A0A087Y7N8_POEFO Loading...

Peptidase M20 domain-containing protein 2

AlphaFold DB , UniProt , Accession A0A087Y7N8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 405 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
1M56.2Low88.5Confident200 Ų20072.5 Ų72.599%0.98537%0.371SS*.  0-45.50-68.2-169.8-165.700112.5N3 R4 H5M1-N3 PolarHBondContact O-N 3.16Å; M1-R4 PolarHBondContact O-N 3.34Å; M1-H5 PolarHBondContact O-N 3.23Å
2A59.4Low89.3Confident76 Ų7671.3 Ų71.363%0.62836%0.363SS*.Hα-helixtrans-57-46.6179.700000114R4 H5 Q6A2-R4 VanDerWaalsContact C-N 3.34Å; A2-R4 PolarHBondContact O-N 2.76Å; A2-H5 PolarHBondContact O-N 3.33Å; A2-Q6 PolarHBondContact O-N 3.03Å
3N84.1Confident90Very high81 Ų8176.2 Ų76.243%0.43338%0.383SS..Hα-helixtrans-65.5-35.4-177.5-56.722.3000112.6M1 Q6 M7 Q126M1-N3 PolarHBondContact O-N 3.16Å; N3-Q6 PolarHBondContact O-N 2.83Å; N3-M7 WeakPolarHBondContact O-CB 3.45Å; N3-M7 VanDerWaalsContact O-CG 3.23Å; N3-M7 WeakPolarHBondContact O-CG 3.47Å; N3-M7 PolarHBondContact O-N 3.02Å; N3-Q126 PolarHBondContact ND2-OE1 3.4Å
4R93.4Very high90.6Very high96 Ų9676.4 Ų76.436%0.36238%0.377SS..Hα-helixtrans-65.8-40.8179.7-171.3178.372.2171.6-4.9112.5M1 A2 K8 V380 D381 C384M1-R4 PolarHBondContact O-N 3.34Å; A2-R4 VanDerWaalsContact C-N 3.34Å; A2-R4 PolarHBondContact O-N 2.76Å; R4-K8 WeakPolarHBondContact O-CG 3.39Å; R4-K8 PolarHBondContact O-N 2.99Å; R4-K8 VanDerWaalsContact O-N 3.12Å; R4-V380 HydrophobicContact CG-CG1 4.1Å; R4-D381 VanDerWaalsContact CD-OD1 3.27Å; R4-D381 WeakPolarHBondContact CD-OD1 3.48Å; R4-D381 IonicContact CZ-OD1 3.18Å; R4-D381 IonicContact NE-OD1 2.79Å; R4-D381 IonicContact NH1-OD1 3.38Å; R4-D381 PolarHBondContact NH1-OD1 3.42Å; R4-C384 HydrophobicContact CB-CB 4.32Å; R4-C384 HydrophobicContact CG-CB 4.25Å
5H94.6Very high91.1Very high117 Ų11771.3 Ų71.354%0.54235%0.352SS..Hα-helixtrans-64.5-49.6177.1-174.4-90.2000110.9M1 A2 M7 K8 E9M1-H5 PolarHBondContact O-N 3.23Å; A2-H5 PolarHBondContact O-N 3.33Å; H5-M7 VanDerWaalsContact C-N 3.3Å; H5-M7 PolarHBondContact O-N 2.96Å; H5-K8 PolarHBondContact O-N 3.19Å; H5-K8 VanDerWaalsContact O-N 3.1Å; H5-E9 IonicContact CE1-OE1 3.9Å; H5-E9 PolarHBondContact CE1-OE1 2.94Å; H5-E9 IonicContact CE1-OE2 3.99Å; H5-E9 PolarHBondContact CE1-OE2 2.8Å; H5-E9 IonicContact ND1-OE1 3.65Å; H5-E9 IonicContact ND1-OE2 3.36Å; H5-E9 PolarHBondContact ND1-OE2 3.46Å; H5-E9 WeakPolarHBondContact O-CG 3.22Å; H5-E9 PolarHBondContact O-N 3.17Å
