobicContact CE1-CZ3 4Å; Y127-W167 HydrophobicContact CE2-CB 4.35Å; Y127-W167 AromaticContact CE2-CE3 3.77Å; Y127-W167 HydrophobicContact CE2-CE3 3.77Å; Y127-W167 AromaticContact CZ-CE3 3.33Å; Y127-W167 AromaticContact CZ-CZ3 3.71Å; Y127-W167 WeakPolarHBondContact OH-CZ3 3.44Å; V128-W167 WeakPolarHBondContact O-CA 3.49Å; Q129-W167 HydrophobicContact CB-CE3 3.61Å; Q129-W167 HydrophobicContact CB-CZ3 3.44Å; Q129-W167 VanDerWaalsContact CB-CZ3 3.44Å; Q131-W167 HydrophobicContact CG-CH2 3.67Å; Q131-W167 HydrophobicContact CG-CZ2 3.95Å; Q131-W167 HydrophobicContact CG-CZ3 4.46Å; Q131-W167 VanDerWaalsContact NE2-CH2 3.3Å; W167-Y186 HydrophobicContact CZ2-CE2 4.46Å; W167-I286 WeakPolarHBondContact O-CA 3.47Å; W167-A287 HydrophobicContact CB-CB 4.19Å; W167-A287 PolarHBondContact N-O 2.98Å; W167-A287 PolarHBondContact O-N 2.98Å; W167-N289 PolarHBondContact NE1-OD1 2.81Å
168L98.8Very high98.6Very high0 Ų027.2 Ų27.20%017%0.172CC..EExtended strand (participates in β ladder)trans-150.2118.4173.317468.4000109.7L69 L109 L113 L116 Y127 V128 F166 C285 I286L69-L168 HydrophobicContact CD2-CD1 3.96Å; L109-L168 HydrophobicContact CD1-CD2 3.92Å; L113-L168 HydrophobicContact CD2-CD2 3.81Å; L116-L168 HydrophobicContact CD1-CD1 3.72Å; L116-L168 HydrophobicContact CD1-CD2 3.94Å; L116-L168 HydrophobicContact CD1-CG 3.73Å; Y127-L168 WeakPolarHBondContact CD2-O 3.25Å; V128-L168 HydrophobicContact CB-CB 4.19Å; V128-L168 WeakPolarHBondContact CB-O 3.23Å; V128-L168 HydrophobicContact CG2-CB 4.28Å; V128-L168 PolarHBondContact N-O 3.04Å; V128-L168 PolarHBondContact O-N 2.77Å; F166-L168 HydrophobicContact CE1-CB 3.57Å; F166-L168 HydrophobicContact CE1-CD2 4.44Å; F166-L168 HydrophobicContact CZ-CB 3.89Å; L168-C285 WeakPolarHBondContact CA-O 3.33Å; L168-I286 HydrophobicContact CD1-CG1 3.99Å
169G98.3Very high98.6Very high0 Ų026.7 Ų26.70%015%0.15CC..EExtended strand (participates in β ladder)trans-151.4167.4-174.800000115.2Y127 G284Y127-G169 VanDerWaalsContact CD2-CA 3.49Å; G169-G284 WeakPolarHBondContact O-CA 3.17Å; G169-G284 PolarHBondContact O-N 2.95Å
170E98.8Very high98.6Very high34 Ų3425 Ų2516%0.15914%0.144CC..  trans-68.9156.5169.5-72.1-175.283.700111.7L116 V125 L126 A172 A173 Q281L116-E170 HydrophobicContact CD2-CB 4.31Å; L116-E170 HydrophobicContact CD2-CG 3.52Å; V125-E170 WeakPolarHBondContact CA-OE2 3.41Å; V125-E170 HydrophobicContact CG1-CB 3.87Å; L126-E170 PolarHBondContact N-OE2 3.18Å; L126-E170 PolarHBondContact O-N 3.39Å; E170-A172 PolarHBondContact O-N 3.29Å; E170-A173 WeakPolarHBondContact O-CB 3.36Å; E170-A173 PolarHBondContact O-N 3.39Å; E170-Q281 WeakPolarHBondContact O-CG 3.25Å; E170-Q281 PolarHBondContact O-NE2 3.2Å
171A98.6Very high98.6Very high43 Ų4321.8 Ų21.836%0.35513%0.132SC..THydrogen-bonded Turntrans-62.2-30176.500000112.5A173 Q281 Q283A171-A173 VanDerWaalsContact C-N 3.26Å; A171-A173 PolarHBondContact O-N 3.15Å; A171-Q281 WeakPolarHBondContact CA-O 3.2Å; A171-Q283 HydrophobicContact CB-CB 4.11Å
172A98.5Very high98.6Very high48 Ų4823.4 Ų23.440%0.39714%0.135SC..THydrogen-bonded Turntrans-73.3-17177.300000113G89 V125 E170 V174G89-A172 WeakPolarHBondContact CA-O 3.35Å; V125-A172 HydrophobicContact CG1-CB 3.94Å; V125-A172 HydrophobicContact CG2-CB 3.99Å; E170-A172 PolarHBondContact O-N 3.29Å; A172-V174 PolarHBondContact O-N 3.07Å
173A98.6Very high98.6Very high2 Ų219.7 Ų19.72%0.01712%0.115CC..  trans-74.4115.1178.100000110.2G89 V125 Y127 E170 A171 Q281G89-A173 CarbonylContact O-C 3.49Å; G89-A173 WeakPolarHBondContact O-CA 3.43Å; V125-A173 HydrophobicContact CG1-CB 3.92Å; Y127-A173 HydrophobicContact CD1-CB 3.8Å; Y127-A173 HydrophobicContact CG-CB 3.85Å; E170-A173 WeakPolarHBondContact O-CB 3.36Å; E170-A173 PolarHBondContact O-N 3.39Å; A171-A173 VanDerWaalsContact C-N 3.26Å; A171-A173 PolarHBondContact O-N 3.15Å; A173-Q281 PolarHBondContact O-NE2 3.5Å
174V98.7Very high98.6Very high6 Ų619.5 Ų19.54%0.03611%0.112CC..EExtended strand (participates in β ladder)trans-121.3130.7-175.3177.10000109.4G89 Y90 A172 H278 Q280G89-V174 PolarHBondContact O-N 2.79Å; Y90-V174 HydrophobicContact CD1-CB 4.01Å; Y90-V174 HydrophobicContact CD1-CG1 4.03Å; Y90-V174 HydrophobicContact CE1-CB 3.77Å; Y90-V174 HydrophobicContact CE1-CG1 3.55Å; Y90-V174 HydrophobicContact CE1-CG2 4.44Å; Y90-V174 HydrophobicContact CE2-CB 4.39Å; Y90-V174 HydrophobicContact CG-CB 4.44Å; A172-V174 PolarHBondContact O-N 3.07Å; V174-H278 WeakPolarHBondContact CG1-NE2 3.45Å; V174-Q280 HydrophobicContact CG1-CG 4.48Å; V174-Q280 HydrophobicContact CG2-CG 4.31Å
175T98.4Very high98.7Very high18 Ų1819 Ų1911%0.1111%0.109CC..EExtended strand (participates in β ladder)trans-91.1119.9170.9-51.80000108.9H178 H278 V279T175-H178 WeakPolarHBondContact CG2-CE1 3.16Å; T175-H278 PolarHBondContact O-CD2 2.71Å; T175-V279 PolarHBondContact N-O 3.33Å; T175-V279 PolarHBondContact O-N 3.4Å; T175-V279 VanDerWaalsContact O-N 3.08Å
176S98.4Very high98.7Very high14 Ų1419.4 Ų19.410%0.09811%0.111CC..EExtended strand (participates in β ladder)trans-64.5166-177.778.90000112.3D92 H178 W237D92-S176 PolarHBondContact O-OG 3.2Å; S176-H178 PolarHBondContact O-N 3.19Å; S176-H178 PolarHBondContact O-ND1 3.16Å; S176-W237 PolarHBondContact OG-NE1 3.41Å
177L98.8Very high98.7Very high3 Ų319.4 Ų19.42%0.01611%0.111CC..EExtended strand (participates in β ladder)trans-65.6119.9-178.1-169.764.6000110.2I238 P242 F276 H277 H278L177-I238 HydrophobicContact CB-CD1 4.42Å; L177-I238 HydrophobicContact CB-CG2 4.43Å; L177-I238 HydrophobicContact CD2-CD1 4.27Å; L177-I238 HydrophobicContact CD2-CG2 4.25Å; L177-I238 HydrophobicContact CG-CD1 4.02Å; L177-I238 WeakPolarHBondContact O-CD1 3.47Å; L177-P242 HydrophobicContact CB-CG 4.23Å; L177-P242 HydrophobicContact CD2-CB 4.3Å; L177-P242 HydrophobicContact CD2-CG 4.42Å; L177-F276 HydrophobicContact CD1-CB 3.95Å; L177-F276 HydrophobicContact CG-CB 4.32Å; L177-H277 WeakPolarHBondContact CA-O 3.46Å; L177-H278 HydrophobicContact CB-CB 4.36Å; L177-H278 HydrophobicContact CD1-CB 3.99Å
178H98.8Very high98.7Very high16 Ų1618.9 Ų18.97%0.07411%0.109CC..EExtended strand (participates in β ladder)trans-153.8178.9179.368.5-65.5000110.1T175 S176 D180 W237 F276 H277T175-H178 WeakPolarHBondContact CG2-CE1 3.16Å; S176-H178 PolarHBondContact O-N 3.19Å; S176-H178 PolarHBondContact O-ND1 3.16Å; H178-D180 IonicContact CD2-OD1 3.68Å; H178-D180 IonicContact NE2-OD1 3.07Å; H178-D180 IonicContact NE2-OD2 2.73Å; H178-W237 HydrophobicContact CB-CH2 3.98Å; H178-W237 HydrophobicContact CB-CZ2 3.73Å; H178-F276 CarbonylContact O-C 3.57Å; H178-F276 WeakPolarHBondContact O-CA 3.47Å; H178-H277 AromaticContact CD2-CE1 3.91Å; H178-H277 AromaticContact CE1-CD2 3.64Å; H178-H277 AromaticContact CE1-CE1 3.62Å; H178-H277 AromaticContact CE1-NE2 3.16Å; H178-H277 PolarHBondContact CE1-NE2 2.69Å; H178-H277 PolarHBondContact N-O 3.17Å; H178-H277 VanDerWaalsContact N-O 3.15Å; H178-H277 PolarHBondContact ND1-O 3.09Å; H178-H277 AromaticContact NE2-CE1 3.41Å; H178-H277 PolarHBondContact NE2-CE1 3.15Å; H178-H277 AromaticContact NE2-NE2 3.19Å; H178-H277 PolarHBondContact NE2-NE2 2.78Å; H178-H277 VanDerWaalsContact NE2-NE2 3.19Å; H178-H277 PolarHBondContact O-N 3Å; H178-H277 PolarHBondContact O-ND1 3.37Å
179K98.8Very high98.7Very high58 Ų5819.3 Ų19.325%0.25211%0.111SC..  trans-137.6150.7175.761.3167.6-176.164.40110.4L274 F276 F303K179-L274 WeakPolarHBondContact CB-O 3.13Å; K179-L274 HydrophobicContact CD-CD2 4.45Å; K179-F276 HydrophobicContact CB-CD1 3.92Å; K179-F276 HydrophobicContact CB-CE1 4.19Å; K179-F276 HydrophobicContact CB-CG 4.44Å; K179-F276 HydrophobicContact CD-CD1 4.31Å; K179-F276 HydrophobicContact CD-CE1 3.7Å; K179-F276 HydrophobicContact CD-CZ 3.97Å; K179-F276 HydrophobicContact CG-CD1 4.11Å; K179-F276 HydrophobicContact CG-CE1 3.9Å; K179-F303 HydrophobicContact CD-CE1 4.18Å; K179-F303 HydrophobicContact CD-CZ 3.75Å; K179-F303 VanDerWaalsContact CE-CZ 3.43Å
180D98.6Very high98.7Very high22 Ų2221.4 Ų21.412%0.11813%0.126CC..  trans-116.6148.2179.2-61.7-42.8000111.9H178 Y182 L274 H277H178-D180 IonicContact CD2-OD1 3.68Å; H178-D180 IonicContact NE2-OD1 3.07Å; H178-D180 IonicContact NE2-OD2 2.73Å; D180-Y182 HydrophobicContact CB-CD2 4.33Å; D180-Y182 PolarHBondContact O-N 2.86Å; D180-Y182 VanDerWaalsContact O-N 3.15Å; D180-L274 PolarHBondContact O-N 2.85Å; D180-H277 IonicContact OD2-CE1 2.83Å; D180-H277 PolarHBondContact OD2-CE1 3.11Å; D180-H277 IonicContact OD2-NE2 2.84Å
181P98.3Very high98.7Very high47 Ų4721.3 Ų21.331%0.30513%0.134SC..SBendtrans-8234.7170.336.9-35.9000112.3M294P181-M294 HydrophobicContact CB-CG 4.43Å; P181-M294 HydrophobicContact CB-SD 4.13Å; P181-M294 WeakPolarHBondContact O-CB 3.41Å; P181-M294 VanDerWaalsContact O-CG 3.29Å; P181-M294 WeakPolarHBondContact O-CG 3.49Å; P181-M294 PolarHBondContact O-N 2.98Å; P181-M294 VanDerWaalsContact O-N 3.13Å
182Y98.8Very high98.7Very high58 Ų5822.1 Ų22.123%0.22713%0.131CC..EExtended strand (participates in β ladder)trans-128140.5-175.9-70.6-77.9000111.3D162 D180 N184 A273 W291 Y292 D293D162-Y182 HydrophobicContact CB-CE1 4.19Å; D180-Y182 HydrophobicContact CB-CD2 4.33Å; D180-Y182 PolarHBondContact O-N 2.86Å; D180-Y182 VanDerWaalsContact O-N 3.15Å; Y182-N184 PolarHBondContact O-N 3.04Å; Y182-A273 VanDerWaalsContact O-CA 3.28Å; Y182-A273 WeakPolarHBondContact O-CA 3.4Å; Y182-W291 HydrophobicContact CD1-CB 3.73Å; Y182-W291 HydrophobicContact CD1-CG 4.23Å; Y182-W291 AromaticContact CD2-CD2 3.93Å; Y182-W291 HydrophobicContact CD2-CD2 3.93Å; Y182-W291 AromaticContact CD2-CE3 3.86Å; Y182-W291 HydrophobicContact CD2-CE3 3.86Å; Y182-W291 HydrophobicContact CD2-CG 4.3Å; Y182-W291 HydrophobicContact CD2-CZ3 4.19Å; Y182-W291 HydrophobicContact CE1-CB 4.35Å; Y182-W291 HydrophobicContact CE2-CD2 4.45Å; Y182-W291 AromaticContact CE2-CE3 3.93Å; Y182-W291 HydrophobicContact CE2-CE3 3.93Å; Y182-W291 HydrophobicContact CE2-CZ3 4.1Å; Y182-W291 HydrophobicContact CG-CB 3.9Å; Y182-W291 HydrophobicContact CG-CD2 4.01Å; Y182-W291 HydrophobicContact CG-CE3 4.27Å; Y182-W291 AromaticContact CG-CG 3.88Å; Y182-W291 HydrophobicContact CG-CG 3.88Å; Y182-Y292 CarbonylContact C-O 3.03Å; Y182-Y292 WeakPolarHBondContact CA-O 3.48Å; Y182-D293 HydrophobicContact CD1-CB 4.34Å; Y182-D293 HydrophobicContact CE1-CB 4.03Å
183E98.9Very high98.8Very high12 Ų1219.9 Ų19.96%0.05611%0.112CC..EExtended strand (participates in β ladder)trans-74.5112.8160.8-56.1-6517900107.8L157 Y270 P272 A273 Y292L157-E183 HydrophobicContact CD1-CB 4.18Å; L157-E183 HydrophobicContact CD2-CG 4.29Å; E183-Y270 HydrophobicContact CB-CE2 4.25Å; E183-Y270 VanDerWaalsContact OE2-CE2 3.31Å; E183-Y270 WeakPolarHBondContact OE2-CE2 3.22Å; E183-Y270 PolarHBondContact OE2-OH 2.92Å; E183-P272 WeakPolarHBondContact OE2-CA 3.39Å; E183-A273 HydrophobicContact CG-CB 4.45Å; E183-A273 PolarHBondContact OE2-N 2.7Å; E183-Y292 PolarHBondContact N-O 3.3Å; E183-Y292 PolarHBondContact O-N 3.13Å
184N98.9Very high98.8Very high5 Ų522.4 Ų22.43%0.02712%0.123CC..EExtended strand (participates in β ladder)trans-109121-168.4-172.2-1000111.3Y182 L271 N289 W291Y182-N184 PolarHBondContact O-N 3.04Å; N184-L271 HydrophobicContact CB-CB 4.12Å; N184-L271 HydrophobicContact CB-CG 4.48Å; N184-L271 PolarHBondContact N-O 3.39Å; N184-L271 PolarHBondContact O-N 2.98Å; N184-N289 WeakPolarHBondContact OD1-CB 3.45Å; N184-N289 PolarHBondContact OD1-ND2 3.3Å; N184-W291 VanDerWaalsContact CG-CD1 3.45Å; N184-W291 VanDerWaalsContact CG-NE1 3.32Å; N184-W291 PolarHBondContact ND2-NE1 2.95Å; N184-W291 VanDerWaalsContact ND2-NE1 3.13Å
185L98.9Very high98.8Very high2 Ų222.3 Ų22.31%0.0112%0.123CC..EExtended strand (participates in β ladder)trans-103.599.2170.8-63.9177.4000109.5F41 V150 W152 A153 M268 L269 Y270 N289 F290 Y292F41-L185 HydrophobicContact CZ-CD2 4.08Å; V150-L185 HydrophobicContact CB-CD1 3.68Å; V150-L185 HydrophobicContact CG1-CD1 3.98Å; V150-L185 HydrophobicContact CG2-CD1 3.66Å; W152-L185 HydrophobicContact CH2-CD1 4.45Å; W152-L185 HydrophobicContact CH2-CD2 4.32Å; A153-L185 HydrophobicContact CB-CD1 3.43Å; A153-L185 VanDerWaalsContact CB-CD1 3.43Å; L185-M268 HydrophobicContact CB-CG 4.38Å; L185-M268 HydrophobicContact CB-SD 4.14Å; L185-M268 HydrophobicContact CD1-SD 4.31Å; L185-M268 HydrophobicContact CD2-SD 3.97Å; L185-M268 HydrophobicContact CG-SD 4.38Å; L185-L269 CarbonylContact C-O 3.59Å; L185-L269 WeakPolarHBondContact CA-O 3.35Å; L185-Y270 HydrophobicContact CD2-CD2 3.87Å; L185-Y270 HydrophobicContact CD2-CG 4.31Å; L185-N289 VanDerWaalsContact O-CA 3.25Å; L185-N289 WeakPolarHBondContact O-CA 3.43Å; L185-F290 HydrophobicContact CB-CB 4.38Å; L185-F290 HydrophobicContact CB-CD2 4.27Å; L185-F290 PolarHBondContact N-O 2.97Å; L185-F290 PolarHBondContact O-N 3.31Å; L185-Y292 HydrophobicContact CD1-CE2 3.96Å