6Q95.7Very high91.6Very high96 Ų9672.4 Ų72.445%0.44936%0.356SS..Hα-helixtrans-56.7-43.3177.7-175.4-177.811.800112.2A2 N3 E9 A10A2-Q6 PolarHBondContact O-N 3.03Å; N3-Q6 PolarHBondContact O-N 2.83Å; Q6-E9 PolarHBondContact O-N 3.29Å; Q6-A10 WeakPolarHBondContact O-CB 3.25Å; Q6-A10 PolarHBondContact O-N 3.12Å
7M97.5Very high92Very high1 Ų172.9 Ų72.91%0.00537%0.368CS..Hα-helixtrans-59.9-47.1175.2-75.6179.183.800112N3 H5 E9 A10 L11 A122 V123 T125 Q126 L129 V380 C384N3-M7 WeakPolarHBondContact O-CB 3.45Å; N3-M7 VanDerWaalsContact O-CG 3.23Å; N3-M7 WeakPolarHBondContact O-CG 3.47Å; N3-M7 PolarHBondContact O-N 3.02Å; H5-M7 VanDerWaalsContact C-N 3.3Å; H5-M7 PolarHBondContact O-N 2.96Å; M7-E9 VanDerWaalsContact C-N 3.31Å; M7-E9 PolarHBondContact O-N 3.47Å; M7-A10 PolarHBondContact O-N 2.85Å; M7-L11 VanDerWaalsContact O-CB 3.26Å; M7-L11 WeakPolarHBondContact O-CB 3.45Å; M7-L11 PolarHBondContact O-N 3.02Å; M7-A122 HydrophobicContact CB-CB 3.9Å; M7-A122 HydrophobicContact CE-CB 4.04Å; M7-A122 HydrophobicContact CG-CB 4.35Å; M7-A122 WeakPolarHBondContact O-CB 3.39Å; M7-V123 HydrophobicContact CE-CG2 4.37Å; M7-T125 WeakPolarHBondContact CG-OG1 3.34Å; M7-Q126 HydrophobicContact CE-CG 4.32Å; M7-Q126 HydrophobicContact CG-CG 3.77Å; M7-Q126 HydrophobicContact SD-CB 4.49Å; M7-Q126 HydrophobicContact SD-CG 3.58Å; M7-Q126 VanDerWaalsContact SD-CG 3.58Å; M7-L129 HydrophobicContact CE-CD1 3.77Å; M7-L129 HydrophobicContact SD-CD1 4.15Å; M7-V380 HydrophobicContact CB-CG1 3.72Å; M7-V380 HydrophobicContact CB-CG2 4.39Å; M7-V380 HydrophobicContact CE-CG1 4.34Å; M7-V380 HydrophobicContact CE-CG2 4.34Å; M7-V380 HydrophobicContact SD-CG1 4.2Å; M7-C384 PolarHBondContact SD-SG 3.47Å
8K98.3Very high92.3Very high26 Ų2669.2 Ų69.211%0.11335%0.349CS..Hα-helixtrans-65.2-33.8178.3-70.1-174.3174.2-1710112.4R4 H5 Q12 N307 M377 V380 D381R4-K8 WeakPolarHBondContact O-CG 3.39Å; R4-K8 PolarHBondContact O-N 2.99Å; R4-K8 VanDerWaalsContact O-N 3.12Å; H5-K8 PolarHBondContact O-N 3.19Å; H5-K8 VanDerWaalsContact O-N 3.1Å; K8-Q12 VanDerWaalsContact O-CG 3.24Å; K8-Q12 WeakPolarHBondContact O-CG 3.46Å; K8-Q12 PolarHBondContact O-N 2.87Å; K8-Q12 VanDerWaalsContact O-N 3.15Å; K8-Q12 PolarHBondContact O-NE2 2.78Å; K8-N307 PolarHBondContact NZ-OD1 2.96Å; K8-M377 HydrophobicContact CB-CG 4.21Å; K8-M377 HydrophobicContact CD-CB 4.16Å; K8-M377 HydrophobicContact CD-CE 3.82Å; K8-M377 HydrophobicContact CD-CG 4.05Å; K8-M377 WeakPolarHBondContact CE-O 3.42Å; K8-M377 HydrophobicContact CG-CB 4.27Å; K8-M377 HydrophobicContact CG-CG 3.9Å; K8-V380 HydrophobicContact CG-CB 4.37Å; K8-V380 HydrophobicContact CG-CG1 3.96Å; K8-D381 WeakPolarHBondContact CE-OD1 3.5Å; K8-D381 WeakPolarHBondContact CE-OD2 3.31Å; K8-D381 IonicContact NZ-OD1 2.78Å; K8-D381 PolarHBondContact NZ-OD1 2.74Å; K8-D381 IonicContact NZ-OD2 2.7Å; K8-D381 PolarHBondContact NZ-OD2 2.81Å
9E97.9Very high92.6Very high85 Ų8569.7 Ų69.740%0.39735%0.349SS..Hα-helixtrans-68.2-49.6174.5-73177.1131.400111.8H5 Q6 M7 L11 Q12 Q13H5-E9 IonicContact CE1-OE1 3.9Å; H5-E9 PolarHBondContact CE1-OE1 2.94Å; H5-E9 IonicContact CE1-OE2 3.99Å; H5-E9 PolarHBondContact CE1-OE2 2.8Å; H5-E9 IonicContact ND1-OE1 3.65Å; H5-E9 IonicContact ND1-OE2 3.36Å; H5-E9 PolarHBondContact ND1-OE2 3.46Å; H5-E9 WeakPolarHBondContact O-CG 3.22Å; H5-E9 PolarHBondContact O-N 3.17Å; Q6-E9 PolarHBondContact O-N 3.29Å; M7-E9 VanDerWaalsContact C-N 3.31Å; M7-E9 PolarHBondContact O-N 3.47Å; E9-L11 VanDerWaalsContact C-N 3.27Å; E9-L11 PolarHBondContact O-N 2.91Å; E9-Q12 PolarHBondContact O-N 2.93Å; E9-Q13 WeakPolarHBondContact O-CB 3.42Å; E9-Q13 VanDerWaalsContact O-CG 3.31Å; E9-Q13 WeakPolarHBondContact O-CG 3.4Å; E9-Q13 PolarHBondContact O-N 3.39Å
10A98.1Very high92.8Very high20 Ų2072.9 Ų72.917%0.16536%0.363CS..Hα-helixtrans-58.6-41.2178.800000111.8Q6 M7 R14 T125Q6-A10 WeakPolarHBondContact O-CB 3.25Å; Q6-A10 PolarHBondContact O-N 3.12Å; M7-A10 PolarHBondContact O-N 2.85Å; A10-R14 WeakPolarHBondContact O-CB 3.45Å; A10-R14 PolarHBondContact O-N 2.91Å; A10-T125 HydrophobicContact CB-CG2 3.63Å
11L98.2Very high93.1Very high0 Ų074.1 Ų74.10%037%0.368CS..Hα-helixtrans-59.1-51.3174.3-178.6143.8000112.8M7 E9 Q13 R14 I15 G118 A122 K373 A376 M377 V380M7-L11 VanDerWaalsContact O-CB 3.26Å; M7-L11 WeakPolarHBondContact O-CB 3.45Å; M7-L11 PolarHBondContact O-N 3.02Å; E9-L11 VanDerWaalsContact C-N 3.27Å; E9-L11 PolarHBondContact O-N 2.91Å; L11-Q13 VanDerWaalsContact C-N 3.33Å; L11-Q13 PolarHBondContact O-N 2.97Å; L11-R14 PolarHBondContact O-N 3.21Å; L11-I15 HydrophobicContact CD2-CD1 3.76Å; L11-I15 HydrophobicContact CG-CD1 4.34Å; L11-I15 WeakPolarHBondContact O-CG1 3.47Å; L11-I15 PolarHBondContact O-N 3.5Å; L11-G118 WeakPolarHBondContact CB-O 3.31Å; L11-G118 VanDerWaalsContact CD1-C 3.42Å; L11-G118 WeakPolarHBondContact CD1-O 3.39Å; L11-G118 VanDerWaalsContact CG-C 3.45Å; L11-G118 WeakPolarHBondContact CG-O 3.13Å; L11-A122 HydrophobicContact CB-CB 4.15Å; L11-A122 HydrophobicContact CD1-CB 4.24Å; L11-K373 HydrophobicContact CD2-CG 4.48Å; L11-A376 HydrophobicContact CD1-CB 3.34Å; L11-A376 HydrophobicContact CD2-CB 4.11Å; L11-A376 HydrophobicContact CG-CB 4.15Å; L11-M377 HydrophobicContact CD2-CG 4.21Å; L11-V380 HydrophobicContact CD1-CG2 4.13Å