186Y98.9Very high98.8Very high9 Ų921.7 Ų21.74%0.03512%0.119CC..EExtended strand (participates in β ladder)trans-96.3110.9-174-151.3-75.6000111.1W167 V188 K193 F195 M268 L269 A287 N289W167-Y186 HydrophobicContact CZ2-CE2 4.46Å; Y186-V188 HydrophobicContact CD1-CG2 4.49Å; Y186-K193 HydrophobicContact CE1-CD 4.05Å; Y186-K193 HydrophobicContact CE1-CG 3.94Å; Y186-K193 WeakPolarHBondContact OH-CE 3.19Å; Y186-K193 PolarHBondContact OH-NZ 2.72Å; Y186-F195 HydrophobicContact CD1-CE2 4.4Å; Y186-F195 AromaticContact CD1-CZ 3.87Å; Y186-F195 HydrophobicContact CD1-CZ 3.87Å; Y186-F195 HydrophobicContact CD2-CZ 4.12Å; Y186-F195 HydrophobicContact CE1-CZ 4.12Å; Y186-F195 HydrophobicContact CE2-CZ 4.36Å; Y186-F195 AromaticContact CG-CZ 3.87Å; Y186-F195 HydrophobicContact CG-CZ 3.87Å; Y186-M268 CarbonylContact O-C 3.45Å; Y186-M268 WeakPolarHBondContact O-CA 3.33Å; Y186-L269 PolarHBondContact N-O 2.85Å; Y186-L269 PolarHBondContact O-N 3.04Å; Y186-A287 HydrophobicContact CD1-CB 4.3Å; Y186-A287 HydrophobicContact CE1-CB 3.55Å; Y186-N289 HydrophobicContact CD2-CB 3.69Å; Y186-N289 HydrophobicContact CE2-CB 4.12Å; Y186-N289 HydrophobicContact CG-CB 4.13Å
187C98.9Very high98.8Very high0 Ų021 Ų210%011%0.114CC..EExtended strand (participates in β ladder)trans-107.7119.5-172.4-52.40000110.3L58 W61 M268 A287 V288L58-C187 HydrophobicContact CD1-CB 3.8Å; L58-C187 HydrophobicContact CD2-CB 4.02Å; W61-C187 HydrophobicContact CH2-CB 4.11Å; W61-C187 HydrophobicContact CZ3-CB 4.1Å; C187-M268 WeakPolarHBondContact SG-CE 3.28Å; C187-A287 CarbonylContact O-C 3.58Å; C187-A287 VanDerWaalsContact O-CA 3.24Å; C187-A287 WeakPolarHBondContact O-CA 3.16Å; C187-A287 WeakPolarHBondContact O-CB 3.44Å; C187-V288 WeakPolarHBondContact CA-O 3.35Å; C187-V288 VanDerWaalsContact CB-O 3.24Å; C187-V288 WeakPolarHBondContact CB-O 3.42Å; C187-V288 PolarHBondContact N-O 3.04Å; C187-V288 PolarHBondContact O-N 2.89Å; C187-V288 VanDerWaalsContact O-O 3.14Å
188V98.9Very high98.8Very high0 Ų021 Ų210%011%0.113CC..EExtended strand (participates in β ladder)trans-93.4123.4175.5179.40000109.1Y186 G191 K193 V263 A265 G266 E267 A287Y186-V188 HydrophobicContact CD1-CG2 4.49Å; V188-G191 WeakPolarHBondContact CG1-O 3.26Å; V188-K193 HydrophobicContact CG2-CB 4.06Å; V188-K193 HydrophobicContact CG2-CG 3.82Å; V188-V263 HydrophobicContact CB-CG1 4.24Å; V188-V263 HydrophobicContact CG2-CB 3.91Å; V188-V263 HydrophobicContact CG2-CG1 3.67Å; V188-A265 CarbonylContact O-C 3.47Å; V188-A265 WeakPolarHBondContact O-CA 3.25Å; V188-G266 PolarHBondContact O-N 3.43Å; V188-E267 PolarHBondContact N-O 2.99Å; V188-E267 VanDerWaalsContact N-O 3.11Å; V188-A287 HydrophobicContact CG2-CB 4.45Å
189V98.9Very high98.8Very high8 Ų820.3 Ų20.35%0.04811%0.11CC..EExtended strand (participates in β ladder)trans-96.4-38.3-179.7-176.20000110.8A63 W67 I286A63-V189 HydrophobicContact CB-CG1 4.08Å; A63-V189 WeakPolarHBondContact O-CG1 3.36Å; W67-V189 HydrophobicContact CB-CG1 3.88Å; W67-V189 HydrophobicContact CD2-CG1 4.26Å; W67-V189 HydrophobicContact CE3-CB 4.13Å; W67-V189 HydrophobicContact CE3-CG1 3.85Å; W67-V189 HydrophobicContact CE3-CG2 4.03Å; W67-V189 HydrophobicContact CG-CG1 4.31Å; W67-V189 HydrophobicContact CZ3-CG2 4.24Å; V189-I286 HydrophobicContact CB-CG2 4.29Å; V189-I286 PolarHBondContact N-O 3.2Å
190S98.9Very high98.8Very high45 Ų4518.6 Ų18.632%0.31511%0.105SC..EExtended strand (participates in β ladder)trans-146.9144.5176.6-175.10000110.9C285 I286S190-C285 WeakPolarHBondContact O-CA 3.44Å; S190-C285 PolarHBondContact O-SG 2.6Å; S190-C285 VanDerWaalsContact O-SG 3.39Å; S190-I286 PolarHBondContact N-O 3.34Å; S190-I286 VanDerWaalsContact N-O 3.12Å; S190-I286 PolarHBondContact O-N 3.02Å
191G98.8Very high98.8Very high31 Ų3118.2 Ų18.232%0.3211%0.105SC..SBendtrans79.5-151.5-174.300000112.8V188 A265 S282V188-G191 WeakPolarHBondContact CG1-O 3.26Å; G191-A265 PolarHBondContact O-N 3.05Å; G191-A265 VanDerWaalsContact O-N 3.12Å; G191-S282 WeakPolarHBondContact CA-OG 3.2Å
192E98.8Very high98.9Very high60 Ų6016 Ų1628%0.289%0.09SC..EExtended strand (participates in β ladder)trans-146.9152.3176.659.3-176.6-168.400112.7H194 T262 V263 R264 Q281 S282E192-H194 IonicContact OE1-CE1 3.51Å; E192-H194 PolarHBondContact OE1-CE1 3.48Å; E192-H194 VanDerWaalsContact OE1-CE1 3.25Å; E192-H194 IonicContact OE1-NE2 3.7Å; E192-T262 HydrophobicContact CB-CG2 3.97Å; E192-T262 HydrophobicContact CG-CG2 4.33Å; E192-V263 VanDerWaalsContact CA-O 3.3Å; E192-V263 WeakPolarHBondContact CA-O 3.44Å; E192-R264 HydrophobicContact CB-CG 4.16Å; E192-R264 IonicContact OE2-CZ 3.87Å; E192-R264 IonicContact OE2-NE 3.82Å; E192-R264 PolarHBondContact OE2-NE 3.48Å; E192-R264 IonicContact OE2-NH2 2.73Å; E192-Q281 WeakPolarHBondContact O-CA 3.36Å; E192-S282 PolarHBondContact N-OG 2.75Å; E192-S282 PolarHBondContact O-N 3.05Å
193K98.9Very high98.9Very high1 Ų113.2 Ų13.20%0.0048%0.079CC..EExtended strand (participates in β ladder)trans-116.4134.5175.1-75-88.4173.61770109.5Y127 Y186 V188 F195 T262 V263 V279 Q280 Q281Y127-K193 PolarHBondContact OH-NZ 3.36Å; Y186-K193 HydrophobicContact CE1-CD 4.05Å; Y186-K193 HydrophobicContact CE1-CG 3.94Å; Y186-K193 WeakPolarHBondContact OH-CE 3.19Å; Y186-K193 PolarHBondContact OH-NZ 2.72Å; V188-K193 HydrophobicContact CG2-CB 4.06Å; V188-K193 HydrophobicContact CG2-CG 3.82Å; K193-F195 HydrophobicContact CB-CD2 4.16Å; K193-F195 HydrophobicContact CB-CE2 3.52Å; K193-F195 HydrophobicContact CB-CZ 4.3Å; K193-F195 HydrophobicContact CG-CE2 4.43Å; K193-T262 CarbonylContact O-C 3.56Å; K193-T262 VanDerWaalsContact O-CA 3.29Å; K193-T262 WeakPolarHBondContact O-CA 3.14Å; K193-V263 PolarHBondContact N-O 3.28Å; K193-V263 PolarHBondContact O-N 3.15Å; K193-V279 HydrophobicContact CD-CG1 3.64Å; K193-Q280 WeakPolarHBondContact CA-O 3.48Å; K193-Q281 HydrophobicContact CD-CB 3.87Å; K193-Q281 VanDerWaalsContact NZ-CD 3.34Å
194H98.9Very high98.9Very high55 Ų5512.8 Ų12.826%0.2558%0.078SC..EExtended strand (participates in β ladder)trans-109.2118.5176.7-47.7-73.6000109.2E192 T262 V279 Q280E192-H194 IonicContact OE1-CE1 3.51Å; E192-H194 PolarHBondContact OE1-CE1 3.48Å; E192-H194 VanDerWaalsContact OE1-CE1 3.25Å; E192-H194 IonicContact OE1-NE2 3.7Å; H194-T262 WeakPolarHBondContact ND1-CG2 3.31Å; H194-T262 PolarHBondContact ND1-OG1 3.06Å; H194-V279 WeakPolarHBondContact O-CA 3.31Å; H194-Q280 HydrophobicContact CB-CB 4.28Å; H194-Q280 PolarHBondContact N-O 3.39Å; H194-Q280 PolarHBondContact O-N 3.41Å
195F98.9Very high98.8Very high5 Ų512.9 Ų12.92%0.0228%0.077CC..EExtended strand (participates in β ladder)trans-106.9132.5179.6-69.7-97.8000110Y186 K193 L197 R260 C261 V263 L269 H278 V279Y186-F195 HydrophobicContact CD1-CE2 4.4Å; Y186-F195 AromaticContact CD1-CZ 3.87Å; Y186-F195 HydrophobicContact CD1-CZ 3.87Å; Y186-F195 HydrophobicContact CD2-CZ 4.12Å; Y186-F195 HydrophobicContact CE1-CZ 4.12Å; Y186-F195 HydrophobicContact CE2-CZ 4.36Å; Y186-F195 AromaticContact CG-CZ 3.87Å; Y186-F195 HydrophobicContact CG-CZ 3.87Å; K193-F195 HydrophobicContact CB-CD2 4.16Å; K193-F195 HydrophobicContact CB-CE2 3.52Å; K193-F195 HydrophobicContact CB-CZ 4.3Å; K193-F195 HydrophobicContact CG-CE2 4.43Å; F195-L197 HydrophobicContact CB-CD2 3.9Å; F195-L197 HydrophobicContact CB-CG 4.15Å; F195-L197 HydrophobicContact CD1-CD2 4.21Å; F195-L197 HydrophobicContact CG-CD2 4.49Å; F195-R260 WeakPolarHBondContact O-CA 3.48Å; F195-C261 PolarHBondContact N-O 3.39Å; F195-C261 PolarHBondContact O-N 3.14Å; F195-V263 HydrophobicContact CD2-CG2 3.81Å; F195-V263 HydrophobicContact CE2-CB 4.42Å; F195-V263 HydrophobicContact CE2-CG2 3.73Å; F195-L269 HydrophobicContact CD1-CD2 3.93Å; F195-L269 HydrophobicContact CD2-CD2 3.71Å; F195-L269 HydrophobicContact CE1-CD2 3.97Å; F195-L269 HydrophobicContact CE2-CD2 3.74Å; F195-L269 HydrophobicContact CG-CD2 3.81Å; F195-L269 HydrophobicContact CZ-CD2 3.89Å; F195-H278 WeakPolarHBondContact CA-O 3.38Å; F195-V279 HydrophobicContact CD1-CG1 4.36Å; F195-V279 HydrophobicContact CD1-CG2 3.7Å; F195-V279 HydrophobicContact CE1-CB 4.42Å; F195-V279 HydrophobicContact CE1-CG1 4Å; F195-V279 HydrophobicContact CE1-CG2 3.53Å; F195-V279 HydrophobicContact CE2-CG1 4.48Å; F195-V279 HydrophobicContact CZ-CG1 4.06Å; F195-V279 HydrophobicContact CZ-CG2 4.38Å
196L98.9Very high98.8Very high5 Ų512.8 Ų12.83%0.0268%0.077CC..EExtended strand (participates in β ladder)trans-106.7123.2160.5-176.5158.8000107.1P242 L243 A258 L259 H277 H278L196-P242 HydrophobicContact CD1-CB 3.83Å; L196-P242 HydrophobicContact CD1-CG 4.23Å; L196-P242 HydrophobicContact CD2-CB 3.75Å; L196-P242 HydrophobicContact CD2-CG 4.18Å; L196-P242 HydrophobicContact CG-CB 4.43Å; L196-L243 HydrophobicContact CD1-CD2 3.93Å; L196-A258 HydrophobicContact CD1-CB 4.32Å; L196-A258 HydrophobicContact CD2-CB 3.85Å; L196-A258 HydrophobicContact CG-CB 3.93Å; L196-L259 CarbonylContact C-O 3.35Å; L196-L259 WeakPolarHBondContact CA-O 3.26Å; L196-H277 CarbonylContact O-C 3.57Å; L196-H277 VanDerWaalsContact O-CA 3.27Å; L196-H277 WeakPolarHBondContact O-CA 3.35Å; L196-H278 HydrophobicContact CB-CB 4.3Å; L196-H278 PolarHBondContact N-O 3.33Å; L196-H278 PolarHBondContact O-N 2.92Å
197L98.9Very high98.8Very high0 Ų012.7 Ų12.70%08%0.078CC..EExtended strand (participates in β ladder)trans-120.8140.8-170.9-55179.9000110.8V29 P51 F195 A258 L259 L271 W275 F276 H277V29-L197 HydrophobicContact CG2-CD1 4.1Å; P51-L197 HydrophobicContact CB-CD1 4.23Å; P51-L197 HydrophobicContact CG-CD1 4.29Å; F195-L197 HydrophobicContact CB-CD2 3.9Å; F195-L197 HydrophobicContact CB-CG 4.15Å; F195-L197 HydrophobicContact CD1-CD2 4.21Å; F195-L197 HydrophobicContact CG-CD2 4.49Å; L197-A258 CarbonylContact O-C 3.56Å; L197-A258 WeakPolarHBondContact O-CA 3.38Å; L197-L259 HydrophobicContact CB-CB 4.22Å; L197-L259 PolarHBondContact N-O 3.45Å; L197-L259 PolarHBondContact O-N 3.09Å; L197-L271 HydrophobicContact CD2-CD1 3.78Å; L197-W275 HydrophobicContact CB-CE3 4Å; L197-W275 HydrophobicContact CB-CZ3 4.14Å; L197-F276 CarbonylContact C-O 3.47Å; L197-F276 VanDerWaalsContact CA-O 3.26Å; L197-F276 WeakPolarHBondContact CA-O 3.22Å; L197-H277 HydrophobicContact CD2-CB 3.46Å; L197-H277 VanDerWaalsContact CD2-CB 3.46Å
198H98.9Very high98.8Very high1 Ų114.5 Ų14.51%0.0059%0.085CC..EExtended strand (participates in β ladder)trans-123.5139161.5-69.1-93.1000110.2D202 I206 Y253 A258 F276H198-D202 HydrophobicContact CB-CB 4.08Å; H198-D202 IonicContact CE1-OD2 2.66Å; H198-D202 IonicContact CG-OD2 3.56Å; H198-D202 IonicContact ND1-OD2 3.26Å; H198-D202 PolarHBondContact ND1-OD2 3.03Å; H198-I206 HydrophobicContact CB-CD1 3.77Å; H198-Y253 AromaticContact CE1-CE2 3.83Å; H198-Y253 AromaticContact CE1-CZ 3.96Å; H198-Y253 AromaticContact NE2-CE2 3.61Å; H198-Y253 AromaticContact NE2-CZ 3.57Å; H198-Y253 PolarHBondContact NE2-OH 2.91Å; H198-A258 PolarHBondContact CE1-N 3.25Å; H198-F276 HydrophobicContact CB-CB 4.05Å; H198-F276 HydrophobicContact CB-CD2 4.26Å; H198-F276 PolarHBondContact N-O 2.89Å; H198-F276 PolarHBondContact O-N 2.98Å
199P98.8Very high98.7Very high2 Ų217.3 Ų17.31%0.01310%0.098CC..  trans-65.6155.9174.329.8-35.5000110.7V25 S201 D202 W275V25-P199 HydrophobicContact CG2-CB 3.9Å; V25-P199 HydrophobicContact CG2-CG 4.22Å; P199-S201 PolarHBondContact O-N 3.35Å; P199-D202 HydrophobicContact CG-CB 4.34Å; P199-D202 WeakPolarHBondContact O-CB 3.39Å; P199-D202 PolarHBondContact O-N 3.5Å; P199-W275 HydrophobicContact CB-CE3 4.48Å; P199-W275 HydrophobicContact CB-CH2 3.8Å; P199-W275 HydrophobicContact CB-CZ2 3.83Å; P199-W275 HydrophobicContact CB-CZ3 4.13Å
200P98.8Very high98.7Very high22 Ų2222.2 Ų22.214%0.14312%0.123CC..G310 helixtrans-55.4-26.9176.1-2330.8000113.2D202 R203 L274 F303P200-D202 VanDerWaalsContact C-N 3.27Å; P200-D202 PolarHBondContact O-N 3.3Å; P200-R203 WeakPolarHBondContact O-CB 3.35Å; P200-R203 PolarHBondContact O-N 3.39Å; P200-L274 HydrophobicContact CB-CB 4.28Å; P200-L274 HydrophobicContact CG-CB 3.92Å; P200-F303 HydrophobicContact CB-CD2 3.74Å; P200-F303 HydrophobicContact CB-CE2 3.99Å
201S98.8Very high98.7Very high15 Ų1520.6 Ų20.611%0.10511%0.11CC..G310 helixtrans-68.4-19.5177.557.20000114.3P17 P199 R203 P204P17-S201 WeakPolarHBondContact CB-O 3.39Å; P17-S201 VanDerWaalsContact CG-O 3.31Å; P17-S201 WeakPolarHBondContact CG-O 3.2Å; P199-S201 PolarHBondContact O-N 3.35Å; S201-R203 PolarHBondContact O-N 3.28Å; S201-P204 VanDerWaalsContact O-CD 3.25Å; S201-P204 WeakPolarHBondContact O-CD 3Å
202D98.8Very high98.6Very high0 Ų021 Ų210%011%0.107CC..G310 helixtrans-75.4-2.9175.2-89.95.2000112.4R21 H198 P199 P200 P204 F205 I206 A256 Q257R21-D202 IonicContact NH1-OD1 2.77Å; R21-D202 PolarHBondContact NH1-OD1 3.27Å; H198-D202 HydrophobicContact CB-CB 4.08Å; H198-D202 IonicContact CE1-OD2 2.66Å; H198-D202 IonicContact CG-OD2 3.56Å; H198-D202 IonicContact ND1-OD2 3.26Å; H198-D202 PolarHBondContact ND1-OD2 3.03Å; P199-D202 HydrophobicContact CG-CB 4.34Å; P199-D202 WeakPolarHBondContact O-CB 3.39Å; P199-D202 PolarHBondContact O-N 3.5Å; P200-D202 VanDerWaalsContact C-N 3.27Å; P200-D202 PolarHBondContact O-N 3.3Å; D202-P204 VanDerWaalsContact C-N 3.31Å; D202-P204 VanDerWaalsContact O-N 3.12Å; D202-F205 PolarHBondContact O-N 2.96Å; D202-I206 HydrophobicContact CB-CD1 3.99Å; D202-I206 HydrophobicContact CB-CG1 4.49Å; D202-I206 PolarHBondContact O-N 2.94Å; D202-A256 HydrophobicContact CB-CB 4.33Å; D202-A256 WeakPolarHBondContact OD2-CB 3.41Å; D202-Q257 PolarHBondContact OD2-N 3.02Å