12Q98.6Very high95.1Very high58 Ų5864.6 Ų64.627%0.27132%0.321SS..Hα-helixtrans-63.8-41.7-178.7-75174.376.800111.3K8 E9 R14 I15 E16 K373 M377K8-Q12 VanDerWaalsContact O-CG 3.24Å; K8-Q12 WeakPolarHBondContact O-CG 3.46Å; K8-Q12 PolarHBondContact O-N 2.87Å; K8-Q12 VanDerWaalsContact O-N 3.15Å; K8-Q12 PolarHBondContact O-NE2 2.78Å; E9-Q12 PolarHBondContact O-N 2.93Å; Q12-R14 VanDerWaalsContact C-N 3.35Å; Q12-I15 PolarHBondContact O-N 2.79Å; Q12-E16 WeakPolarHBondContact O-CB 3.39Å; Q12-E16 PolarHBondContact O-N 3.11Å; Q12-K373 HydrophobicContact CB-CD 4.49Å; Q12-K373 HydrophobicContact CG-CB 4.44Å; Q12-K373 HydrophobicContact CG-CD 4.1Å; Q12-K373 HydrophobicContact CG-CG 4.1Å; Q12-M377 HydrophobicContact CG-SD 4.33Å
13Q98.5Very high96.9Very high135 Ų13563 Ų6363%0.63130%0.3SS*.Hα-helixtrans-62.1-42.2175.4-71.5172.74.900111.5E9 L11 E16 S17E9-Q13 WeakPolarHBondContact O-CB 3.42Å; E9-Q13 VanDerWaalsContact O-CG 3.31Å; E9-Q13 WeakPolarHBondContact O-CG 3.4Å; E9-Q13 PolarHBondContact O-N 3.39Å; L11-Q13 VanDerWaalsContact C-N 3.33Å; L11-Q13 PolarHBondContact O-N 2.97Å; Q13-E16 PolarHBondContact O-N 3.31Å; Q13-S17 WeakPolarHBondContact O-CB 3.42Å; Q13-S17 PolarHBondContact O-N 2.98Å
14R98.1Very high97.6Very high78 Ų7862.6 Ų62.629%0.29430%0.303SS..Hα-helixtrans-62.5-50.1177.1179.460.6177.3174.32.1111.5A10 L11 Q12 E16 S17 L18 A121A10-R14 WeakPolarHBondContact O-CB 3.45Å; A10-R14 PolarHBondContact O-N 2.91Å; L11-R14 PolarHBondContact O-N 3.21Å; Q12-R14 VanDerWaalsContact C-N 3.35Å; R14-E16 VanDerWaalsContact C-N 3.28Å; R14-E16 PolarHBondContact O-N 3.42Å; R14-S17 PolarHBondContact O-N 3.43Å; R14-S17 PolarHBondContact O-OG 3.38Å; R14-L18 HydrophobicContact CG-CD1 4.19Å; R14-L18 WeakPolarHBondContact O-CG 3.23Å; R14-L18 PolarHBondContact O-N 2.91Å; R14-L18 VanDerWaalsContact O-N 3.16Å; R14-A121 HydrophobicContact CB-CB 3.54Å; R14-A121 HydrophobicContact CG-CB 3.7Å
15I98.5Very high97.8Very high0 Ų058.4 Ų58.40%029%0.288CS..Hα-helixtrans-59-42.9178.6-68.5175.1000110.3L11 Q12 S17 L18 K19 L22 A114 L369 A372 K373L11-I15 HydrophobicContact CD2-CD1 3.76Å; L11-I15 HydrophobicContact CG-CD1 4.34Å; L11-I15 WeakPolarHBondContact O-CG1 3.47Å; L11-I15 PolarHBondContact O-N 3.5Å; Q12-I15 PolarHBondContact O-N 2.79Å; I15-S17 PolarHBondContact O-N 2.6Å; I15-L18 PolarHBondContact O-N 3.44Å; I15-K19 PolarHBondContact O-N 2.66Å; I15-L22 HydrophobicContact CG2-CD1 4.45Å; I15-A114 WeakPolarHBondContact CG1-O 3.4Å; I15-A114 HydrophobicContact CG2-CB 4.48Å; I15-L369 HydrophobicContact CG2-CB 4.44Å; I15-L369 HydrophobicContact CG2-CD2 3.81Å; I15-A372 HydrophobicContact CD1-CB 4.38Å; I15-K373 HydrophobicContact CB-CG 4.27Å; I15-K373 HydrophobicContact CD1-CB 4.45Å; I15-K373 HydrophobicContact CD1-CG 3.73Å; I15-K373 HydrophobicContact CG2-CG 4.13Å
16E98.3Very high98Very high90 Ų9053 Ų5342%0.42126%0.263SS..Hα-helixtrans-63.3-41.8177.8-162.662.1-143.500112.3Q12 Q13 R14 L18 K19 K373Q12-E16 WeakPolarHBondContact O-CB 3.39Å; Q12-E16 PolarHBondContact O-N 3.11Å; Q13-E16 PolarHBondContact O-N 3.31Å; R14-E16 VanDerWaalsContact C-N 3.28Å; R14-E16 PolarHBondContact O-N 3.42Å; E16-L18 PolarHBondContact O-N 3.33Å; E16-K19 VanDerWaalsContact O-CB 3.25Å; E16-K19 WeakPolarHBondContact O-CB 3.46Å; E16-K19 PolarHBondContact O-N 3.45Å; E16-K373 IonicContact OE2-NZ 2.69Å; E16-K373 PolarHBondContact OE2-NZ 3.1Å
17S98.1Very high98.1Very high81 Ų8153.2 Ų53.257%0.56626%0.26SS*.Hα-helixtrans-63.4-25.2177.775.10000113.5Q13 R14 I15Q13-S17 WeakPolarHBondContact O-CB 3.42Å; Q13-S17 PolarHBondContact O-N 2.98Å; R14-S17 PolarHBondContact O-N 3.43Å; R14-S17 PolarHBondContact O-OG 3.38Å; I15-S17 PolarHBondContact O-N 2.6Å
18L97.5Very high98.2Very high5 Ų555.3 Ų55.33%0.02627%0.271CS..THydrogen-bonded Turntrans-95.6-1.1-179.4-68.7177.1000113.7R14 I15 E16 Q20 Q21 L22 L117R14-L18 HydrophobicContact CG-CD1 4.19Å; R14-L18 WeakPolarHBondContact O-CG 3.23Å; R14-L18 PolarHBondContact O-N 2.91Å; R14-L18 VanDerWaalsContact O-N 3.16Å; I15-L18 PolarHBondContact O-N 3.44Å; E16-L18 PolarHBondContact O-N 3.33Å; L18-Q20 VanDerWaalsContact C-N 3.27Å; L18-Q20 PolarHBondContact O-N 3.46Å; L18-Q20 VanDerWaalsContact O-N 3.07Å; L18-Q21 PolarHBondContact O-N 3.29Å; L18-L22 HydrophobicContact CB-CD1 3.86Å; L18-L22 HydrophobicContact CB-CG 4.15Å; L18-L22 PolarHBondContact O-N 2.98Å; L18-L117 HydrophobicContact CD1-CB 3.96Å; L18-L117 HydrophobicContact CD1-CD1 3.62Å; L18-L117 HydrophobicContact CD1-CG 4.39Å
19K97.7Very high98.2Very high79 Ų7954.1 Ų54.134%0.34327%0.266SS..Hα-helixtrans-45.4-46.2-174170.8169.5-175.1-175.70114.1I15 E16 H23 L369I15-K19 PolarHBondContact O-N 2.66Å; E16-K19 VanDerWaalsContact O-CB 3.25Å; E16-K19 WeakPolarHBondContact O-CB 3.46Å; E16-K19 PolarHBondContact O-N 3.45Å; K19-H23 VanDerWaalsContact O-CB 3.32Å; K19-H23 WeakPolarHBondContact O-CB 3.44Å; K19-H23 PolarHBondContact O-N 2.87Å; K19-L369 HydrophobicContact CB-CD1 4.03Å; K19-L369 HydrophobicContact CD-CD1 3.91Å; K19-L369 HydrophobicContact CG-CD1 3.75Å