203R98.8Very high98.6Very high0 Ų018.2 Ų18.20%09%0.094CC..G310 helixtrans-45.3-41.6-179.8173.360.4-171.996.8-1.4115.2P200 S201 F205 I206 F276 F303 L306 D307 D316P200-R203 WeakPolarHBondContact O-CB 3.35Å; P200-R203 PolarHBondContact O-N 3.39Å; S201-R203 PolarHBondContact O-N 3.28Å; R203-F205 PolarHBondContact O-N 3.02Å; R203-I206 PolarHBondContact NH1-O 3.28Å; R203-I206 PolarHBondContact O-N 3.12Å; R203-I206 VanDerWaalsContact O-N 3.14Å; R203-F276 HydrophobicContact CB-CE2 4.29Å; R203-F276 HydrophobicContact CB-CZ 4.3Å; R203-F303 HydrophobicContact CB-CE2 4.16Å; R203-F303 HydrophobicContact CG-CE2 4.34Å; R203-L306 HydrophobicContact CB-CD2 4.1Å; R203-D307 HydrophobicContact CG-CB 4.48Å; R203-D307 IonicContact CZ-OD1 2.78Å; R203-D307 IonicContact NE-OD1 3.4Å; R203-D307 PolarHBondContact NE-OD1 2.9Å; R203-D307 IonicContact NH2-OD1 2.71Å; R203-D307 PolarHBondContact NH2-OD1 3.13Å; R203-D316 IonicContact CZ-OD2 2.68Å; R203-D316 IonicContact NH1-OD2 2.69Å; R203-D316 PolarHBondContact NH1-OD2 3.24Å; R203-D316 IonicContact NH2-OD2 2.78Å; R203-D316 PolarHBondContact NH2-OD2 3.29Å
204P98.8Very high98.6Very high3 Ų318.2 Ų18.22%0.0199%0.094CC..G310 helixtrans-59.6-15.4177.3-2737.5000115.7L13 P17 S201 D202 L306 T310L13-P204 WeakPolarHBondContact O-CB 3.25Å; L13-P204 WeakPolarHBondContact O-CG 3.35Å; P17-P204 HydrophobicContact CG-CB 4.26Å; P17-P204 HydrophobicContact CG-CG 3.99Å; S201-P204 VanDerWaalsContact O-CD 3.25Å; S201-P204 WeakPolarHBondContact O-CD 3Å; D202-P204 VanDerWaalsContact C-N 3.31Å; D202-P204 VanDerWaalsContact O-N 3.12Å; P204-L306 HydrophobicContact CG-CD1 3.82Å; P204-L306 HydrophobicContact CG-CG 4.31Å; P204-T310 HydrophobicContact CB-CG2 4.45Å
205F98.8Very high98.6Very high6 Ų616.9 Ų16.93%0.0269%0.089CC..G310 helixtrans-114.5-1.4-179.5-60.5-41.9000113.4R14 P17 D202 R203 Y253 Q255 A256R14-F205 HydrophobicContact CB-CE1 4.18Å; R14-F205 HydrophobicContact CB-CZ 4.05Å; R14-F205 HydrophobicContact CG-CE1 3.97Å; R14-F205 HydrophobicContact CG-CZ 4.36Å; R14-F205 VanDerWaalsContact O-CZ 3.24Å; R14-F205 WeakPolarHBondContact O-CZ 3.24Å; P17-F205 HydrophobicContact CB-CD2 4.01Å; P17-F205 HydrophobicContact CB-CE2 3.81Å; P17-F205 HydrophobicContact CG-CD2 3.83Å; P17-F205 HydrophobicContact CG-CE2 3.58Å; P17-F205 HydrophobicContact CG-CZ 4.32Å; D202-F205 PolarHBondContact O-N 2.96Å; R203-F205 PolarHBondContact O-N 3.02Å; F205-Y253 WeakPolarHBondContact O-CA 3.2Å; F205-Q255 HydrophobicContact CD1-CB 4.1Å; F205-Q255 HydrophobicContact CD2-CB 3.73Å; F205-Q255 HydrophobicContact CE1-CB 3.84Å; F205-Q255 HydrophobicContact CE1-CG 4.37Å; F205-Q255 HydrophobicContact CE2-CB 3.45Å; F205-Q255 VanDerWaalsContact CE2-CB 3.45Å; F205-Q255 HydrophobicContact CG-CB 4.04Å; F205-Q255 HydrophobicContact CZ-CB 3.5Å; F205-Q255 VanDerWaalsContact CZ-CB 3.5Å; F205-Q255 HydrophobicContact CZ-CG 4.25Å; F205-A256 HydrophobicContact CB-CB 3.93Å; F205-A256 HydrophobicContact CD2-CB 4.5Å
206I98.7Very high98.5Very high1 Ų117.4 Ų17.41%0.0059%0.092CC..SBendtrans-101.7112.9178.8-65.8172.1000107.9H198 D202 R203 Y208 I238 F276H198-I206 HydrophobicContact CB-CD1 3.77Å; D202-I206 HydrophobicContact CB-CD1 3.99Å; D202-I206 HydrophobicContact CB-CG1 4.49Å; D202-I206 PolarHBondContact O-N 2.94Å; R203-I206 PolarHBondContact NH1-O 3.28Å; R203-I206 PolarHBondContact O-N 3.12Å; R203-I206 VanDerWaalsContact O-N 3.14Å; I206-Y208 HydrophobicContact CG2-CE2 4.36Å; I206-I238 HydrophobicContact CG2-CD1 3.48Å; I206-I238 VanDerWaalsContact CG2-CD1 3.48Å; I206-I238 HydrophobicContact CG2-CG1 3.88Å; I206-I238 HydrophobicContact CG2-CG2 4.18Å; I206-F276 HydrophobicContact CD1-CB 4.22Å; I206-F276 HydrophobicContact CD1-CD1 4.23Å; I206-F276 HydrophobicContact CD1-CD2 3.31Å; I206-F276 HydrophobicContact CD1-CE1 4.46Å; I206-F276 HydrophobicContact CD1-CE2 3.59Å; I206-F276 HydrophobicContact CD1-CG 3.66Å; I206-F276 HydrophobicContact CD1-CZ 4.17Å; I206-F276 HydrophobicContact CG2-CD1 4.45Å; I206-F276 HydrophobicContact CG2-CE1 4.35Å
207P98.3Very high98.5Very high7 Ų722 Ų225%0.04511%0.113CC..  trans-72.2143.8-174.529-34.5000111.9I238 P239 L240 Y250 D316P207-I238 WeakPolarHBondContact O-CA 3.38Å; P207-P239 HydrophobicContact CB-CG 4.33Å; P207-P239 HydrophobicContact CG-CG 4.27Å; P207-P239 WeakPolarHBondContact O-CD 3.39Å; P207-L240 HydrophobicContact CG-CB 3.87Å; P207-L240 HydrophobicContact CG-CD1 4.3Å; P207-Y250 HydrophobicContact CB-CD1 3.51Å; P207-Y250 HydrophobicContact CB-CE1 3.69Å; P207-Y250 HydrophobicContact CB-CG 4.21Å; P207-Y250 HydrophobicContact CG-CD1 3.67Å; P207-Y250 HydrophobicContact CG-CD2 4.36Å; P207-Y250 HydrophobicContact CG-CE1 4.03Å; P207-Y250 HydrophobicContact CG-CG 3.85Å; P207-D316 WeakPolarHBondContact CA-OD1 3.3Å
208Y98.5Very high98.3Very high37 Ų3723.3 Ų23.315%0.14512%0.12CC..  trans-129.5133.3169.8-91.3-92.3000110I206 P236 I238 F276 D316I206-Y208 HydrophobicContact CG2-CE2 4.36Å; Y208-P236 HydrophobicContact CD1-CB 4.08Å; Y208-I238 HydrophobicContact CD1-CG1 4.27Å; Y208-I238 HydrophobicContact CD2-CG1 3.93Å; Y208-I238 HydrophobicContact CE1-CG1 3.88Å; Y208-I238 HydrophobicContact CE2-CD1 3.77Å; Y208-I238 HydrophobicContact CE2-CG1 3.5Å; Y208-I238 HydrophobicContact CG-CG1 4.3Å; Y208-I238 VanDerWaalsContact CZ-CG1 3.48Å; Y208-F276 AromaticContact CE2-CE1 3.88Å; Y208-F276 HydrophobicContact CE2-CE1 3.88Å; Y208-F276 HydrophobicContact CE2-CZ 4.48Å; Y208-D316 WeakPolarHBondContact CB-OD2 3.45Å; Y208-D316 PolarHBondContact N-OD1 2.94Å; Y208-D316 PolarHBondContact N-OD2 3.15Å
209E97.9Very high98Very high60 Ų6024.6 Ų24.628%0.2813%0.128SC..EExtended strand (participates in β ladder)trans-129.6158.5172.8-65.2179.6-147.300110Y211 P236 W237 P239 R249 Y250E209-Y211 HydrophobicContact CB-CD2 4.35Å; E209-Y211 HydrophobicContact CB-CE2 3.49Å; E209-Y211 VanDerWaalsContact CB-CE2 3.49Å; E209-Y211 VanDerWaalsContact O-CD2 3.32Å; E209-Y211 WeakPolarHBondContact O-CD2 3.23Å; E209-Y211 PolarHBondContact OE2-OH 2.84Å; E209-P236 WeakPolarHBondContact O-CA 3.39Å; E209-W237 PolarHBondContact N-O 3.33Å; E209-W237 PolarHBondContact O-N 3Å; E209-P239 HydrophobicContact CG-CG 4.39Å; E209-R249 IonicContact OE1-CZ 3.12Å; E209-R249 IonicContact OE1-NE 3.56Å; E209-R249 IonicContact OE1-NH2 2.79Å; E209-R249 PolarHBondContact OE1-NH2 3.29Å; E209-R249 IonicContact OE2-NH2 2.68Å; E209-R249 PolarHBondContact OE2-NH2 3.33Å; E209-Y250 WeakPolarHBondContact OE1-CE1 3.19Å; E209-Y250 PolarHBondContact OE1-OH 3.24Å
210L97.9Very high97.6Very high111 Ų11134 Ų3458%0.58117%0.172SC*.EExtended strand (participates in β ladder)trans-92.6117.9178.2-73.3173000110.7K234 P236L210-K234 HydrophobicContact CB-CB 4.19Å; L210-K234 HydrophobicContact CB-CD 4.15Å; L210-K234 HydrophobicContact CD2-CB 4.38Å; L210-P236 HydrophobicContact CD2-CB 3.93Å; L210-P236 HydrophobicContact CD2-CG 4.45Å
211Y98.3Very high97.2Very high10 Ų1040.1 Ų40.14%0.03920%0.198CC..EExtended strand (participates in β ladder)trans-112.1144.5-177.8-68-81000112V94 F99 E209 P213 K234 V235 W237 P239V94-Y211 HydrophobicContact CB-CE2 4.47Å; V94-Y211 HydrophobicContact CG1-CD1 3.99Å; V94-Y211 HydrophobicContact CG1-CE1 3.44Å; V94-Y211 VanDerWaalsContact CG1-CE1 3.44Å; V94-Y211 HydrophobicContact CG1-CE2 4.11Å; V94-Y211 HydrophobicContact CG2-CD1 4.45Å; V94-Y211 HydrophobicContact CG2-CD2 3.7Å; V94-Y211 HydrophobicContact CG2-CE1 4.27Å; V94-Y211 HydrophobicContact CG2-CE2 3.47Å; V94-Y211 VanDerWaalsContact CG2-CE2 3.47Å; V94-Y211 HydrophobicContact CG2-CG 4.2Å; F99-Y211 HydrophobicContact CB-CG 4.41Å; E209-Y211 HydrophobicContact CB-CD2 4.35Å; E209-Y211 HydrophobicContact CB-CE2 3.49Å; E209-Y211 VanDerWaalsContact CB-CE2 3.49Å; E209-Y211 VanDerWaalsContact O-CD2 3.32Å; E209-Y211 WeakPolarHBondContact O-CD2 3.23Å; E209-Y211 PolarHBondContact OE2-OH 2.84Å; Y211-P213 WeakPolarHBondContact O-CD 3.18Å; Y211-K234 CarbonylContact O-C 3.55Å; Y211-K234 WeakPolarHBondContact O-CA 3.49Å; Y211-K234 WeakPolarHBondContact O-CB 3.44Å; Y211-V235 PolarHBondContact N-O 3.01Å; Y211-V235 PolarHBondContact O-N 3.31Å; Y211-W237 HydrophobicContact CD2-CB 4.2Å; Y211-P239 HydrophobicContact CE2-CB 4.35Å; Y211-P239 VanDerWaalsContact OH-CB 3.24Å; Y211-P239 WeakPolarHBondContact OH-CB 3.28Å
212T98.3Very high96.8Very high41 Ų4140.8 Ų40.825%0.25221%0.207SC..EExtended strand (participates in β ladder)trans-67.7125.6165.4-59.80000108R98 F99 D228R98-T212 WeakPolarHBondContact CA-O 3.33Å; R98-T212 VanDerWaalsContact CD-O 3.3Å; R98-T212 WeakPolarHBondContact CD-O 3.48Å; F99-T212 PolarHBondContact N-O 3Å; F99-T212 VanDerWaalsContact N-O 3.1Å; T212-D228 HydrophobicContact CG2-CB 4.48Å
213P98.4Very high96.7Very high1 Ų144.1 Ų44.11%0.00623%0.228CC..EExtended strand (participates in β ladder)trans-69.4143.217628.3-33.8000110.5F99 M101 Y211 E229 M232 E233 V235F99-P213 HydrophobicContact CD1-CB 4.48Å; F99-P213 CarbonylContact O-C 3.55Å; F99-P213 WeakPolarHBondContact O-CA 3.38Å; M101-P213 HydrophobicContact CE-CB 4.41Å; Y211-P213 WeakPolarHBondContact O-CD 3.18Å; P213-E229 HydrophobicContact CB-CB 4.35Å; P213-E229 HydrophobicContact CG-CB 4.19Å; P213-E229 PolarHBondContact O-N 3.12Å; P213-M232 HydrophobicContact CB-CB 4.44Å; P213-M232 HydrophobicContact CB-SD 4.45Å; P213-M232 HydrophobicContact CG-CB 3.47Å; P213-M232 VanDerWaalsContact CG-CB 3.47Å; P213-M232 HydrophobicContact CG-SD 4.42Å; P213-E233 WeakPolarHBondContact CD-O 3.4Å; P213-E233 WeakPolarHBondContact CG-O 3.46Å; P213-V235 HydrophobicContact CB-CG2 4.06Å; P213-V235 HydrophobicContact CG-CG2 4.35Å
214A98.5Very high96.6Very high0 Ų046.3 Ų46.30%024%0.237CC..EExtended strand (participates in β ladder)trans-144.1161.9174.700000109.5R98 F99 V100 M101 V226 V227R98-A214 HydrophobicContact CB-CB 4.28Å; R98-A214 HydrophobicContact CG-CB 4.37Å; F99-A214 PolarHBondContact O-N 3.05Å; V100-A214 CarbonylContact C-O 3.5Å; V100-A214 WeakPolarHBondContact CA-O 3.37Å; V100-A214 HydrophobicContact CG2-CB 4.44Å; M101-A214 PolarHBondContact N-O 2.98Å; A214-V226 HydrophobicContact CB-CG1 3.46Å; A214-V226 VanDerWaalsContact CB-CG1 3.46Å; A214-V227 CarbonylContact C-O 3.6Å; A214-V227 WeakPolarHBondContact CA-O 3.28Å; A214-V227 WeakPolarHBondContact CB-O 3.28Å
215T98.4Very high96.5Very high27 Ų2752 Ų5217%0.16626%0.262CS..EExtended strand (participates in β ladder)trans-124.7139.8177.8-54.40000109.8M101 P102 V227 E229M101-T215 HydrophobicContact CB-CG2 4.48Å; M101-T215 WeakPolarHBondContact CE-OG1 3.45Å; P102-T215 WeakPolarHBondContact O-CG2 3.29Å; T215-V227 PolarHBondContact N-O 2.91Å; T215-V227 PolarHBondContact O-N 3.14Å; T215-E229 WeakPolarHBondContact CB-OE1 3.32Å; T215-E229 PolarHBondContact OG1-OE1 3.4Å
216Y98.4Very high96.5Very high17 Ų1755 Ų557%0.06728%0.281CS..EExtended strand (participates in β ladder)trans-66.9136.5168.6-76.9-59.9000111T86 P87 V100 M101 A103 F224 K225 V226T86-Y216 HydrophobicContact CG2-CD2 4.26Å; T86-Y216 HydrophobicContact CG2-CE2 4.39Å; P87-Y216 HydrophobicContact CG-CD1 4.28Å; P87-Y216 HydrophobicContact CG-CE1 3.66Å; P87-Y216 HydrophobicContact CG-CE2 4.1Å; V100-Y216 HydrophobicContact CB-CE2 4.15Å; V100-Y216 HydrophobicContact CG1-CD1 3.97Å; V100-Y216 HydrophobicContact CG1-CD2 3.51Å; V100-Y216 HydrophobicContact CG1-CE1 3.91Å; V100-Y216 HydrophobicContact CG1-CE2 3.46Å; V100-Y216 VanDerWaalsContact CG1-CE2 3.46Å; V100-Y216 HydrophobicContact CG1-CG 3.78Å; M101-Y216 WeakPolarHBondContact O-CD2 3.49Å; M101-Y216 PolarHBondContact O-N 3.27Å; A103-Y216 WeakPolarHBondContact CA-O 3.32Å; A103-Y216 WeakPolarHBondContact CB-O 3.24Å; Y216-F224 HydrophobicContact CD1-CB 4.29Å; Y216-F224 HydrophobicContact CD1-CD1 4.43Å; Y216-F224 HydrophobicContact CG-CD1 4.45Å; Y216-K225 CarbonylContact C-O 3.58Å; Y216-K225 WeakPolarHBondContact CA-O 3.23Å; Y216-V226 HydrophobicContact CD1-CG2 3.93Å; Y216-V226 HydrophobicContact CE1-CG2 3.61Å
217Q97Very high96.5Very high101 Ų10157.4 Ų57.447%0.47230%0.295SS..EExtended strand (participates in β ladder)trans-117.7120.7167.4-66.7-170.55.700109.7F224 K225 V227Q217-F224 WeakPolarHBondContact O-CA 3.31Å; Q217-K225 PolarHBondContact N-O 3.39Å; Q217-K225 PolarHBondContact O-N 2.95Å; Q217-V227 HydrophobicContact CB-CG2 4.36Å; Q217-V227 VanDerWaalsContact CD-CG2 3.48Å; Q217-V227 HydrophobicContact CG-CB 4.36Å; Q217-V227 HydrophobicContact CG-CG2 3.83Å
218L94.6Very high96.4Very high28 Ų2859.8 Ų59.815%0.14731%0.308CS..EExtended strand (participates in β ladder)trans-84.3118.1171.4178.862.9000109.5V85 R105 P123 T223 F224V85-L218 HydrophobicContact CG1-CD2 4.5Å; R105-L218 PolarHBondContact NH2-O 3.15Å; R105-L218 VanDerWaalsContact NH2-O 3.11Å; P123-L218 HydrophobicContact CG-CD1 3.93Å; P123-L218 HydrophobicContact CG-CD2 4.32Å; L218-T223 WeakPolarHBondContact CA-O 3.4Å; L218-F224 HydrophobicContact CB-CD1 4.49Å; L218-F224 HydrophobicContact CB-CE1 4.19Å; L218-F224 HydrophobicContact CD1-CD1 4.45Å; L218-F224 HydrophobicContact CD1-CD2 4.3Å; L218-F224 HydrophobicContact CD1-CE1 4.09Å; L218-F224 HydrophobicContact CD1-CE2 3.92Å; L218-F224 HydrophobicContact CD1-CZ 3.81Å
219T93.6Very high96.3Very high27 Ų2761.2 Ų61.217%0.16632%0.316CS..  trans-81.1164.9178.377.20000112.2E221 G222 T223 K225T219-E221 WeakPolarHBondContact CB-OE2 3.46Å; T219-E221 PolarHBondContact O-N 2.68Å; T219-E221 PolarHBondContact OG1-N 3.37Å; T219-E221 PolarHBondContact OG1-OE2 3.07Å; T219-G222 PolarHBondContact O-N 3.32Å; T219-T223 PolarHBondContact N-O 2.93Å; T219-T223 PolarHBondContact OG1-N 2.73Å; T219-T223 PolarHBondContact OG1-O 2.97Å; T219-T223 PolarHBondContact OG1-OG1 3.12Å; T219-K225 HydrophobicContact CG2-CD 3.96Å; T219-K225 HydrophobicContact CG2-CG 4.18Å
220E89.4Confident95.8Very high201 Ų20167.5 Ų67.594%0.93935%0.345SS*.THydrogen-bonded Turntrans-62.7-26177.2-65.8-173.917700112.6G222E220-G222 PolarHBondContact O-N 2.78Å
221E90.8Very high95.5Very high149 Ų14967.2 Ų67.270%0.69636%0.358SS*.THydrogen-bonded Turntrans-781.7175-50.180.6-173.900113.4T219T219-E221 WeakPolarHBondContact CB-OE2 3.46Å; T219-E221 PolarHBondContact O-N 2.68Å; T219-E221 PolarHBondContact OG1-N 3.37Å; T219-E221 PolarHBondContact OG1-OE2 3.07Å
222G91.2Very high95.2Very high29 Ų2971.3 Ų71.330%0.29938%0.379SS..SBendtrans77.423.8179.900000114.1P123 T219 E220P123-G222 WeakPolarHBondContact CB-O 3.38Å; T219-G222 PolarHBondContact O-N 3.32Å; E220-G222 PolarHBondContact O-N 2.78Å
223T95.4Very high95.1Very high71 Ų7177.8 Ų77.844%0.43641%0.407SS..  trans-107.4154.7177.767.80000111.9L218 T219L218-T223 WeakPolarHBondContact CA-O 3.4Å; T219-T223 PolarHBondContact N-O 2.93Å; T219-T223 PolarHBondContact OG1-N 2.73Å; T219-T223 PolarHBondContact OG1-O 2.97Å; T219-T223 PolarHBondContact OG1-OG1 3.12Å
224F97.5Very high95Very high45 Ų4583.6 Ų83.620%0.19743%0.432CS..EExtended strand (participates in β ladder)trans-102.9134.1178.6-69.3-92.7000111.3V85 P87 Y216 Q217 L218V85-F224 HydrophobicContact CG1-CE1 3.82Å; V85-F224 HydrophobicContact CG1-CZ 3.73Å; P87-F224 HydrophobicContact CB-CB 4.2Å; P87-F224 HydrophobicContact CB-CD1 4.43Å; P87-F224 HydrophobicContact CB-CD2 3.66Å; P87-F224 HydrophobicContact CB-CE2 4.1Å; P87-F224 HydrophobicContact CB-CG 3.84Å; P87-F224 HydrophobicContact CG-CB 4.32Å; P87-F224 HydrophobicContact CG-CD1 4.47Å; P87-F224 HydrophobicContact CG-CD2 4.48Å; P87-F224 HydrophobicContact CG-CG 4.18Å; Y216-F224 HydrophobicContact CD1-CB 4.29Å; Y216-F224 HydrophobicContact CD1-CD1 4.43Å; Y216-F224 HydrophobicContact CG-CD1 4.45Å; Q217-F224 WeakPolarHBondContact O-CA 3.31Å; L218-F224 HydrophobicContact CB-CD1 4.49Å; L218-F224 HydrophobicContact CB-CE1 4.19Å; L218-F224 HydrophobicContact CD1-CD1 4.45Å; L218-F224 HydrophobicContact CD1-CD2 4.3Å; L218-F224 HydrophobicContact CD1-CE1 4.09Å; L218-F224 HydrophobicContact CD1-CE2 3.92Å; L218-F224 HydrophobicContact CD1-CZ 3.81Å
225K97.3Very high94.9Very high123 Ų12385.2 Ų85.254%0.53544%0.441SS..EExtended strand (participates in β ladder)trans-118.1143.7170-65.3179.8-179172.30109.6Y216 Q217 T219Y216-K225 CarbonylContact C-O 3.58Å; Y216-K225 WeakPolarHBondContact CA-O 3.23Å; Q217-K225 PolarHBondContact N-O 3.39Å; Q217-K225 PolarHBondContact O-N 2.95Å; T219-K225 HydrophobicContact CG2-CD 3.96Å; T219-K225 HydrophobicContact CG2-CG 4.18Å
226V98Very high94.8Very high70 Ų7087.1 Ų87.142%0.42445%0.454SS..EExtended strand (participates in β ladder)trans-93125.5170.2179.50000107.3V100 A214 Y216V100-V226 HydrophobicContact CG1-CG1 4.33Å; V100-V226 HydrophobicContact CG1-CG2 4.38Å; V100-V226 HydrophobicContact CG2-CG1 4.03Å; A214-V226 HydrophobicContact CB-CG1 3.46Å; A214-V226 VanDerWaalsContact CB-CG1 3.46Å; Y216-V226 HydrophobicContact CD1-CG2 3.93Å; Y216-V226 HydrophobicContact CE1-CG2 3.61Å
227V97.9Very high94.8Very high50 Ų5088.5 Ų88.530%0.30346%0.46SS..EExtended strand (participates in β ladder)trans-122.4120.2-179.9-1790000108.9A214 T215 Q217A214-V227 CarbonylContact C-O 3.6Å; A214-V227 WeakPolarHBondContact CA-O 3.28Å; A214-V227 WeakPolarHBondContact CB-O 3.28Å; T215-V227 PolarHBondContact N-O 2.91Å; T215-V227 PolarHBondContact O-N 3.14Å; Q217-V227 HydrophobicContact CB-CG2 4.36Å; Q217-V227 VanDerWaalsContact CD-CG2 3.48Å; Q217-V227 HydrophobicContact CG-CB 4.36Å; Q217-V227 HydrophobicContact CG-CG2 3.83Å
228D97.9Very high94.9Very high58 Ų5884 Ų8431%0.3144%0.439SS..EExtended strand (participates in β ladder)trans-64.5137.5-179.5-70.6-1.9000110.8R98 T212 E230R98-D228 WeakPolarHBondContact CD-OD1 3.34Å; R98-D228 IonicContact CZ-OD1 3.25Å; R98-D228 IonicContact CZ-OD2 3.5Å; R98-D228 IonicContact NE-OD1 3.64Å; R98-D228 PolarHBondContact NE-OD1 2.96Å; R98-D228 IonicContact NE-OD2 3.93Å; R98-D228 PolarHBondContact NE-OD2 3.49Å; R98-D228 IonicContact NH2-OD1 3.21Å; R98-D228 IonicContact NH2-OD2 3.15Å; R98-D228 PolarHBondContact NH2-OD2 3.44Å; T212-D228 HydrophobicContact CG2-CB 4.48Å; D228-E230 PolarHBondContact O-N 3.44Å
229E95.4Very high95.1Very high67 Ų6784 Ų8431%0.31344%0.44SS..  trans-89.179.6174.3-65.7-65.6162.600109.1M101 P213 T215 A231 M232M101-E229 HydrophobicContact CE-CG 3.75Å; P213-E229 HydrophobicContact CB-CB 4.35Å; P213-E229 HydrophobicContact CG-CB 4.19Å; P213-E229 PolarHBondContact O-N 3.12Å; T215-E229 WeakPolarHBondContact CB-OE1 3.32Å; T215-E229 PolarHBondContact OG1-OE1 3.4Å; E229-A231 PolarHBondContact O-N 2.84Å; E229-M232 HydrophobicContact CB-CB 4.12Å; E229-M232 HydrophobicContact CB-CG 3.97Å; E229-M232 HydrophobicContact CB-SD 3.78Å; E229-M232 HydrophobicContact CG-SD 4.04Å; E229-M232 PolarHBondContact O-N 3.47Å
230E88.2Confident95.3Very high191 Ų19183.1 Ų83.189%0.89344%0.435SS*.THydrogen-bonded Turntrans-57.3-25-170.2-64.1-173.517100114.6D228D228-E230 PolarHBondContact O-N 3.44Å
231A91.3Very high95.7Very high105 Ų10576.2 Ų76.287%0.86840%0.404SS*.THydrogen-bonded Turntrans-87.8-5.6-179.500000113.9E229E229-A231 PolarHBondContact O-N 2.84Å
232M91.6Very high96Very high97 Ų9769.6 Ų69.648%0.47837%0.374SS..SBendtrans-98.6144.5-177.9-68.2-17580.500111.9M101 P213 E229M101-M232 HydrophobicContact CE-SD 4.07Å; P213-M232 HydrophobicContact CB-CB 4.44Å; P213-M232 HydrophobicContact CB-SD 4.45Å; P213-M232 HydrophobicContact CG-CB 3.47Å; P213-M232 VanDerWaalsContact CG-CB 3.47Å; P213-M232 HydrophobicContact CG-SD 4.42Å; E229-M232 HydrophobicContact CB-CB 4.12Å; E229-M232 HydrophobicContact CB-CG 3.97Å; E229-M232 HydrophobicContact CB-SD 3.78Å; E229-M232 HydrophobicContact CG-SD 4.04Å; E229-M232 PolarHBondContact O-N 3.47Å
233E95.3Very high96.3Very high177 Ų17771.3 Ų71.383%0.82738%0.376SS*.PPolyproline II helixtrans-67.3158.9171.6-66-173.1172.100111.4P213 V235P213-E233 WeakPolarHBondContact CD-O 3.4Å; P213-E233 WeakPolarHBondContact CG-O 3.46Å; E233-V235 PolarHBondContact O-N 3.32Å
234K96.4Very high96.5Very high123 Ų12371.3 Ų71.354%0.53538%0.383SS..PPolyproline II helixtrans-61136.9174.3-70.8-169.5174.6-170.10110.8L210 Y211L210-K234 HydrophobicContact CB-CB 4.19Å; L210-K234 HydrophobicContact CB-CD 4.15Å; L210-K234 HydrophobicContact CD2-CB 4.38Å; Y211-K234 CarbonylContact O-C 3.55Å; Y211-K234 WeakPolarHBondContact O-CA 3.49Å; Y211-K234 WeakPolarHBondContact O-CB 3.44Å
235V96.7Very high96.5Very high33 Ų3371.3 Ų71.320%0.239%0.387CS..EExtended strand (participates in β ladder)trans-98.6126.4-178.6-178.80000109.2F99 Y211 P213 E233 W237F99-V235 HydrophobicContact CD1-CB 4.22Å; F99-V235 HydrophobicContact CD1-CG1 4.27Å; F99-V235 HydrophobicContact CD1-CG2 4.31Å; F99-V235 HydrophobicContact CE1-CG1 4.43Å; F99-V235 HydrophobicContact CG-CB 4.45Å; F99-V235 HydrophobicContact CG-CG1 4.45Å; Y211-V235 PolarHBondContact N-O 3.01Å; Y211-V235 PolarHBondContact O-N 3.31Å; P213-V235 HydrophobicContact CB-CG2 4.06Å; P213-V235 HydrophobicContact CG-CG2 4.35Å; E233-V235 PolarHBondContact O-N 3.32Å; V235-W237 HydrophobicContact CG1-CE3 4.08Å; V235-W237 PolarHBondContact O-N 2.98Å
236P97.8Very high96.5Very high67 Ų6769.5 Ų69.544%0.43538%0.384SS..EExtended strand (participates in β ladder)trans-72.2121.716928.7-31.4000109.7Y208 E209 L210Y208-P236 HydrophobicContact CD1-CB 4.08Å; E209-P236 WeakPolarHBondContact O-CA 3.39Å; L210-P236 HydrophobicContact CD2-CB 3.93Å; L210-P236 HydrophobicContact CD2-CG 4.45Å
237W98.6Very high96.5Very high47 Ų4769.9 Ų69.918%0.17838%0.383CS..EExtended strand (participates in β ladder)trans-139.8159.4177.6-150.1-98.9000112.6D92 V94 F99 S176 H178 E209 Y211 V235 P239D92-W237 HydrophobicContact CB-CZ2 4.33Å; D92-W237 WeakPolarHBondContact O-CZ2 3.42Å; D92-W237 PolarHBondContact O-NE1 2.86Å; V94-W237 HydrophobicContact CG2-CB 4.06Å; V94-W237 HydrophobicContact CG2-CG 4.37Å; F99-W237 HydrophobicContact CD2-CB 3.96Å; F99-W237 AromaticContact CD2-CD2 3.7Å; F99-W237 HydrophobicContact CD2-CD2 3.7Å; F99-W237 HydrophobicContact CD2-CE3 4.12Å; F99-W237 AromaticContact CD2-CG 3.61Å; F99-W237 HydrophobicContact CD2-CG 3.61Å; F99-W237 AromaticContact CE2-CD2 3.37Å; F99-W237 HydrophobicContact CE2-CD2 3.37Å; F99-W237 AromaticContact CE2-CE2 3.53Å; F99-W237 AromaticContact CE2-CE3 3.62Å; F99-W237 HydrophobicContact CE2-CE3 3.62Å; F99-W237 AromaticContact CE2-CG 3.81Å; F99-W237 HydrophobicContact CE2-CG 3.81Å; F99-W237 HydrophobicContact CE2-CH2 4.1Å; F99-W237 AromaticContact CE2-CZ2 3.9Å; F99-W237 HydrophobicContact CE2-CZ2 3.9Å; F99-W237 AromaticContact CE2-CZ3 3.98Å; F99-W237 HydrophobicContact CE2-CZ3 3.98Å; F99-W237 AromaticContact CE2-NE1 4Å; F99-W237 HydrophobicContact CZ-CD2 4.32Å; F99-W237 HydrophobicContact CZ-CE3 4.15Å; F99-W237 HydrophobicContact CZ-CH2 4.33Å; F99-W237 HydrophobicContact CZ-CZ3 4.15Å; S176-W237 PolarHBondContact OG-NE1 3.41Å; H178-W237 HydrophobicContact CB-CH2 3.98Å; H178-W237 HydrophobicContact CB-CZ2 3.73Å; E209-W237 PolarHBondContact N-O 3.33Å; E209-W237 PolarHBondContact O-N 3Å; Y211-W237 HydrophobicContact CD2-CB 4.2Å; V235-W237 HydrophobicContact CG1-CE3 4.08Å; V235-W237 PolarHBondContact O-N 2.98Å; W237-P239 WeakPolarHBondContact O-CD 3.33Å
238I98.6Very high96.5Very high6 Ų672 Ų723%0.03141%0.406CS..  trans-83117.2177.6-60.5169000108.6L177 I206 P207 Y208 L240 F276L177-I238 HydrophobicContact CB-CD1 4.42Å; L177-I238 HydrophobicContact CB-CG2 4.43Å; L177-I238 HydrophobicContact CD2-CD1 4.27Å; L177-I238 HydrophobicContact CD2-CG2 4.25Å; L177-I238 HydrophobicContact CG-CD1 4.02Å; L177-I238 WeakPolarHBondContact O-CD1 3.47Å; I206-I238 HydrophobicContact CG2-CD1 3.48Å; I206-I238 VanDerWaalsContact CG2-CD1 3.48Å; I206-I238 HydrophobicContact CG2-CG1 3.88Å; I206-I238 HydrophobicContact CG2-CG2 4.18Å; P207-I238 WeakPolarHBondContact O-CA 3.38Å; Y208-I238 HydrophobicContact CD1-CG1 4.27Å; Y208-I238 HydrophobicContact CD2-CG1 3.93Å; Y208-I238 HydrophobicContact CE1-CG1 3.88Å; Y208-I238 HydrophobicContact CE2-CD1 3.77Å; Y208-I238 HydrophobicContact CE2-CG1 3.5Å; Y208-I238 HydrophobicContact CG-CG1 4.3Å; Y208-I238 VanDerWaalsContact CZ-CG1 3.48Å; I238-L240 VanDerWaalsContact C-N 3.34Å; I238-L240 HydrophobicContact CG2-CB 4.2Å; I238-F276 HydrophobicContact CD1-CD1 3.73Å; I238-F276 HydrophobicContact CD1-CE1 4.01Å
239P98Very high96.5Very high28 Ų2875.8 Ų75.818%0.18242%0.416CS..  trans-83.7-11-178.133.2-36000114.5V94 P207 E209 Y211 W237 Y250V94-P239 HydrophobicContact CG1-CB 4.44Å; V94-P239 HydrophobicContact CG2-CB 4.39Å; P207-P239 HydrophobicContact CB-CG 4.33Å; P207-P239 HydrophobicContact CG-CG 4.27Å; P207-P239 WeakPolarHBondContact O-CD 3.39Å; E209-P239 HydrophobicContact CG-CG 4.39Å; Y211-P239 HydrophobicContact CE2-CB 4.35Å; Y211-P239 VanDerWaalsContact OH-CB 3.24Å; Y211-P239 WeakPolarHBondContact OH-CB 3.28Å; W237-P239 WeakPolarHBondContact O-CD 3.33Å; P239-Y250 HydrophobicContact CB-CE2 4.46Å; P239-Y250 WeakPolarHBondContact CB-OH 3.24Å; P239-Y250 HydrophobicContact CG-CE1 3.99Å; P239-Y250 HydrophobicContact CG-CE2 4Å; P239-Y250 VanDerWaalsContact CG-CZ 3.41Å; P239-Y250 WeakPolarHBondContact CG-OH 3.44Å
240L97.3Very high96.6Very high9 Ų973.6 Ų73.65%0.04741%0.405CS..  trans-86.5130.7-172.7179.3143.9000111.1P207 I238 P242 P245 Y250 Y253P207-L240 HydrophobicContact CG-CB 3.87Å; P207-L240 HydrophobicContact CG-CD1 4.3Å; I238-L240 VanDerWaalsContact C-N 3.34Å; I238-L240 HydrophobicContact CG2-CB 4.2Å; L240-P242 HydrophobicContact CD2-CB 4.25Å; L240-P242 WeakPolarHBondContact O-CD 3.38Å; L240-P245 HydrophobicContact CD1-CB 3.86Å; L240-P245 HydrophobicContact CD2-CB 4.16Å; L240-P245 HydrophobicContact CG-CB 4.09Å; L240-Y250 HydrophobicContact CB-CD2 4.34Å; L240-Y250 HydrophobicContact CD1-CD2 4.01Å; L240-Y250 HydrophobicContact CD1-CG 4.24Å; L240-Y253 HydrophobicContact CD1-CD1 3.63Å; L240-Y253 HydrophobicContact CD1-CD2 3.99Å; L240-Y253 HydrophobicContact CD1-CE1 4.26Å; L240-Y253 HydrophobicContact CD1-CG 3.47Å; L240-Y253 VanDerWaalsContact CD1-CG 3.47Å; L240-Y253 HydrophobicContact CD2-CD1 3.88Å; L240-Y253 HydrophobicContact CD2-CD2 3.97Å; L240-Y253 HydrophobicContact CD2-CE1 3.64Å; L240-Y253 HydrophobicContact CD2-CE2 3.75Å; L240-Y253 HydrophobicContact CD2-CG 4.04Å; L240-Y253 HydrophobicContact CG-CD1 4.4Å; L240-Y253 HydrophobicContact CG-CG 4.43Å
241D98.2Very high97.1Very high56 Ų5668.2 Ų68.230%0.29939%0.387SS..  trans-80.4114.1163.7-178.7-10.9000109.1L243 A244 P245D241-L243 PolarHBondContact O-N 3.36Å; D241-L243 WeakPolarHBondContact OD1-CB 3.44Å; D241-L243 PolarHBondContact OD1-N 2.91Å; D241-A244 CarbonylContact O-C 3.48Å; D241-A244 VanDerWaalsContact O-C 3.23Å; D241-A244 PolarHBondContact O-N 2.96Å; D241-P245 VanDerWaalsContact O-CA 3.26Å; D241-P245 WeakPolarHBondContact O-CA 3.32Å; D241-P245 VanDerWaalsContact O-N 3.09Å
242P98.3Very high97.4Very high9 Ų965 Ų656%0.05836%0.357CS..THydrogen-bonded Turntrans-71.3-12.9-177.632.2-37.8000113.6L177 L196 L240 Y253 H278L177-P242 HydrophobicContact CB-CG 4.23Å; L177-P242 HydrophobicContact CD2-CB 4.3Å; L177-P242 HydrophobicContact CD2-CG 4.42Å; L196-P242 HydrophobicContact CD1-CB 3.83Å; L196-P242 HydrophobicContact CD1-CG 4.23Å; L196-P242 HydrophobicContact CD2-CB 3.75Å; L196-P242 HydrophobicContact CD2-CG 4.18Å; L196-P242 HydrophobicContact CG-CB 4.43Å; L240-P242 HydrophobicContact CD2-CB 4.25Å; L240-P242 WeakPolarHBondContact O-CD 3.38Å; P242-Y253 VanDerWaalsContact CB-OH 3.26Å; P242-Y253 WeakPolarHBondContact CB-OH 3.4Å; P242-H278 HydrophobicContact CG-CB 3.76Å