20Q97.8Very high98.2Very high133 Ų13353 Ų5362%0.62126%0.258SS*.Hα-helixtrans-70.6-35.3-178.4-66.9-61.1-25.400113.1L18 S24L18-Q20 VanDerWaalsContact C-N 3.27Å; L18-Q20 PolarHBondContact O-N 3.46Å; L18-Q20 VanDerWaalsContact O-N 3.07Å; Q20-S24 WeakPolarHBondContact O-CB 3.31Å; Q20-S24 PolarHBondContact O-N 3.34Å; Q20-S24 PolarHBondContact O-OG 3.44Å
21Q97.8Very high98.2Very high100 Ų10055.6 Ų55.647%0.46727%0.272SS..Hα-helixtrans-71-42.2176.8-62.3-177.512.600111.1L18 S24 L25 F49L18-Q21 PolarHBondContact O-N 3.29Å; Q21-S24 PolarHBondContact O-N 3.14Å; Q21-L25 PolarHBondContact O-N 2.91Å; Q21-F49 HydrophobicContact CB-CE2 4.13Å
22L98.4Very high98.2Very high0 Ų059.3 Ų59.30%029%0.286CS..Hα-helixtrans-63.6-45.4176-70.3167.5000111.6I15 L18 S24 L25 S26 F49 E110 A113 A114 L369I15-L22 HydrophobicContact CG2-CD1 4.45Å; L18-L22 HydrophobicContact CB-CD1 3.86Å; L18-L22 HydrophobicContact CB-CG 4.15Å; L18-L22 PolarHBondContact O-N 2.98Å; L22-S24 VanDerWaalsContact C-N 3.31Å; L22-S24 PolarHBondContact O-N 3.14Å; L22-L25 WeakPolarHBondContact O-CB 3.48Å; L22-L25 PolarHBondContact O-N 2.81Å; L22-S26 PolarHBondContact O-N 3.06Å; L22-F49 HydrophobicContact CD2-CE1 4.33Å; L22-F49 HydrophobicContact CD2-CE2 4.38Å; L22-F49 HydrophobicContact CD2-CZ 3.66Å; L22-F49 HydrophobicContact CG-CZ 4.43Å; L22-E110 HydrophobicContact CB-CG 3.99Å; L22-E110 HydrophobicContact CD2-CG 4.44Å; L22-A113 HydrophobicContact CD2-CB 4.48Å; L22-A114 HydrophobicContact CD1-CB 3.58Å; L22-A114 HydrophobicContact CD2-CB 3.81Å; L22-A114 HydrophobicContact CG-CB 4.32Å; L22-L369 HydrophobicContact CD1-CD2 3.87Å
23H98.3Very high98.2Very high43 Ų4359.8 Ų59.820%0.19929%0.294CS..Hα-helixtrans-59.8-43.6174.2-176.343.6000111.6K19 S26 R27 Q365K19-H23 VanDerWaalsContact O-CB 3.32Å; K19-H23 WeakPolarHBondContact O-CB 3.44Å; K19-H23 PolarHBondContact O-N 2.87Å; H23-S26 PolarHBondContact O-N 3.35Å; H23-R27 VanDerWaalsContact O-CB 3.24Å; H23-R27 WeakPolarHBondContact O-CB 3.45Å; H23-R27 PolarHBondContact O-N 2.96Å; H23-Q365 HydrophobicContact CB-CG 4.44Å; H23-Q365 VanDerWaalsContact CB-OE1 3.23Å; H23-Q365 VanDerWaalsContact ND1-CG 3.25Å; H23-Q365 WeakPolarHBondContact ND1-CG 3.48Å; H23-Q365 PolarHBondContact ND1-NE2 2.89Å; H23-Q365 VanDerWaalsContact ND1-NE2 3.16Å; H23-Q365 PolarHBondContact ND1-OE1 3.26Å
24S98.1Very high98.1Very high71 Ų7154.6 Ų54.650%0.49727%0.27SS..Hα-helixtrans-63.4-41.3178.4-60.50000111.9Q20 Q21 L22 R27 D28Q20-S24 WeakPolarHBondContact O-CB 3.31Å; Q20-S24 PolarHBondContact O-N 3.34Å; Q20-S24 PolarHBondContact O-OG 3.44Å; Q21-S24 PolarHBondContact O-N 3.14Å; L22-S24 VanDerWaalsContact C-N 3.31Å; L22-S24 PolarHBondContact O-N 3.14Å; S24-R27 PolarHBondContact O-N 3.13Å; S24-D28 VanDerWaalsContact O-CB 3.27Å; S24-D28 WeakPolarHBondContact O-CB 3.35Å; S24-D28 PolarHBondContact O-N 3.44Å