243L97.7Very high97.7Very high65 Ų6561 Ų6134%0.3434%0.337SS..THydrogen-bonded Turntrans-83.4-29.8175.2-60-176.1000112.4L196 D241 Q280L196-L243 HydrophobicContact CD1-CD2 3.93Å; D241-L243 PolarHBondContact O-N 3.36Å; D241-L243 WeakPolarHBondContact OD1-CB 3.44Å; D241-L243 PolarHBondContact OD1-N 2.91Å; L243-Q280 HydrophobicContact CD1-CG 4.49Å
244A97.9Very high97.9Very high72 Ų7256.4 Ų56.460%0.59533%0.325SS*.SBendtrans-140.467.2179.800000110.5D241 D246D241-A244 CarbonylContact O-C 3.48Å; D241-A244 VanDerWaalsContact O-C 3.23Å; D241-A244 PolarHBondContact O-N 2.96Å; A244-D246 PolarHBondContact O-N 2.69Å
245P97.9Very high98Very high44 Ų4455 Ų5529%0.28632%0.32SS..  trans-67.3130.5-172.127-35.6000111.9L240 D241 L247 Y253L240-P245 HydrophobicContact CD1-CB 3.86Å; L240-P245 HydrophobicContact CD2-CB 4.16Å; L240-P245 HydrophobicContact CG-CB 4.09Å; D241-P245 VanDerWaalsContact O-CA 3.26Å; D241-P245 WeakPolarHBondContact O-CA 3.32Å; D241-P245 VanDerWaalsContact O-N 3.09Å; P245-L247 VanDerWaalsContact C-N 3.3Å; P245-L247 HydrophobicContact CB-CD2 4.03Å; P245-L247 HydrophobicContact CB-CG 4.34Å; P245-L247 HydrophobicContact CG-CD2 4.22Å; P245-L247 HydrophobicContact CG-CG 4.28Å; P245-L247 PolarHBondContact O-N 3.16Å; P245-Y253 HydrophobicContact CB-CD1 3.53Å; P245-Y253 HydrophobicContact CB-CE1 3.68Å; P245-Y253 HydrophobicContact CG-CD1 4.05Å; P245-Y253 HydrophobicContact CG-CE1 3.95Å
246D97.8Very high98Very high85 Ų8554.1 Ų54.146%0.45532%0.316SS..  trans-73.785.2168.3-175.6-10000109.7A244 A248 R249 Y250A244-D246 PolarHBondContact O-N 2.69Å; D246-A248 PolarHBondContact O-N 2.92Å; D246-A248 WeakPolarHBondContact OD1-CB 3.31Å; D246-A248 PolarHBondContact OD1-N 3.49Å; D246-R249 HydrophobicContact CB-CB 4.39Å; D246-R249 PolarHBondContact O-N 2.83Å; D246-R249 PolarHBondContact OD1-N 3.15Å; D246-Y250 PolarHBondContact O-N 3.07Å
247L98Very high98Very high78 Ų7854.9 Ų54.941%0.40831%0.314SS..THydrogen-bonded Turntrans-72.7-9.3178.5-61.7-178.8000113.2P245 P251 Y253P245-L247 VanDerWaalsContact C-N 3.3Å; P245-L247 HydrophobicContact CB-CD2 4.03Å; P245-L247 HydrophobicContact CB-CG 4.34Å; P245-L247 HydrophobicContact CG-CD2 4.22Å; P245-L247 HydrophobicContact CG-CG 4.28Å; P245-L247 PolarHBondContact O-N 3.16Å; L247-P251 WeakPolarHBondContact O-CA 3.34Å; L247-P251 WeakPolarHBondContact O-CB 3.4Å; L247-Y253 HydrophobicContact CD2-CD1 4.2Å
248A97.9Very high98Very high96 Ų9654.4 Ų54.479%0.79332%0.32SS*.THydrogen-bonded Turntrans-74.9-41170.500000110.1D246D246-A248 PolarHBondContact O-N 2.92Å; D246-A248 WeakPolarHBondContact OD1-CB 3.31Å; D246-A248 PolarHBondContact OD1-N 3.49Å
249R97.3Very high98Very high136 Ų13654.6 Ų54.651%0.51332%0.321SS..THydrogen-bonded Turntrans-80.3-39.7174.9-169.3171.7174.7-175.8-8.5112.9E209 D246 P251E209-R249 IonicContact OE1-CZ 3.12Å; E209-R249 IonicContact OE1-NE 3.56Å; E209-R249 IonicContact OE1-NH2 2.79Å; E209-R249 PolarHBondContact OE1-NH2 3.29Å; E209-R249 IonicContact OE2-NH2 2.68Å; E209-R249 PolarHBondContact OE2-NH2 3.33Å; D246-R249 HydrophobicContact CB-CB 4.39Å; D246-R249 PolarHBondContact O-N 2.83Å; D246-R249 PolarHBondContact OD1-N 3.15Å; R249-P251 VanDerWaalsContact C-CD 3.42Å; R249-P251 WeakPolarHBondContact O-CD 3.41Å
250Y98.1Very high98Very high22 Ų2261.4 Ų61.49%0.08634%0.343CS..  trans-124.663.3-175.1-49.9-70.4000112.1P207 E209 P239 L240 D246 S252 Y253P207-Y250 HydrophobicContact CB-CD1 3.51Å; P207-Y250 HydrophobicContact CB-CE1 3.69Å; P207-Y250 HydrophobicContact CB-CG 4.21Å; P207-Y250 HydrophobicContact CG-CD1 3.67Å; P207-Y250 HydrophobicContact CG-CD2 4.36Å; P207-Y250 HydrophobicContact CG-CE1 4.03Å; P207-Y250 HydrophobicContact CG-CG 3.85Å; E209-Y250 WeakPolarHBondContact OE1-CE1 3.19Å; E209-Y250 PolarHBondContact OE1-OH 3.24Å; P239-Y250 HydrophobicContact CB-CE2 4.46Å; P239-Y250 WeakPolarHBondContact CB-OH 3.24Å; P239-Y250 HydrophobicContact CG-CE1 3.99Å; P239-Y250 HydrophobicContact CG-CE2 4Å; P239-Y250 VanDerWaalsContact CG-CZ 3.41Å; P239-Y250 WeakPolarHBondContact CG-OH 3.44Å; L240-Y250 HydrophobicContact CB-CD2 4.34Å; L240-Y250 HydrophobicContact CD1-CD2 4.01Å; L240-Y250 HydrophobicContact CD1-CG 4.24Å; D246-Y250 PolarHBondContact O-N 3.07Å; Y250-S252 PolarHBondContact O-N 3.24Å; Y250-Y253 WeakPolarHBondContact O-CB 3.48Å; Y250-Y253 PolarHBondContact O-N 3.27Å
251P98.1Very high98.1Very high78 Ų7861.7 Ų61.751%0.50635%0.346SS..G310 helixtrans-61.7-29.8-17523.8-34.4000113.4L247 R249 Y253 S254L247-P251 WeakPolarHBondContact O-CA 3.34Å; L247-P251 WeakPolarHBondContact O-CB 3.4Å; R249-P251 VanDerWaalsContact C-CD 3.42Å; R249-P251 WeakPolarHBondContact O-CD 3.41Å; P251-Y253 PolarHBondContact O-N 3.08Å; P251-S254 PolarHBondContact O-N 3.25Å; P251-S254 PolarHBondContact O-OG 3.37Å
252S97.9Very high98.2Very high36 Ų3660.4 Ų60.425%0.25234%0.34SS..G310 helixtrans-64.2-26.3179.855.40000113.3Y250 S254 Q255Y250-S252 PolarHBondContact O-N 3.24Å; S252-S254 PolarHBondContact O-N 2.93Å; S252-S254 VanDerWaalsContact O-N 3.14Å; S252-Q255 WeakPolarHBondContact O-CB 3.37Å; S252-Q255 PolarHBondContact O-N 2.93Å
253Y98.6Very high98.2Very high15 Ų1560 Ų606%0.05934%0.337CS..G310 helixtrans-58.9-28178-179.6-106.4000112.7H198 F205 L240 P242 P245 L247 Y250 P251 Q255 A256H198-Y253 AromaticContact CE1-CE2 3.83Å; H198-Y253 AromaticContact CE1-CZ 3.96Å; H198-Y253 AromaticContact NE2-CE2 3.61Å; H198-Y253 AromaticContact NE2-CZ 3.57Å; H198-Y253 PolarHBondContact NE2-OH 2.91Å; F205-Y253 WeakPolarHBondContact O-CA 3.2Å; L240-Y253 HydrophobicContact CD1-CD1 3.63Å; L240-Y253 HydrophobicContact CD1-CD2 3.99Å; L240-Y253 HydrophobicContact CD1-CE1 4.26Å; L240-Y253 HydrophobicContact CD1-CG 3.47Å; L240-Y253 VanDerWaalsContact CD1-CG 3.47Å; L240-Y253 HydrophobicContact CD2-CD1 3.88Å; L240-Y253 HydrophobicContact CD2-CD2 3.97Å; L240-Y253 HydrophobicContact CD2-CE1 3.64Å; L240-Y253 HydrophobicContact CD2-CE2 3.75Å; L240-Y253 HydrophobicContact CD2-CG 4.04Å; L240-Y253 HydrophobicContact CG-CD1 4.4Å; L240-Y253 HydrophobicContact CG-CG 4.43Å; P242-Y253 VanDerWaalsContact CB-OH 3.26Å; P242-Y253 WeakPolarHBondContact CB-OH 3.4Å; P245-Y253 HydrophobicContact CB-CD1 3.53Å; P245-Y253 HydrophobicContact CB-CE1 3.68Å; P245-Y253 HydrophobicContact CG-CD1 4.05Å; P245-Y253 HydrophobicContact CG-CE1 3.95Å; L247-Y253 HydrophobicContact CD2-CD1 4.2Å; Y250-Y253 WeakPolarHBondContact O-CB 3.48Å; Y250-Y253 PolarHBondContact O-N 3.27Å; P251-Y253 PolarHBondContact O-N 3.08Å; Y253-Q255 PolarHBondContact O-N 3.09Å; Y253-A256 HydrophobicContact CD2-CB 4.21Å; Y253-A256 HydrophobicContact CE2-CB 4.28Å; Y253-A256 VanDerWaalsContact O-CB 3.29Å; Y253-A256 WeakPolarHBondContact O-CB 3.27Å; Y253-A256 PolarHBondContact O-N 2.92Å
254S98.1Very high98.2Very high80 Ų8062.8 Ų62.856%0.55934%0.343SS*.G310 helixtrans-61.1-15.117565.20000114.5P251 S252P251-S254 PolarHBondContact O-N 3.25Å; P251-S254 PolarHBondContact O-OG 3.37Å; S252-S254 PolarHBondContact O-N 2.93Å; S252-S254 VanDerWaalsContact O-N 3.14Å
255Q98.4Very high98.3Very high92 Ų9261.9 Ų61.943%0.4334%0.336SS..G310 helixtrans-90.9-16176.3-59.8-177.162.800113.2R21 F205 S252 Y253R21-Q255 PolarHBondContact NH1-O 2.83Å; R21-Q255 PolarHBondContact NH2-O 3Å; F205-Q255 HydrophobicContact CD1-CB 4.1Å; F205-Q255 HydrophobicContact CD2-CB 3.73Å; F205-Q255 HydrophobicContact CE1-CB 3.84Å; F205-Q255 HydrophobicContact CE1-CG 4.37Å; F205-Q255 HydrophobicContact CE2-CB 3.45Å; F205-Q255 VanDerWaalsContact CE2-CB 3.45Å; F205-Q255 HydrophobicContact CG-CB 4.04Å; F205-Q255 HydrophobicContact CZ-CB 3.5Å; F205-Q255 VanDerWaalsContact CZ-CB 3.5Å; F205-Q255 HydrophobicContact CZ-CG 4.25Å; S252-Q255 WeakPolarHBondContact O-CB 3.37Å; S252-Q255 PolarHBondContact O-N 2.93Å; Y253-Q255 PolarHBondContact O-N 3.09Å
256A98.2Very high98.3Very high15 Ų1560.2 Ų60.212%0.12433%0.327CS..SBendtrans-69.4155.7168.600000110D202 F205 Y253D202-A256 HydrophobicContact CB-CB 4.33Å; D202-A256 WeakPolarHBondContact OD2-CB 3.41Å; F205-A256 HydrophobicContact CB-CB 3.93Å; F205-A256 HydrophobicContact CD2-CB 4.5Å; Y253-A256 HydrophobicContact CD2-CB 4.21Å; Y253-A256 HydrophobicContact CE2-CB 4.28Å; Y253-A256 VanDerWaalsContact O-CB 3.29Å; Y253-A256 WeakPolarHBondContact O-CB 3.27Å; Y253-A256 PolarHBondContact O-N 2.92Å
257Q98.2Very high98.4Very high83 Ų8357.1 Ų57.139%0.38831%0.31SS..  trans-128.6104.5-179.4-171.2175.3-2.300110.5D202D202-Q257 PolarHBondContact OD2-N 3.02Å
258A98.3Very high98.4Very high38 Ų3853.4 Ų53.431%0.31429%0.29SS..  trans-71134.5178.600000111.6L196 L197 H198L196-A258 HydrophobicContact CD1-CB 4.32Å; L196-A258 HydrophobicContact CD2-CB 3.85Å; L196-A258 HydrophobicContact CG-CB 3.93Å; L197-A258 CarbonylContact O-C 3.56Å; L197-A258 WeakPolarHBondContact O-CA 3.38Å; H198-A258 PolarHBondContact CE1-N 3.25Å
259L98.3Very high98.5Very high10 Ų1048.9 Ų48.95%0.05225%0.253CS..EExtended strand (participates in β ladder)trans-93.3141.3163-75.172.8000108.4V25 P26 V29 L196 L197 W275V25-L259 HydrophobicContact CG1-CD1 3.93Å; V25-L259 HydrophobicContact CG1-CD2 4.04Å; P26-L259 WeakPolarHBondContact O-CD2 3.1Å; V29-L259 HydrophobicContact CG2-CB 4.48Å; V29-L259 HydrophobicContact CG2-CD2 4.28Å; L196-L259 CarbonylContact C-O 3.35Å; L196-L259 WeakPolarHBondContact CA-O 3.26Å; L197-L259 HydrophobicContact CB-CB 4.22Å; L197-L259 PolarHBondContact N-O 3.45Å; L197-L259 PolarHBondContact O-N 3.09Å; L259-W275 HydrophobicContact CD2-CH2 4.34Å; L259-W275 HydrophobicContact CD2-CZ3 4.3Å
260R98.6Very high98.6Very high171 Ų17142.4 Ų42.465%0.64523%0.228SC*.EExtended strand (participates in β ladder)trans-122.8136.3176.4-64.1-178.3179.9-165.4-2.6110.1F195F195-R260 WeakPolarHBondContact O-CA 3.48Å
261C98.8Very high98.6Very high14 Ų1441.5 Ų41.510%0.09523%0.225CC..EExtended strand (participates in β ladder)trans-143.6160.4171.468.90000111.3V29 I53 F195V29-C261 HydrophobicContact CB-CB 3.86Å; V29-C261 HydrophobicContact CG1-CB 4.41Å; V29-C261 HydrophobicContact CG2-CB 3.75Å; I53-C261 HydrophobicContact CD1-CB 3.95Å; F195-C261 PolarHBondContact N-O 3.39Å; F195-C261 PolarHBondContact O-N 3.14Å
262T98.9Very high98.6Very high30 Ų3038 Ų3818%0.18420%0.202CC..EExtended strand (participates in β ladder)trans-125.1125.9173.4-62.30000107.9Y31 E192 K193 H194 R264Y31-T262 PolarHBondContact OH-O 2.94Å; E192-T262 HydrophobicContact CB-CG2 3.97Å; E192-T262 HydrophobicContact CG-CG2 4.33Å; K193-T262 CarbonylContact O-C 3.56Å; K193-T262 VanDerWaalsContact O-CA 3.29Å; K193-T262 WeakPolarHBondContact O-CA 3.14Å; H194-T262 WeakPolarHBondContact ND1-CG2 3.31Å; H194-T262 PolarHBondContact ND1-OG1 3.06Å; T262-R264 HydrophobicContact CG2-CG 4.18Å
263V98.9Very high98.7Very high0 Ų036.5 Ų36.50%019%0.192CC..EExtended strand (participates in β ladder)trans-103.2119.1178.7-169.30000107I53 V188 E192 K193 F195 E267 L269I53-V263 HydrophobicContact CD1-CG2 4.25Å; I53-V263 HydrophobicContact CG1-CG2 4.46Å; V188-V263 HydrophobicContact CB-CG1 4.24Å; V188-V263 HydrophobicContact CG2-CB 3.91Å; V188-V263 HydrophobicContact CG2-CG1 3.67Å; E192-V263 VanDerWaalsContact CA-O 3.3Å; E192-V263 WeakPolarHBondContact CA-O 3.44Å; K193-V263 PolarHBondContact N-O 3.28Å; K193-V263 PolarHBondContact O-N 3.15Å; F195-V263 HydrophobicContact CD2-CG2 3.81Å; F195-V263 HydrophobicContact CE2-CB 4.42Å; F195-V263 HydrophobicContact CE2-CG2 3.73Å; V263-E267 HydrophobicContact CG1-CB 3.84Å; V263-L269 HydrophobicContact CG1-CB 4.38Å; V263-L269 HydrophobicContact CG2-CB 3.62Å; V263-L269 HydrophobicContact CG2-CD2 4.03Å; V263-L269 HydrophobicContact CG2-CG 4.33Å
264R98.9Very high98.7Very high123 Ų12336.2 Ų36.246%0.46419%0.191SC..EExtended strand (participates in β ladder)trans-102.6167.7-177-62.2-171.4173.486.9-0111.7E192 T262 G266 E267E192-R264 HydrophobicContact CB-CG 4.16Å; E192-R264 IonicContact OE2-CZ 3.87Å; E192-R264 IonicContact OE2-NE 3.82Å; E192-R264 PolarHBondContact OE2-NE 3.48Å; E192-R264 IonicContact OE2-NH2 2.73Å; T262-R264 HydrophobicContact CG2-CG 4.18Å; R264-G266 PolarHBondContact O-N 3.31Å; R264-E267 PolarHBondContact N-OE2 3.33Å; R264-E267 VanDerWaalsContact O-CB 3.29Å; R264-E267 WeakPolarHBondContact O-CB 3.47Å; R264-E267 PolarHBondContact O-N 3.06Å
265A98.9Very high98.7Very high53 Ų5332.5 Ų32.544%0.43817%0.165SC..THydrogen-bonded Turntrans-46124.9172.900000112.3V188 G191V188-A265 CarbonylContact O-C 3.47Å; V188-A265 WeakPolarHBondContact O-CA 3.25Å; G191-A265 PolarHBondContact O-N 3.05Å; G191-A265 VanDerWaalsContact O-N 3.12Å
266G98.7Very high98.7Very high10 Ų1028.1 Ų28.110%0.10315%0.145CC..THydrogen-bonded Turntrans88.8-4.8-177.900000115.1V188 R264V188-G266 PolarHBondContact O-N 3.43Å; R264-G266 PolarHBondContact O-N 3.31Å
267E98.9Very high98.8Very high19 Ų1927.8 Ų27.89%0.08914%0.141CC..  trans-98.1148.8175.4-57.9-174136.800111.6Y31 I53 R55 V188 V263 R264Y31-E267 WeakPolarHBondContact CE1-OE1 3.42Å; I53-E267 HydrophobicContact CG2-CB 3.84Å; I53-E267 HydrophobicContact CG2-CG 4.28Å; R55-E267 HydrophobicContact CG-CG 4.39Å; R55-E267 IonicContact NE-OE1 3.8Å; R55-E267 PolarHBondContact NE-OE1 2.57Å; V188-E267 PolarHBondContact N-O 2.99Å; V188-E267 VanDerWaalsContact N-O 3.11Å; V263-E267 HydrophobicContact CG1-CB 3.84Å; R264-E267 PolarHBondContact N-OE2 3.33Å; R264-E267 VanDerWaalsContact O-CB 3.29Å; R264-E267 WeakPolarHBondContact O-CB 3.47Å; R264-E267 PolarHBondContact O-N 3.06Å
268M98.9Very high98.8Very high1 Ų124 Ų241%0.00512%0.123CC..EExtended strand (participates in β ladder)trans-117.9126.1173.7175-170.4-71.600109.2I53 I54 A57 L58 V150 W152 L185 Y186 C187I53-M268 CarbonylContact C-O 3.43Å; I53-M268 WeakPolarHBondContact CA-O 3.39Å; I54-M268 HydrophobicContact CB-CB 4.42Å; I54-M268 HydrophobicContact CD1-CG 4.34Å; I54-M268 HydrophobicContact CD1-SD 3.94Å; I54-M268 PolarHBondContact N-O 3.43Å; I54-M268 PolarHBondContact O-N 2.84Å; A57-M268 HydrophobicContact CB-CB 4.34Å; A57-M268 HydrophobicContact CB-CE 4.19Å; A57-M268 HydrophobicContact CB-SD 4.47Å; L58-M268 HydrophobicContact CD2-CE 3.89Å; V150-M268 HydrophobicContact CG1-CE 4.09Å; V150-M268 HydrophobicContact CG2-CE 3.63Å; W152-M268 HydrophobicContact CH2-SD 3.99Å; W152-M268 HydrophobicContact CZ2-CE 4.35Å; W152-M268 HydrophobicContact CZ2-SD 3.7Å; L185-M268 HydrophobicContact CB-CG 4.38Å; L185-M268 HydrophobicContact CB-SD 4.14Å; L185-M268 HydrophobicContact CD1-SD 4.31Å; L185-M268 HydrophobicContact CD2-SD 3.97Å; L185-M268 HydrophobicContact CG-SD 4.38Å; Y186-M268 CarbonylContact O-C 3.45Å; Y186-M268 WeakPolarHBondContact O-CA 3.33Å; C187-M268 WeakPolarHBondContact SG-CE 3.28Å
269L98.9Very high98.8Very high0 Ų022.5 Ų22.50%011%0.11CC..EExtended strand (participates in β ladder)trans-91.7124.9168.1171.567.9000109.3V29 P51 I53 L185 Y186 F195 V263 L271V29-L269 HydrophobicContact CG1-CD1 4.3Å; P51-L269 HydrophobicContact CB-CD1 4.48Å; I53-L269 HydrophobicContact CG1-CD1 3.96Å; L185-L269 CarbonylContact C-O 3.59Å; L185-L269 WeakPolarHBondContact CA-O 3.35Å; Y186-L269 PolarHBondContact N-O 2.85Å; Y186-L269 PolarHBondContact O-N 3.04Å; F195-L269 HydrophobicContact CD1-CD2 3.93Å; F195-L269 HydrophobicContact CD2-CD2 3.71Å; F195-L269 HydrophobicContact CE1-CD2 3.97Å; F195-L269 HydrophobicContact CE2-CD2 3.74Å; F195-L269 HydrophobicContact CG-CD2 3.81Å; F195-L269 HydrophobicContact CZ-CD2 3.89Å; V263-L269 HydrophobicContact CG1-CB 4.38Å; V263-L269 HydrophobicContact CG2-CB 3.62Å; V263-L269 HydrophobicContact CG2-CD2 4.03Å; V263-L269 HydrophobicContact CG2-CG 4.33Å; L269-L271 HydrophobicContact CD2-CB 4.26Å; L269-L271 HydrophobicContact CG-CB 4.27Å
270Y98.9Very high98.9Very high1 Ų125.3 Ų25.30%0.00412%0.123CC..EExtended strand (participates in β ladder)trans-82.1112.5156.5171.8-126000108.7F41 W45 V46 R50 P51 C52 E183 L185 P272F41-Y270 AromaticContact CE2-CD1 3.82Å; F41-Y270 HydrophobicContact CE2-CD1 3.82Å; F41-Y270 HydrophobicContact CE2-CD2 4.15Å; F41-Y270 HydrophobicContact CE2-CE1 4.29Å; F41-Y270 AromaticContact CE2-CG 3.74Å; F41-Y270 HydrophobicContact CE2-CG 3.74Å; F41-Y270 HydrophobicContact CZ-CD1 4.1Å; F41-Y270 AromaticContact CZ-CD2 3.67Å; F41-Y270 HydrophobicContact CZ-CD2 3.67Å; F41-Y270 HydrophobicContact CZ-CE1 4.32Å; F41-Y270 AromaticContact CZ-CE2 3.93Å; F41-Y270 HydrophobicContact CZ-CE2 3.93Å; F41-Y270 AromaticContact CZ-CG 3.76Å; F41-Y270 HydrophobicContact CZ-CG 3.76Å; W45-Y270 HydrophobicContact CB-CD1 3.8Å; W45-Y270 HydrophobicContact CB-CE1 3.7Å; V46-Y270 WeakPolarHBondContact CA-OH 3.5Å; V46-Y270 HydrophobicContact CG2-CE1 4.39Å; R50-Y270 VanDerWaalsContact O-CD1 3.32Å; R50-Y270 WeakPolarHBondContact O-CD1 3.29Å; R50-Y270 VanDerWaalsContact O-CE1 3.29Å; R50-Y270 WeakPolarHBondContact O-CE1 3.41Å; P51-Y270 VanDerWaalsContact CA-O 3.23Å; P51-Y270 WeakPolarHBondContact CA-O 3.32Å; P51-Y270 WeakPolarHBondContact CB-O 3.26Å; C52-Y270 PolarHBondContact N-O 3.36Å; C52-Y270 PolarHBondContact O-N 3.21Å; E183-Y270 HydrophobicContact CB-CE2 4.25Å; E183-Y270 VanDerWaalsContact OE2-CE2 3.31Å; E183-Y270 WeakPolarHBondContact OE2-CE2 3.22Å; E183-Y270 PolarHBondContact OE2-OH 2.92Å; L185-Y270 HydrophobicContact CD2-CD2 3.87Å; L185-Y270 HydrophobicContact CD2-CG 4.31Å; Y270-P272 HydrophobicContact CD1-CG 4.26Å; Y270-P272 HydrophobicContact CE1-CB 4.09Å; Y270-P272 HydrophobicContact CE1-CG 3.71Å; Y270-P272 HydrophobicContact CE2-CB 4.42Å; Y270-P272 WeakPolarHBondContact OH-CB 3.44Å
271L98.9Very high98.9Very high3 Ų317.6 Ų17.62%0.0169%0.094CC..EExtended strand (participates in β ladder)trans-105.3106.9173.7171.960.9000107.6N184 L197 L269 W275 H277N184-L271 HydrophobicContact CB-CB 4.12Å; N184-L271 HydrophobicContact CB-CG 4.48Å; N184-L271 PolarHBondContact N-O 3.39Å; N184-L271 PolarHBondContact O-N 2.98Å; L197-L271 HydrophobicContact CD2-CD1 3.78Å; L269-L271 HydrophobicContact CD2-CB 4.26Å; L269-L271 HydrophobicContact CG-CB 4.27Å; L271-W275 HydrophobicContact CD1-CB 3.77Å; L271-H277 HydrophobicContact CD1-CB 4.31Å; L271-H277 HydrophobicContact CD2-CB 4.17Å
272P98.9Very high98.9Very high3 Ų318.4 Ų18.42%0.01910%0.1CC..  trans-68.8155.1-173.3-14.226.3000112.4P51 E183 Y270 W275P51-P272 HydrophobicContact CB-CG 4.37Å; E183-P272 WeakPolarHBondContact OE2-CA 3.39Å; Y270-P272 HydrophobicContact CD1-CG 4.26Å; Y270-P272 HydrophobicContact CE1-CB 4.09Å; Y270-P272 HydrophobicContact CE1-CG 3.71Å; Y270-P272 HydrophobicContact CE2-CB 4.42Å; Y270-P272 WeakPolarHBondContact OH-CB 3.44Å; P272-W275 HydrophobicContact CB-CG 4.33Å; P272-W275 HydrophobicContact CG-CG 4.29Å; P272-W275 WeakPolarHBondContact O-CB 3.39Å; P272-W275 PolarHBondContact O-N 2.83Å
273A98.8Very high98.9Very high5 Ų521.3 Ų21.34%0.04111%0.111CC..THydrogen-bonded Turntrans-52.8144.3175.400000112.5Y182 E183 W275 M294Y182-A273 VanDerWaalsContact O-CA 3.28Å; Y182-A273 WeakPolarHBondContact O-CA 3.4Å; E183-A273 HydrophobicContact CG-CB 4.45Å; E183-A273 PolarHBondContact OE2-N 2.7Å; A273-W275 PolarHBondContact O-N 3.15Å; A273-W275 VanDerWaalsContact O-N 3.15Å; A273-M294 HydrophobicContact CB-CB 3.59Å; A273-M294 HydrophobicContact CB-CE 4.09Å; A273-M294 HydrophobicContact CB-CG 4.38Å; A273-M294 HydrophobicContact CB-SD 4Å
274L98.8Very high98.8Very high9 Ų921.8 Ų21.85%0.04712%0.116CC..THydrogen-bonded Turntrans66.3-1.4-179.8-50.7178.5000116.2K179 D180 P200 F276 M294 Y300 F303K179-L274 WeakPolarHBondContact CB-O 3.13Å; K179-L274 HydrophobicContact CD-CD2 4.45Å; D180-L274 PolarHBondContact O-N 2.85Å; P200-L274 HydrophobicContact CB-CB 4.28Å; P200-L274 HydrophobicContact CG-CB 3.92Å; L274-F276 PolarHBondContact O-N 3.32Å; L274-M294 HydrophobicContact CD1-CE 3.9Å; L274-M294 HydrophobicContact CD1-SD 4.26Å; L274-M294 HydrophobicContact CD2-SD 3.92Å; L274-M294 HydrophobicContact CG-CE 4.04Å; L274-M294 HydrophobicContact CG-SD 3.93Å; L274-Y300 HydrophobicContact CD1-CD2 4.35Å; L274-F303 HydrophobicContact CD1-CB 3.94Å; L274-F303 HydrophobicContact CD1-CD1 4.01Å; L274-F303 HydrophobicContact CD1-CD2 4.45Å; L274-F303 HydrophobicContact CD1-CG 3.85Å
275W98.9Very high98.8Very high2 Ų215.9 Ų15.91%0.0089%0.094CC..  trans-66.1129.6174.3-84.164000110.8V25 S49 P51 L197 P199 L259 L271 P272 A273 H277V25-W275 HydrophobicContact CG1-CH2 3.83Å; V25-W275 HydrophobicContact CG2-CH2 4.45Å; V25-W275 HydrophobicContact CG2-CZ2 4.46Å; S49-W275 WeakPolarHBondContact O-CZ2 3.44Å; S49-W275 PolarHBondContact O-NE1 3.2Å; S49-W275 PolarHBondContact OG-NE1 2.81Å; S49-W275 VanDerWaalsContact OG-NE1 3.12Å; P51-W275 VanDerWaalsContact CD-CH2 3.41Å; P51-W275 HydrophobicContact CG-CE3 4.34Å; P51-W275 HydrophobicContact CG-CH2 3.77Å; P51-W275 HydrophobicContact CG-CZ2 4.17Å; P51-W275 HydrophobicContact CG-CZ3 3.88Å; L197-W275 HydrophobicContact CB-CE3 4Å; L197-W275 HydrophobicContact CB-CZ3 4.14Å; P199-W275 HydrophobicContact CB-CE3 4.48Å; P199-W275 HydrophobicContact CB-CH2 3.8Å; P199-W275 HydrophobicContact CB-CZ2 3.83Å; P199-W275 HydrophobicContact CB-CZ3 4.13Å; L259-W275 HydrophobicContact CD2-CH2 4.34Å; L259-W275 HydrophobicContact CD2-CZ3 4.3Å; L271-W275 HydrophobicContact CD1-CB 3.77Å; P272-W275 HydrophobicContact CB-CG 4.33Å; P272-W275 HydrophobicContact CG-CG 4.29Å; P272-W275 WeakPolarHBondContact O-CB 3.39Å; P272-W275 PolarHBondContact O-N 2.83Å; A273-W275 PolarHBondContact O-N 3.15Å; A273-W275 VanDerWaalsContact O-N 3.15Å; W275-H277 PolarHBondContact O-ND1 3.48Å
276F98.9Very high98.8Very high0 Ų013.4 Ų13.40%07%0.073CC..EExtended strand (participates in β ladder)trans-73133173.5-57.5-84.3000108.7L177 H178 K179 L197 H198 R203 I206 Y208 I238 L274 F303L177-F276 HydrophobicContact CD1-CB 3.95Å; L177-F276 HydrophobicContact CG-CB 4.32Å; H178-F276 CarbonylContact O-C 3.57Å; H178-F276 WeakPolarHBondContact O-CA 3.47Å; K179-F276 HydrophobicContact CB-CD1 3.92Å; K179-F276 HydrophobicContact CB-CE1 4.19Å; K179-F276 HydrophobicContact CB-CG 4.44Å; K179-F276 HydrophobicContact CD-CD1 4.31Å; K179-F276 HydrophobicContact CD-CE1 3.7Å; K179-F276 HydrophobicContact CD-CZ 3.97Å; K179-F276 HydrophobicContact CG-CD1 4.11Å; K179-F276 HydrophobicContact CG-CE1 3.9Å; L197-F276 CarbonylContact C-O 3.47Å; L197-F276 VanDerWaalsContact CA-O 3.26Å; L197-F276 WeakPolarHBondContact CA-O 3.22Å; H198-F276 HydrophobicContact CB-CB 4.05Å; H198-F276 HydrophobicContact CB-CD2 4.26Å; H198-F276 PolarHBondContact N-O 2.89Å; H198-F276 PolarHBondContact O-N 2.98Å; R203-F276 HydrophobicContact CB-CE2 4.29Å; R203-F276 HydrophobicContact CB-CZ 4.3Å; I206-F276 HydrophobicContact CD1-CB 4.22Å; I206-F276 HydrophobicContact CD1-CD1 4.23Å; I206-F276 HydrophobicContact CD1-CD2 3.31Å; I206-F276 HydrophobicContact CD1-CE1 4.46Å; I206-F276 HydrophobicContact CD1-CE2 3.59Å; I206-F276 HydrophobicContact CD1-CG 3.66Å; I206-F276 HydrophobicContact CD1-CZ 4.17Å; I206-F276 HydrophobicContact CG2-CD1 4.45Å; I206-F276 HydrophobicContact CG2-CE1 4.35Å; Y208-F276 AromaticContact CE2-CE1 3.88Å; Y208-F276 HydrophobicContact CE2-CE1 3.88Å; Y208-F276 HydrophobicContact CE2-CZ 4.48Å; I238-F276 HydrophobicContact CD1-CD1 3.73Å; I238-F276 HydrophobicContact CD1-CE1 4.01Å; L274-F276 PolarHBondContact O-N 3.32Å; F276-F303 HydrophobicContact CZ-CE2 4.3Å; F276-F303 HydrophobicContact CZ-CZ 4.26Å
277H98.9Very high98.8Very high9 Ų913 Ų134%0.0427%0.068CC..EExtended strand (participates in β ladder)trans-145.6142.1-177.761.7-77.2000112.1L177 H178 D180 L196 L197 L271 W275L177-H277 WeakPolarHBondContact CA-O 3.46Å; H178-H277 AromaticContact CD2-CE1 3.91Å; H178-H277 AromaticContact CE1-CD2 3.64Å; H178-H277 AromaticContact CE1-CE1 3.62Å; H178-H277 AromaticContact CE1-NE2 3.16Å; H178-H277 PolarHBondContact CE1-NE2 2.69Å; H178-H277 PolarHBondContact N-O 3.17Å; H178-H277 VanDerWaalsContact N-O 3.15Å; H178-H277 PolarHBondContact ND1-O 3.09Å; H178-H277 AromaticContact NE2-CE1 3.41Å; H178-H277 PolarHBondContact NE2-CE1 3.15Å; H178-H277 AromaticContact NE2-NE2 3.19Å; H178-H277 PolarHBondContact NE2-NE2 2.78Å; H178-H277 VanDerWaalsContact NE2-NE2 3.19Å; H178-H277 PolarHBondContact O-N 3Å; H178-H277 PolarHBondContact O-ND1 3.37Å; D180-H277 IonicContact OD2-CE1 2.83Å; D180-H277 PolarHBondContact OD2-CE1 3.11Å; D180-H277 IonicContact OD2-NE2 2.84Å; L196-H277 CarbonylContact O-C 3.57Å; L196-H277 VanDerWaalsContact O-CA 3.27Å; L196-H277 WeakPolarHBondContact O-CA 3.35Å; L197-H277 HydrophobicContact CD2-CB 3.46Å; L197-H277 VanDerWaalsContact CD2-CB 3.46Å; L271-H277 HydrophobicContact CD1-CB 4.31Å; L271-H277 HydrophobicContact CD2-CB 4.17Å; W275-H277 PolarHBondContact O-ND1 3.48Å
278H98.9Very high98.8Very high3 Ų312 Ų121%0.0146%0.064CC..EExtended strand (participates in β ladder)trans-123.7135.9173.5163.1-73000107.7V174 T175 L177 F195 L196 P242V174-H278 WeakPolarHBondContact CG1-NE2 3.45Å; T175-H278 PolarHBondContact O-CD2 2.71Å; L177-H278 HydrophobicContact CB-CB 4.36Å; L177-H278 HydrophobicContact CD1-CB 3.99Å; F195-H278 WeakPolarHBondContact CA-O 3.38Å; L196-H278 HydrophobicContact CB-CB 4.3Å; L196-H278 PolarHBondContact N-O 3.33Å; L196-H278 PolarHBondContact O-N 2.92Å; P242-H278 HydrophobicContact CG-CB 3.76Å
279V98.8Very high98.8Very high7 Ų712 Ų124%0.0426%0.064CC..EExtended strand (participates in β ladder)trans-127.6126.1-167.6-165.90000111.6T175 K193 H194 F195T175-V279 PolarHBondContact N-O 3.33Å; T175-V279 PolarHBondContact O-N 3.4Å; T175-V279 VanDerWaalsContact O-N 3.08Å; K193-V279 HydrophobicContact CD-CG1 3.64Å; H194-V279 WeakPolarHBondContact O-CA 3.31Å; F195-V279 HydrophobicContact CD1-CG1 4.36Å; F195-V279 HydrophobicContact CD1-CG2 3.7Å; F195-V279 HydrophobicContact CE1-CB 4.42Å; F195-V279 HydrophobicContact CE1-CG1 4Å; F195-V279 HydrophobicContact CE1-CG2 3.53Å; F195-V279 HydrophobicContact CE2-CG1 4.48Å; F195-V279 HydrophobicContact CZ-CG1 4.06Å; F195-V279 HydrophobicContact CZ-CG2 4.38Å
280Q98.8Very high98.8Very high68 Ų6812 Ų1232%0.3186%0.064SC..EExtended strand (participates in β ladder)trans-113.7165.4165.1-52.9-177.9-82.800109.9V174 K193 H194 L243V174-Q280 HydrophobicContact CG1-CG 4.48Å; V174-Q280 HydrophobicContact CG2-CG 4.31Å; K193-Q280 WeakPolarHBondContact CA-O 3.48Å; H194-Q280 HydrophobicContact CB-CB 4.28Å; H194-Q280 PolarHBondContact N-O 3.39Å; H194-Q280 PolarHBondContact O-N 3.41Å; L243-Q280 HydrophobicContact CD1-CG 4.49Å
281Q98.8Very high98.8Very high9 Ų912.8 Ų12.84%0.0427%0.067CC..EExtended strand (participates in β ladder)trans-146.5155.5-176.965.4-158.1-40.500112.5E170 A171 A173 E192 K193 C285E170-Q281 WeakPolarHBondContact O-CG 3.25Å; E170-Q281 PolarHBondContact O-NE2 3.2Å; A171-Q281 WeakPolarHBondContact CA-O 3.2Å; A173-Q281 PolarHBondContact O-NE2 3.5Å; E192-Q281 WeakPolarHBondContact O-CA 3.36Å; K193-Q281 HydrophobicContact CD-CB 3.87Å; K193-Q281 VanDerWaalsContact NZ-CD 3.34Å; Q281-C285 HydrophobicContact CB-CB 3.9Å; Q281-C285 HydrophobicContact CG-CB 4.45Å