25L98.4Very high98.1Very high9 Ų953 Ų535%0.04727%0.269CS..Hα-helixtrans-58.6-53.4173.5170.666.2000111.1Q21 L22 R27 D28 I29 A45 L46 F49 A113Q21-L25 PolarHBondContact O-N 2.91Å; L22-L25 WeakPolarHBondContact O-CB 3.48Å; L22-L25 PolarHBondContact O-N 2.81Å; L25-R27 VanDerWaalsContact C-N 3.28Å; L25-R27 PolarHBondContact O-N 3.19Å; L25-D28 PolarHBondContact O-N 3.35Å; L25-I29 HydrophobicContact CD1-CD1 4.08Å; L25-I29 HydrophobicContact CG-CD1 4.32Å; L25-I29 WeakPolarHBondContact O-CG1 3.19Å; L25-I29 PolarHBondContact O-N 3.37Å; L25-I29 VanDerWaalsContact O-N 3.1Å; L25-A45 HydrophobicContact CD1-CB 4.13Å; L25-L46 HydrophobicContact CD1-CD2 4Å; L25-L46 HydrophobicContact CD1-CG 4.19Å; L25-L46 HydrophobicContact CD2-CD2 3.79Å; L25-L46 HydrophobicContact CG-CD2 4.33Å; L25-F49 HydrophobicContact CB-CD2 4.23Å; L25-F49 HydrophobicContact CD1-CB 4.14Å; L25-F49 HydrophobicContact CD1-CG 4.42Å; L25-F49 HydrophobicContact CD2-CB 4.38Å; L25-F49 HydrophobicContact CD2-CD1 3.93Å; L25-F49 HydrophobicContact CD2-CD2 3.99Å; L25-F49 HydrophobicContact CD2-CE1 4.16Å; L25-F49 HydrophobicContact CD2-CE2 4.22Å; L25-F49 HydrophobicContact CD2-CG 3.84Å; L25-F49 HydrophobicContact CD2-CZ 4.32Å; L25-A113 HydrophobicContact CD2-CB 4.19Å
26S98.5Very high97.9Very high2 Ų254.1 Ų54.11%0.01428%0.278CS..Hα-helixtrans-57.4-42.1177.8-172.20000112.1L22 H23 W30 N106 E110L22-S26 PolarHBondContact O-N 3.06Å; H23-S26 PolarHBondContact O-N 3.35Å; S26-W30 VanDerWaalsContact O-CB 3.26Å; S26-W30 WeakPolarHBondContact O-CB 3.4Å; S26-W30 PolarHBondContact O-N 2.91Å; S26-N106 PolarHBondContact OG-ND2 3.45Å; S26-N106 VanDerWaalsContact OG-ND2 3.1Å; S26-N106 PolarHBondContact OG-O 2.92Å; S26-E110 WeakPolarHBondContact CB-OE2 3.43Å; S26-E110 PolarHBondContact OG-OE2 3.05Å
27R98.3Very high97.7Very high101 Ų10151.8 Ų51.838%0.38128%0.278SS..Hα-helixtrans-65.8-41.7178.2-167.473179.8149.411.8111.8H23 S24 L25 I29 W30 T31 G360H23-R27 VanDerWaalsContact O-CB 3.24Å; H23-R27 WeakPolarHBondContact O-CB 3.45Å; H23-R27 PolarHBondContact O-N 2.96Å; S24-R27 PolarHBondContact O-N 3.13Å; L25-R27 VanDerWaalsContact C-N 3.28Å; L25-R27 PolarHBondContact O-N 3.19Å; R27-I29 VanDerWaalsContact C-N 3.32Å; R27-I29 PolarHBondContact O-N 3.44Å; R27-W30 PolarHBondContact O-N 2.69Å; R27-T31 HydrophobicContact CG-CG2 4.41Å; R27-T31 WeakPolarHBondContact O-CG2 3.27Å; R27-T31 PolarHBondContact O-N 3.16Å; R27-T31 PolarHBondContact O-OG1 2.7Å; R27-T31 VanDerWaalsContact O-OG1 3.08Å; R27-G360 PolarHBondContact NH1-O 2.97Å