282S98.8Very high98.8Very high32 Ų3212.7 Ų12.722%0.2247%0.066CC..  trans-68.8155.9165.564.20000111.3G191 E192 G284 C285G191-S282 WeakPolarHBondContact CA-OG 3.2Å; E192-S282 PolarHBondContact N-OG 2.75Å; E192-S282 PolarHBondContact O-N 3.05Å; S282-G284 PolarHBondContact O-N 2.96Å; S282-C285 VanDerWaalsContact O-CB 3.24Å; S282-C285 WeakPolarHBondContact O-CB 3.5Å; S282-C285 PolarHBondContact O-N 3.02Å
283Q98.6Very high98.8Very high91 Ų9114.6 Ų14.643%0.4258%0.076SC..THydrogen-bonded Turntrans-55.4125.6176.6-178.667.29.300111L116 A171 C285L116-Q283 PolarHBondContact O-NE2 3.26Å; A171-Q283 HydrophobicContact CB-CB 4.11Å; Q283-C285 PolarHBondContact O-N 2.82Å
284G98.4Very high98.8Very high9 Ų914.8 Ų14.89%0.0938%0.076CC..THydrogen-bonded Turntrans66.325179.100000113.7G169 S282 I286G169-G284 WeakPolarHBondContact O-CA 3.17Å; G169-G284 PolarHBondContact O-N 2.95Å; S282-G284 PolarHBondContact O-N 2.96Å; G284-I286 PolarHBondContact O-N 3.49Å
285C98.8Very high98.8Very high0 Ų018.9 Ų18.90%010%0.095CC..EExtended strand (participates in β ladder)trans-55.7134.7173.7-178.40000110.3L168 S190 Q281 S282 Q283L168-C285 WeakPolarHBondContact CA-O 3.33Å; S190-C285 WeakPolarHBondContact O-CA 3.44Å; S190-C285 PolarHBondContact O-SG 2.6Å; S190-C285 VanDerWaalsContact O-SG 3.39Å; Q281-C285 HydrophobicContact CB-CB 3.9Å; Q281-C285 HydrophobicContact CG-CB 4.45Å; S282-C285 VanDerWaalsContact O-CB 3.24Å; S282-C285 WeakPolarHBondContact O-CB 3.5Å; S282-C285 PolarHBondContact O-N 3.02Å; Q283-C285 PolarHBondContact O-N 2.82Å
286I98.9Very high98.7Very high1 Ų124.4 Ų24.41%0.00512%0.117CC..EExtended strand (participates in β ladder)trans-113.4120.9177.8-53.4167.5000108.2W67 L69 F72 F166 W167 L168 V189 S190 G284W67-I286 HydrophobicContact CE3-CG2 3.59Å; W67-I286 HydrophobicContact CZ3-CG2 3.97Å; L69-I286 HydrophobicContact CD2-CD1 4.4Å; F72-I286 HydrophobicContact CD2-CD1 4.17Å; F72-I286 HydrophobicContact CE2-CB 4.47Å; F72-I286 HydrophobicContact CE2-CD1 3.41Å; F72-I286 VanDerWaalsContact CE2-CD1 3.41Å; F72-I286 HydrophobicContact CE2-CG1 3.83Å; F72-I286 HydrophobicContact CE2-CG2 3.79Å; F72-I286 HydrophobicContact CZ-CD1 4.03Å; F72-I286 HydrophobicContact CZ-CG2 3.77Å; F166-I286 HydrophobicContact CE2-CG2 3.93Å; F166-I286 HydrophobicContact CZ-CG2 4.34Å; W167-I286 WeakPolarHBondContact O-CA 3.47Å; L168-I286 HydrophobicContact CD1-CG1 3.99Å; V189-I286 HydrophobicContact CB-CG2 4.29Å; V189-I286 PolarHBondContact N-O 3.2Å; S190-I286 PolarHBondContact N-O 3.34Å; S190-I286 VanDerWaalsContact N-O 3.12Å; S190-I286 PolarHBondContact O-N 3.02Å; G284-I286 PolarHBondContact O-N 3.49Å
287A98.9Very high98.7Very high0 Ų027.1 Ų27.10%013%0.131CC..EExtended strand (participates in β ladder)trans-139.2157.3177.700000112.1W167 Y186 C187 V188W167-A287 HydrophobicContact CB-CB 4.19Å; W167-A287 PolarHBondContact N-O 2.98Å; W167-A287 PolarHBondContact O-N 2.98Å; Y186-A287 HydrophobicContact CD1-CB 4.3Å; Y186-A287 HydrophobicContact CE1-CB 3.55Å; C187-A287 CarbonylContact O-C 3.58Å; C187-A287 VanDerWaalsContact O-CA 3.24Å; C187-A287 WeakPolarHBondContact O-CA 3.16Å; C187-A287 WeakPolarHBondContact O-CB 3.44Å; V188-A287 HydrophobicContact CG2-CB 4.45Å
288V98.9Very high98.7Very high0 Ų031.8 Ų31.80%016%0.156CC..EExtended strand (participates in β ladder)trans-130.4139172.6176.50000107.7W67 L135 L146 V164 N165 F166 C187 F290W67-V288 HydrophobicContact CH2-CG2 3.82Å; W67-V288 HydrophobicContact CZ3-CG2 3.6Å; L135-V288 HydrophobicContact CD2-CG1 4.03Å; L135-V288 HydrophobicContact CD2-CG2 4.35Å; L146-V288 HydrophobicContact CD2-CB 4.42Å; L146-V288 HydrophobicContact CD2-CG1 4.27Å; L146-V288 HydrophobicContact CD2-CG2 3.77Å; V164-V288 HydrophobicContact CG1-CG1 3.86Å; N165-V288 CarbonylContact O-C 3.36Å; N165-V288 VanDerWaalsContact O-CA 3.22Å; N165-V288 WeakPolarHBondContact O-CA 3.48Å; F166-V288 HydrophobicContact CD2-CG2 4.43Å; C187-V288 WeakPolarHBondContact CA-O 3.35Å; C187-V288 VanDerWaalsContact CB-O 3.24Å; C187-V288 WeakPolarHBondContact CB-O 3.42Å; C187-V288 PolarHBondContact N-O 3.04Å; C187-V288 PolarHBondContact O-N 2.89Å; C187-V288 VanDerWaalsContact O-O 3.14Å; V288-F290 HydrophobicContact CG1-CE2 4.49Å; V288-F290 HydrophobicContact CG1-CZ 4.33Å
289N98.9Very high98.7Very high0 Ų035.1 Ų35.10%017%0.171CC..EExtended strand (participates in β ladder)trans-129.2151.6173.292.4-79.5000112V164 N165 W167 N184 L185 Y186 W291V164-N289 WeakPolarHBondContact CA-O 3.41Å; N165-N289 VanDerWaalsContact CB-OD1 3.26Å; N165-N289 WeakPolarHBondContact CB-OD1 3.35Å; N165-N289 PolarHBondContact N-O 3.43Å; N165-N289 PolarHBondContact ND2-OD1 3.49Å; N165-N289 PolarHBondContact O-N 3.15Å; W167-N289 PolarHBondContact NE1-OD1 2.81Å; N184-N289 WeakPolarHBondContact OD1-CB 3.45Å; N184-N289 PolarHBondContact OD1-ND2 3.3Å; L185-N289 VanDerWaalsContact O-CA 3.25Å; L185-N289 WeakPolarHBondContact O-CA 3.43Å; Y186-N289 HydrophobicContact CD2-CB 3.69Å; Y186-N289 HydrophobicContact CE2-CB 4.12Å; Y186-N289 HydrophobicContact CG-CB 4.13Å; N289-W291 PolarHBondContact ND2-NE1 3.1Å
290F98.9Very high98.7Very high0 Ų038 Ų380%018%0.181CC..EExtended strand (participates in β ladder)trans-113.3128174-53.2-91.1000109W61 E147 V150 P161 V164 L185 V288 Y292W61-F290 AromaticContact CH2-CE2 3.5Å; W61-F290 HydrophobicContact CH2-CE2 3.5Å; W61-F290 AromaticContact CH2-CZ 3.54Å; W61-F290 HydrophobicContact CH2-CZ 3.54Å; W61-F290 AromaticContact CZ2-CE2 3.73Å; W61-F290 HydrophobicContact CZ2-CE2 3.73Å; W61-F290 AromaticContact CZ2-CZ 3.56Å; W61-F290 HydrophobicContact CZ2-CZ 3.56Å; E147-F290 WeakPolarHBondContact O-CE1 3.29Å; E147-F290 WeakPolarHBondContact O-CZ 3.26Å; V150-F290 HydrophobicContact CG2-CD2 3.6Å; V150-F290 HydrophobicContact CG2-CE2 3.63Å; V150-F290 HydrophobicContact CG2-CG 4.19Å; V150-F290 HydrophobicContact CG2-CZ 4.29Å; P161-F290 HydrophobicContact CB-CB 4.18Å; P161-F290 HydrophobicContact CG-CD1 4.3Å; V164-F290 HydrophobicContact CB-CD1 4.41Å; V164-F290 HydrophobicContact CG1-CD1 3.89Å; V164-F290 HydrophobicContact CG1-CE1 3.69Å; V164-F290 HydrophobicContact CG1-CZ 4.45Å; V164-F290 HydrophobicContact CG2-CD1 3.83Å; V164-F290 HydrophobicContact CG2-CE1 4.13Å; L185-F290 HydrophobicContact CB-CB 4.38Å; L185-F290 HydrophobicContact CB-CD2 4.27Å; L185-F290 PolarHBondContact N-O 2.97Å; L185-F290 PolarHBondContact O-N 3.31Å; V288-F290 HydrophobicContact CG1-CE2 4.49Å; V288-F290 HydrophobicContact CG1-CZ 4.33Å; F290-Y292 HydrophobicContact CB-CD2 4.35Å; F290-Y292 HydrophobicContact CB-CE2 3.69Å
291W98.8Very high98.7Very high18 Ų1838.1 Ų38.17%0.06819%0.189CC..EExtended strand (participates in β ladder)trans-107.3123.5175.6-83.4-10.8000110.6Q131 P161 D162 A163 Y182 N184 N289Q131-W291 HydrophobicContact CB-CH2 3.8Å; Q131-W291 HydrophobicContact CB-CZ3 3.93Å; Q131-W291 HydrophobicContact CG-CH2 4.41Å; P161-W291 CarbonylContact C-O 3.55Å; P161-W291 WeakPolarHBondContact CA-O 3.31Å; P161-W291 WeakPolarHBondContact CB-O 3.26Å; D162-W291 PolarHBondContact N-O 2.95Å; A163-W291 HydrophobicContact CB-CB 4.33Å; A163-W291 HydrophobicContact CB-CE3 4.26Å; A163-W291 PolarHBondContact O-N 3.44Å; Y182-W291 HydrophobicContact CD1-CB 3.73Å; Y182-W291 HydrophobicContact CD1-CG 4.23Å; Y182-W291 AromaticContact CD2-CD2 3.93Å; Y182-W291 HydrophobicContact CD2-CD2 3.93Å; Y182-W291 AromaticContact CD2-CE3 3.86Å; Y182-W291 HydrophobicContact CD2-CE3 3.86Å; Y182-W291 HydrophobicContact CD2-CG 4.3Å; Y182-W291 HydrophobicContact CD2-CZ3 4.19Å; Y182-W291 HydrophobicContact CE1-CB 4.35Å; Y182-W291 HydrophobicContact CE2-CD2 4.45Å; Y182-W291 AromaticContact CE2-CE3 3.93Å; Y182-W291 HydrophobicContact CE2-CE3 3.93Å; Y182-W291 HydrophobicContact CE2-CZ3 4.1Å; Y182-W291 HydrophobicContact CG-CB 3.9Å; Y182-W291 HydrophobicContact CG-CD2 4.01Å; Y182-W291 HydrophobicContact CG-CE3 4.27Å; Y182-W291 AromaticContact CG-CG 3.88Å; Y182-W291 HydrophobicContact CG-CG 3.88Å; N184-W291 VanDerWaalsContact CG-CD1 3.45Å; N184-W291 VanDerWaalsContact CG-NE1 3.32Å; N184-W291 PolarHBondContact ND2-NE1 2.95Å; N184-W291 VanDerWaalsContact ND2-NE1 3.13Å; N289-W291 PolarHBondContact ND2-NE1 3.1Å
292Y98.9Very high98.7Very high0 Ų044.8 Ų44.80%022%0.215CC..EExtended strand (participates in β ladder)trans-112.9122.3172.8-62.8-100.4000107.7V150 S154 L157 K159 P161 Y182 E183 L185 F290 M294V150-Y292 PolarHBondContact N-OH 2.79Å; V150-Y292 VanDerWaalsContact N-OH 3.12Å; S154-Y292 VanDerWaalsContact OG-CE1 3.28Å; S154-Y292 WeakPolarHBondContact OG-CE1 3.46Å; S154-Y292 PolarHBondContact OG-OH 3.38Å; S154-Y292 VanDerWaalsContact OG-OH 3.04Å; L157-Y292 HydrophobicContact CD1-CD1 3.79Å; L157-Y292 HydrophobicContact CD1-CD2 4.02Å; L157-Y292 HydrophobicContact CD1-CE1 4.42Å; L157-Y292 HydrophobicContact CD1-CG 3.55Å; K159-Y292 HydrophobicContact CG-CD1 4.13Å; K159-Y292 WeakPolarHBondContact O-CE1 3.3Å; P161-Y292 HydrophobicContact CB-CD1 4.24Å; P161-Y292 HydrophobicContact CB-CD2 4.3Å; P161-Y292 HydrophobicContact CB-CE1 4.02Å; P161-Y292 HydrophobicContact CB-CE2 4.05Å; P161-Y292 HydrophobicContact CB-CG 4.39Å; P161-Y292 HydrophobicContact CG-CE1 4.29Å; P161-Y292 VanDerWaalsContact N-CE1 3.35Å; Y182-Y292 CarbonylContact C-O 3.03Å; Y182-Y292 WeakPolarHBondContact CA-O 3.48Å; E183-Y292 PolarHBondContact N-O 3.3Å; E183-Y292 PolarHBondContact O-N 3.13Å; L185-Y292 HydrophobicContact CD1-CE2 3.96Å; F290-Y292 HydrophobicContact CB-CD2 4.35Å; F290-Y292 HydrophobicContact CB-CE2 3.69Å; Y292-M294 PolarHBondContact O-N 3.04Å
293D98.6Very high98.7Very high44 Ų4443.8 Ų43.824%0.23521%0.207CC..EExtended strand (participates in β ladder)trans-55.8133.7179.3-173.632.5000110K159 D162 Y182 Y296K159-D293 PolarHBondContact NZ-O 3.15Å; D162-D293 WeakPolarHBondContact OD2-CB 3.37Å; Y182-D293 HydrophobicContact CD1-CB 4.34Å; Y182-D293 HydrophobicContact CE1-CB 4.03Å; D293-Y296 WeakPolarHBondContact OD1-CE2 3.35Å; D293-Y296 PolarHBondContact OD1-OH 3.22Å; D293-Y296 VanDerWaalsContact OD1-OH 3.1Å
294M98.4Very high98.7Very high8 Ų842.6 Ų42.64%0.03920%0.201CC..PPolyproline II helixtrans-65.3159.6-175.872.2175.8-66.800111.2P181 A273 L274 Y292 Y296 Y300P181-M294 HydrophobicContact CB-CG 4.43Å; P181-M294 HydrophobicContact CB-SD 4.13Å; P181-M294 WeakPolarHBondContact O-CB 3.41Å; P181-M294 VanDerWaalsContact O-CG 3.29Å; P181-M294 WeakPolarHBondContact O-CG 3.49Å; P181-M294 PolarHBondContact O-N 2.98Å; P181-M294 VanDerWaalsContact O-N 3.13Å; A273-M294 HydrophobicContact CB-CB 3.59Å; A273-M294 HydrophobicContact CB-CE 4.09Å; A273-M294 HydrophobicContact CB-CG 4.38Å; A273-M294 HydrophobicContact CB-SD 4Å; L274-M294 HydrophobicContact CD1-CE 3.9Å; L274-M294 HydrophobicContact CD1-SD 4.26Å; L274-M294 HydrophobicContact CD2-SD 3.92Å; L274-M294 HydrophobicContact CG-CE 4.04Å; L274-M294 HydrophobicContact CG-SD 3.93Å; Y292-M294 PolarHBondContact O-N 3.04Å; M294-Y296 HydrophobicContact CG-CE1 4.35Å; M294-Y296 HydrophobicContact CG-CE2 4.17Å; M294-Y296 WeakPolarHBondContact O-CD2 3.47Å; M294-Y300 HydrophobicContact CE-CD2 4.21Å; M294-Y300 HydrophobicContact SD-CD2 4.15Å
295E98.4Very high98.7Very high95 Ų9546.5 Ų46.544%0.44422%0.219SC..PPolyproline II helixtrans-77.6122.9165.1-70.2-5914100109.5K159 D297K159-E295 WeakPolarHBondContact CE-OE1 3.25Å; K159-E295 IonicContact NZ-OE1 3.38Å; K159-E295 PolarHBondContact NZ-OE1 3Å; E295-D297 PolarHBondContact O-N 3.02Å
296Y98.3Very high98.7Very high118 Ų11847.4 Ų47.446%0.46322%0.224SC..  trans-80.465.4176.5-66-92.8000110.6D293 M294 Y300D293-Y296 WeakPolarHBondContact OD1-CE2 3.35Å; D293-Y296 PolarHBondContact OD1-OH 3.22Å; D293-Y296 VanDerWaalsContact OD1-OH 3.1Å; M294-Y296 HydrophobicContact CG-CE1 4.35Å; M294-Y296 HydrophobicContact CG-CE2 4.17Å; M294-Y296 WeakPolarHBondContact O-CD2 3.47Å; Y296-Y300 AromaticContact CD1-CD1 3.89Å; Y296-Y300 HydrophobicContact CD1-CD1 3.89Å; Y296-Y300 AromaticContact CD1-CD2 3.89Å; Y296-Y300 HydrophobicContact CD1-CD2 3.89Å; Y296-Y300 AromaticContact CD1-CE1 3.88Å; Y296-Y300 HydrophobicContact CD1-CE1 3.88Å; Y296-Y300 AromaticContact CD1-CE2 3.89Å; Y296-Y300 HydrophobicContact CD1-CE2 3.89Å; Y296-Y300 AromaticContact CD1-CG 3.89Å; Y296-Y300 HydrophobicContact CD1-CG 3.89Å; Y296-Y300 AromaticContact CD1-CZ 3.88Å; Y296-Y300 HydrophobicContact CE1-CD2 4.23Å; Y296-Y300 AromaticContact CE1-CE2 3.93Å; Y296-Y300 HydrophobicContact CE1-CE2 3.93Å
297D98.3Very high98.7Very high57 Ų5748.2 Ų48.231%0.30523%0.229SC..SBendtrans-96.2-159.5-174.172.28000112.7E295 K299 Y300 S301E295-D297 PolarHBondContact O-N 3.02Å; D297-K299 VanDerWaalsContact C-N 3.28Å; D297-K299 PolarHBondContact O-N 3.27Å; D297-K299 WeakPolarHBondContact OD1-CA 3.39Å; D297-K299 VanDerWaalsContact OD1-CB 3.26Å; D297-K299 WeakPolarHBondContact OD1-CB 3.35Å; D297-K299 PolarHBondContact OD1-N 3.22Å; D297-K299 VanDerWaalsContact OD2-CE 3.3Å; D297-K299 WeakPolarHBondContact OD2-CE 3.39Å; D297-Y300 PolarHBondContact O-N 3.28Å; D297-S301 PolarHBondContact O-N 2.93Å; D297-S301 VanDerWaalsContact O-N 3.15Å; D297-S301 PolarHBondContact O-OG 2.9Å
298L98.6Very high98.7Very high108 Ų10851.3 Ų51.357%0.56525%0.25SS*.Hα-helixtrans-61.4-33.5177.8-17759.2000112.8Y300 S301 Y302L298-Y300 VanDerWaalsContact C-N 3.35Å; L298-S301 PolarHBondContact O-N 3.42Å; L298-Y302 HydrophobicContact CD1-CD2 3.81Å; L298-Y302 HydrophobicContact CD1-CE2 3.46Å; L298-Y302 VanDerWaalsContact CD1-CE2 3.46Å; L298-Y302 HydrophobicContact CD2-CD2 4.38Å; L298-Y302 HydrophobicContact CD2-CE2 3.7Å; L298-Y302 HydrophobicContact CG-CD2 3.62Å; L298-Y302 HydrophobicContact CG-CE2 3.38Å; L298-Y302 VanDerWaalsContact O-CD2 3.28Å; L298-Y302 WeakPolarHBondContact O-CD2 3.43Å; L298-Y302 PolarHBondContact O-N 2.91Å
299K98.4Very high98.6Very high73 Ų7354.6 Ų54.632%0.31727%0.268SS..Hα-helixtrans-64.6-42.6178.1-62.8179.7-70.9178.20110.5V46 C47 D297 Y302 F303V46-K299 PolarHBondContact O-NZ 3.35Å; C47-K299 WeakPolarHBondContact O-CD 3.46Å; C47-K299 PolarHBondContact O-NZ 2.87Å; D297-K299 VanDerWaalsContact C-N 3.28Å; D297-K299 PolarHBondContact O-N 3.27Å; D297-K299 WeakPolarHBondContact OD1-CA 3.39Å; D297-K299 VanDerWaalsContact OD1-CB 3.26Å; D297-K299 WeakPolarHBondContact OD1-CB 3.35Å; D297-K299 PolarHBondContact OD1-N 3.22Å; D297-K299 VanDerWaalsContact OD2-CE 3.3Å; D297-K299 WeakPolarHBondContact OD2-CE 3.39Å; K299-Y302 PolarHBondContact O-N 3.09Å; K299-F303 WeakPolarHBondContact O-CB 3.49Å; K299-F303 PolarHBondContact O-N 2.86Å
300Y98.7Very high98.6Very high68 Ų6854.6 Ų54.627%0.26727%0.268SS..Hα-helixtrans-61.1-47.9174.9176.8-98.9000111.2L274 M294 Y296 D297 L298 Y302 F303 Q304L274-Y300 HydrophobicContact CD1-CD2 4.35Å; M294-Y300 HydrophobicContact CE-CD2 4.21Å; M294-Y300 HydrophobicContact SD-CD2 4.15Å; Y296-Y300 AromaticContact CD1-CD1 3.89Å; Y296-Y300 HydrophobicContact CD1-CD1 3.89Å; Y296-Y300 AromaticContact CD1-CD2 3.89Å; Y296-Y300 HydrophobicContact CD1-CD2 3.89Å; Y296-Y300 AromaticContact CD1-CE1 3.88Å; Y296-Y300 HydrophobicContact CD1-CE1 3.88Å; Y296-Y300 AromaticContact CD1-CE2 3.89Å; Y296-Y300 HydrophobicContact CD1-CE2 3.89Å; Y296-Y300 AromaticContact CD1-CG 3.89Å; Y296-Y300 HydrophobicContact CD1-CG 3.89Å; Y296-Y300 AromaticContact CD1-CZ 3.88Å; Y296-Y300 HydrophobicContact CE1-CD2 4.23Å; Y296-Y300 AromaticContact CE1-CE2 3.93Å; Y296-Y300 HydrophobicContact CE1-CE2 3.93Å; D297-Y300 PolarHBondContact O-N 3.28Å; L298-Y300 VanDerWaalsContact C-N 3.35Å; Y300-Y302 VanDerWaalsContact C-N 3.32Å; Y300-Y302 PolarHBondContact O-N 2.89Å; Y300-F303 PolarHBondContact O-N 2.9Å; Y300-F303 VanDerWaalsContact O-N 3.13Å; Y300-Q304 HydrophobicContact CD1-CG 4.16Å; Y300-Q304 HydrophobicContact CE1-CG 3.7Å; Y300-Q304 HydrophobicContact CE2-CG 4.13Å; Y300-Q304 VanDerWaalsContact CE2-NE2 3.27Å; Y300-Q304 VanDerWaalsContact CZ-NE2 3.29Å; Y300-Q304 WeakPolarHBondContact O-CG 3.26Å; Y300-Q304 PolarHBondContact O-N 3.45Å; Y300-Q304 PolarHBondContact OH-NE2 2.87Å
301S98.8Very high98.5Very high69 Ų6959.4 Ų59.448%0.48329%0.288SS..Hα-helixtrans-59.3-42178.2-600000112.3D297 L298 Q304 L305D297-S301 PolarHBondContact O-N 2.93Å; D297-S301 VanDerWaalsContact O-N 3.15Å; D297-S301 PolarHBondContact O-OG 2.9Å; L298-S301 PolarHBondContact O-N 3.42Å; S301-Q304 PolarHBondContact O-N 3.21Å; S301-L305 PolarHBondContact O-N 3.35Å
302Y98.8Very high98.5Very high149 Ų14962.6 Ų62.658%0.58432%0.318SS*.Hα-helixtrans-66.3-38.4174.6-82.3-53.4000113.1L298 K299 Y300 L305 L306L298-Y302 HydrophobicContact CD1-CD2 3.81Å; L298-Y302 HydrophobicContact CD1-CE2 3.46Å; L298-Y302 VanDerWaalsContact CD1-CE2 3.46Å; L298-Y302 HydrophobicContact CD2-CD2 4.38Å; L298-Y302 HydrophobicContact CD2-CE2 3.7Å; L298-Y302 HydrophobicContact CG-CD2 3.62Å; L298-Y302 HydrophobicContact CG-CE2 3.38Å; L298-Y302 VanDerWaalsContact O-CD2 3.28Å; L298-Y302 WeakPolarHBondContact O-CD2 3.43Å; L298-Y302 PolarHBondContact O-N 2.91Å; K299-Y302 PolarHBondContact O-N 3.09Å; Y300-Y302 VanDerWaalsContact C-N 3.32Å; Y300-Y302 PolarHBondContact O-N 2.89Å; Y302-L305 HydrophobicContact CD1-CD2 4.47Å; Y302-L305 PolarHBondContact O-N 2.87Å; Y302-L306 WeakPolarHBondContact O-CB 3.39Å; Y302-L306 PolarHBondContact O-N 2.94Å
303F98.8Very high98.3Very high12 Ų1262.8 Ų62.85%0.05332%0.32CS..Hα-helixtrans-62.9-43.7175178.7-94.4000111.6K179 P200 R203 L274 F276 K299 Y300 L305 L306 D307K179-F303 HydrophobicContact CD-CE1 4.18Å; K179-F303 HydrophobicContact CD-CZ 3.75Å; K179-F303 VanDerWaalsContact CE-CZ 3.43Å; P200-F303 HydrophobicContact CB-CD2 3.74Å; P200-F303 HydrophobicContact CB-CE2 3.99Å; R203-F303 HydrophobicContact CB-CE2 4.16Å; R203-F303 HydrophobicContact CG-CE2 4.34Å; L274-F303 HydrophobicContact CD1-CB 3.94Å; L274-F303 HydrophobicContact CD1-CD1 4.01Å; L274-F303 HydrophobicContact CD1-CD2 4.45Å; L274-F303 HydrophobicContact CD1-CG 3.85Å; F276-F303 HydrophobicContact CZ-CE2 4.3Å; F276-F303 HydrophobicContact CZ-CZ 4.26Å; K299-F303 WeakPolarHBondContact O-CB 3.49Å; K299-F303 PolarHBondContact O-N 2.86Å; Y300-F303 PolarHBondContact O-N 2.9Å; Y300-F303 VanDerWaalsContact O-N 3.13Å; F303-L305 VanDerWaalsContact C-N 3.32Å; F303-L305 PolarHBondContact O-N 3.44Å; F303-L306 PolarHBondContact O-N 3.42Å; F303-D307 HydrophobicContact CE1-CB 4.48Å; F303-D307 WeakPolarHBondContact O-CB 3.4Å; F303-D307 PolarHBondContact O-N 3.37Å
304Q98.8Very high98.2Very high66 Ų6663.3 Ų63.331%0.30834%0.336SS..Hα-helixtrans-62.5-39.3176.4-66.4-59.8-31.900112.1Y300 S301 S308Y300-Q304 HydrophobicContact CD1-CG 4.16Å; Y300-Q304 HydrophobicContact CE1-CG 3.7Å; Y300-Q304 HydrophobicContact CE2-CG 4.13Å; Y300-Q304 VanDerWaalsContact CE2-NE2 3.27Å; Y300-Q304 VanDerWaalsContact CZ-NE2 3.29Å; Y300-Q304 WeakPolarHBondContact O-CG 3.26Å; Y300-Q304 PolarHBondContact O-N 3.45Å; Y300-Q304 PolarHBondContact OH-NE2 2.87Å; S301-Q304 PolarHBondContact O-N 3.21Å; Q304-S308 VanDerWaalsContact O-CB 3.27Å; Q304-S308 WeakPolarHBondContact O-CB 3.27Å; Q304-S308 PolarHBondContact O-N 2.76Å; Q304-S308 PolarHBondContact O-OG 3.25Å
305L98.8Very high97.8Very high90 Ų9064.2 Ų64.247%0.47134%0.341SS..Hα-helixtrans-62.6-47.2172.6178.763.4000111.3S301 Y302 F303 S308 L309S301-L305 PolarHBondContact O-N 3.35Å; Y302-L305 HydrophobicContact CD1-CD2 4.47Å; Y302-L305 PolarHBondContact O-N 2.87Å; F303-L305 VanDerWaalsContact C-N 3.32Å; F303-L305 PolarHBondContact O-N 3.44Å; L305-S308 PolarHBondContact O-N 3.35Å; L305-L309 HydrophobicContact CD1-CD1 3.81Å; L305-L309 HydrophobicContact CD1-CG 3.93Å; L305-L309 HydrophobicContact CG-CD1 3.83Å; L305-L309 HydrophobicContact CG-CG 4.32Å; L305-L309 WeakPolarHBondContact O-CB 3.47Å; L305-L309 VanDerWaalsContact O-CG 3.26Å; L305-L309 WeakPolarHBondContact O-CG 3.29Å; L305-L309 PolarHBondContact O-N 3.04Å
306L98.8Very high96.9Very high20 Ų2063.2 Ų63.211%0.10534%0.338CS..Hα-helixtrans-60.2-47.5178.9-178.866.1000111.8L13 F16 R203 P204 Y302 F303 L309 T310L13-L306 HydrophobicContact CD2-CD1 3.76Å; F16-L306 HydrophobicContact CD1-CD1 3.96Å; F16-L306 HydrophobicContact CD1-CD2 4.19Å; F16-L306 HydrophobicContact CE1-CD1 4.16Å; F16-L306 HydrophobicContact CE1-CD2 3.71Å; R203-L306 HydrophobicContact CB-CD2 4.1Å; P204-L306 HydrophobicContact CG-CD1 3.82Å; P204-L306 HydrophobicContact CG-CG 4.31Å; Y302-L306 WeakPolarHBondContact O-CB 3.39Å; Y302-L306 PolarHBondContact O-N 2.94Å; F303-L306 PolarHBondContact O-N 3.42Å; L306-L309 PolarHBondContact O-N 3.13Å; L306-T310 WeakPolarHBondContact O-CB 3.48Å; L306-T310 PolarHBondContact O-N 2.91Å; L306-T310 PolarHBondContact O-OG1 3.5Å
307D98.6Very high96.9Very high18 Ų1860.5 Ų60.510%0.09633%0.332CS..Hα-helixtrans-60-47.2176.5177.270.8000111.3R203 F303 L309 T310 K311R203-D307 HydrophobicContact CG-CB 4.48Å; R203-D307 IonicContact CZ-OD1 2.78Å; R203-D307 IonicContact NE-OD1 3.4Å; R203-D307 PolarHBondContact NE-OD1 2.9Å; R203-D307 IonicContact NH2-OD1 2.71Å; R203-D307 PolarHBondContact NH2-OD1 3.13Å; F303-D307 HydrophobicContact CE1-CB 4.48Å; F303-D307 WeakPolarHBondContact O-CB 3.4Å; F303-D307 PolarHBondContact O-N 3.37Å; D307-L309 PolarHBondContact O-N 3.31Å; D307-T310 PolarHBondContact O-N 3.38Å; D307-K311 WeakPolarHBondContact O-CG 3.13Å; D307-K311 PolarHBondContact O-N 2.87Å; D307-K311 VanDerWaalsContact O-N 3.15Å; D307-K311 WeakPolarHBondContact OD1-CE 3.21Å; D307-K311 IonicContact OD1-NZ 3.98Å; D307-K311 PolarHBondContact OD1-NZ 2.83Å; D307-K311 WeakPolarHBondContact OD2-CE 3.22Å; D307-K311 IonicContact OD2-NZ 3.18Å; D307-K311 PolarHBondContact OD2-NZ 2.69Å
308S98.5Very high96.8Very high64 Ų6460.6 Ų60.645%0.44833%0.333SS..Hα-helixtrans-63.6-43.4179.3-61.20000112.2Q304 L305 K311 A312Q304-S308 VanDerWaalsContact O-CB 3.27Å; Q304-S308 WeakPolarHBondContact O-CB 3.27Å; Q304-S308 PolarHBondContact O-N 2.76Å; Q304-S308 PolarHBondContact O-OG 3.25Å; L305-S308 PolarHBondContact O-N 3.35Å; S308-K311 PolarHBondContact O-N 2.78Å; S308-A312 WeakPolarHBondContact O-CB 3.45Å; S308-A312 PolarHBondContact O-N 2.98Å
309L98.5Very high96.7Very high70 Ų7058 Ų5837%0.36632%0.32SS..Hα-helixtrans-68.8-34.7177.9-72.1176.5000112.3L13 L305 L306 D307 A312 S313L13-L309 HydrophobicContact CD1-CB 4.14Å; L13-L309 HydrophobicContact CD2-CB 4.16Å; L305-L309 HydrophobicContact CD1-CD1 3.81Å; L305-L309 HydrophobicContact CD1-CG 3.93Å; L305-L309 HydrophobicContact CG-CD1 3.83Å; L305-L309 HydrophobicContact CG-CG 4.32Å; L305-L309 WeakPolarHBondContact O-CB 3.47Å; L305-L309 VanDerWaalsContact O-CG 3.26Å; L305-L309 WeakPolarHBondContact O-CG 3.29Å; L305-L309 PolarHBondContact O-N 3.04Å; L306-L309 PolarHBondContact O-N 3.13Å; D307-L309 PolarHBondContact O-N 3.31Å; L309-A312 PolarHBondContact O-N 3.19Å; L309-S313 WeakPolarHBondContact O-CB 3.28Å; L309-S313 PolarHBondContact O-N 3.1Å; L309-S313 PolarHBondContact O-OG 2.8Å
310T98.3Very high96.6Very high0 Ų057.1 Ų57.10%032%0.32CS..Hα-helixtrans-59.9-50.6175.2-59.70000110.1P204 L306 D307 S313 G314 L315 D316P204-T310 HydrophobicContact CB-CG2 4.45Å; L306-T310 WeakPolarHBondContact O-CB 3.48Å; L306-T310 PolarHBondContact O-N 2.91Å; L306-T310 PolarHBondContact O-OG1 3.5Å; D307-T310 PolarHBondContact O-N 3.38Å; T310-S313 PolarHBondContact O-OG 2.93Å; T310-S313 VanDerWaalsContact O-OG 3.11Å; T310-G314 PolarHBondContact O-N 3.32Å; T310-L315 HydrophobicContact CG2-CB 3.97Å; T310-L315 PolarHBondContact O-N 3.08Å; T310-L315 VanDerWaalsContact O-N 3.17Å; T310-D316 HydrophobicContact CG2-CB 3.66Å
311K97Very high96.5Very high101 Ų10156.4 Ų56.444%0.43932%0.324SS..Hα-helixtrans-62.8-49.9175.8-66.5167.7179.4165.20112.1D307 S308 S313 G314D307-K311 WeakPolarHBondContact O-CG 3.13Å; D307-K311 PolarHBondContact O-N 2.87Å; D307-K311 VanDerWaalsContact O-N 3.15Å; D307-K311 WeakPolarHBondContact OD1-CE 3.21Å; D307-K311 IonicContact OD1-NZ 3.98Å; D307-K311 PolarHBondContact OD1-NZ 2.83Å; D307-K311 WeakPolarHBondContact OD2-CE 3.22Å; D307-K311 IonicContact OD2-NZ 3.18Å; D307-K311 PolarHBondContact OD2-NZ 2.69Å; S308-K311 PolarHBondContact O-N 2.78Å; K311-S313 PolarHBondContact O-N 3.38Å; K311-G314 PolarHBondContact O-N 2.9Å; K311-G314 VanDerWaalsContact O-N 3.09Å
312A97.3Very high96.3Very high84 Ų8455.6 Ų55.669%0.69431%0.313SS*.Hα-helixtrans-65.5-27-176.200000113.4S308 L309S308-A312 WeakPolarHBondContact O-CB 3.45Å; S308-A312 PolarHBondContact O-N 2.98Å; L309-A312 PolarHBondContact O-N 3.19Å
313S96.7Very high96.1Very high5 Ų548.9 Ų48.94%0.03529%0.294CS..Hα-helixtrans-86-8.8176.965.30000113.9R10 L13 L309 T310 K311R10-S313 PolarHBondContact NE-O 3.36Å; R10-S313 PolarHBondContact NH2-O 2.94Å; L13-S313 WeakPolarHBondContact CD1-OG 3.36Å; L309-S313 WeakPolarHBondContact O-CB 3.28Å; L309-S313 PolarHBondContact O-N 3.1Å; L309-S313 PolarHBondContact O-OG 2.8Å; T310-S313 PolarHBondContact O-OG 2.93Å; T310-S313 VanDerWaalsContact O-OG 3.11Å; K311-S313 PolarHBondContact O-N 3.38Å
314G94.5Very high95.9Very high55 Ų5551.8 Ų51.857%0.56731%0.312SS*.THydrogen-bonded Turntrans70.231.6-17700000113.4T310 K311 D316T310-G314 PolarHBondContact O-N 3.32Å; K311-G314 PolarHBondContact O-N 2.9Å; K311-G314 VanDerWaalsContact O-N 3.09Å; G314-D316 VanDerWaalsContact C-N 3.32Å
315L90.4Very high95.7Very high27 Ų2750.6 Ų50.614%0.14131%0.313CS..  trans-81.2-19.3168.5-71.6179.1000112.5R10 L13 R14 T310R10-L315 HydrophobicContact CB-CD2 4.38Å; R10-L315 HydrophobicContact CG-CD2 4.27Å; R10-L315 HydrophobicContact CG-CG 4.37Å; L13-L315 HydrophobicContact CB-CD1 3.54Å; L13-L315 HydrophobicContact CD1-CD1 3.87Å; L13-L315 HydrophobicContact CG-CD1 4.37Å; R14-L315 HydrophobicContact CG-CD1 4.31Å; R14-L315 HydrophobicContact CG-CD2 4.22Å; R14-L315 VanDerWaalsContact NE-CD2 3.31Å; R14-L315 VanDerWaalsContact NH2-CD2 3.27Å; T310-L315 HydrophobicContact CG2-CB 3.97Å; T310-L315 PolarHBondContact O-N 3.08Å; T310-L315 VanDerWaalsContact O-N 3.17Å
316D80.8Confident95.4Very high73 Ų7347 Ų4739%0.3930%0.298SS..  trans-1360176.6-175.835.9000109R203 P207 Y208 T310 G314R203-D316 IonicContact CZ-OD2 2.68Å; R203-D316 IonicContact NH1-OD2 2.69Å; R203-D316 PolarHBondContact NH1-OD2 3.24Å; R203-D316 IonicContact NH2-OD2 2.78Å; R203-D316 PolarHBondContact NH2-OD2 3.29Å; P207-D316 WeakPolarHBondContact CA-OD1 3.3Å; Y208-D316 WeakPolarHBondContact CB-OD2 3.45Å; Y208-D316 PolarHBondContact N-OD1 2.94Å; Y208-D316 PolarHBondContact N-OD2 3.15Å; T310-D316 HydrophobicContact CG2-CB 3.66Å; G314-D316 VanDerWaalsContact C-N 3.32Å

Retrieved 316 of 316 residues in 650.3 ms (Link to these results)

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