28D97.9Very high97.6Very high45 Ų4554 Ų5424%0.24128%0.28CS..Hα-helixtrans-67.2-32.4-178.9-164.934.9000112.6S24 L25 R32 R48S24-D28 VanDerWaalsContact O-CB 3.27Å; S24-D28 WeakPolarHBondContact O-CB 3.35Å; S24-D28 PolarHBondContact O-N 3.44Å; L25-D28 PolarHBondContact O-N 3.35Å; D28-R32 PolarHBondContact O-NE 3.16Å; D28-R32 PolarHBondContact O-NH2 3.43Å; D28-R32 IonicContact OD1-CZ 3.03Å; D28-R32 IonicContact OD1-NE 3.06Å; D28-R32 PolarHBondContact OD1-NE 2.88Å; D28-R32 IonicContact OD1-NH1 3.48Å; D28-R32 IonicContact OD1-NH2 2.78Å; D28-R32 PolarHBondContact OD1-NH2 2.79Å; D28-R32 IonicContact OD2-CZ 2.99Å; D28-R32 IonicContact OD2-NH2 3.52Å; D28-R32 PolarHBondContact OD2-NH2 2.71Å; D28-R48 IonicContact OD2-NH2 2.71Å; D28-R48 PolarHBondContact OD2-NH2 3.33Å
29I98.6Very high97.6Very high1 Ų153.8 Ų53.81%0.00528%0.278CS..Hα-helixtrans-71.6-51.6169.7-62.5171.7000109L25 R27 T31 R32 A42 L46 H101 N106 A109L25-I29 HydrophobicContact CD1-CD1 4.08Å; L25-I29 HydrophobicContact CG-CD1 4.32Å; L25-I29 WeakPolarHBondContact O-CG1 3.19Å; L25-I29 PolarHBondContact O-N 3.37Å; L25-I29 VanDerWaalsContact O-N 3.1Å; R27-I29 VanDerWaalsContact C-N 3.32Å; R27-I29 PolarHBondContact O-N 3.44Å; I29-T31 PolarHBondContact O-N 3.36Å; I29-R32 CarbonylContact O-C 3.56Å; I29-R32 PolarHBondContact O-N 3.38Å; I29-R32 VanDerWaalsContact O-N 3.14Å; I29-A42 HydrophobicContact CG1-CB 4.17Å; I29-A42 HydrophobicContact CG2-CB 4Å; I29-L46 HydrophobicContact CD1-CD1 4.2Å; I29-L46 HydrophobicContact CD1-CG 4.2Å; I29-H101 PolarHBondContact O-NE2 3.05Å; I29-N106 HydrophobicContact CB-CB 4.14Å; I29-N106 HydrophobicContact CG2-CB 3.87Å; I29-A109 HydrophobicContact CD1-CB 3.66Å
30W98.6Very high97.7Very high62 Ų6253.5 Ų53.524%0.23528%0.283CS..Hα-helixtrans-58.9-39.4-174.7-178.984.5000114.5S26 R27 R32 N106 A356 G360S26-W30 VanDerWaalsContact O-CB 3.26Å; S26-W30 WeakPolarHBondContact O-CB 3.4Å; S26-W30 PolarHBondContact O-N 2.91Å; R27-W30 PolarHBondContact O-N 2.69Å; W30-R32 VanDerWaalsContact C-N 3.27Å; W30-R32 PolarHBondContact O-N 3.3Å; W30-N106 HydrophobicContact CB-CB 3.96Å; W30-A356 PolarHBondContact NE1-O 2.88Å; W30-G360 VanDerWaalsContact CE2-CA 3.45Å
31T98.1Very high97.7Very high74 Ų7450.2 Ų50.245%0.45427%0.27SS..THydrogen-bonded Turntrans-75.7-12.3-17852.90000114.1R27 I29 P33R27-T31 HydrophobicContact CG-CG2 4.41Å; R27-T31 WeakPolarHBondContact O-CG2 3.27Å; R27-T31 PolarHBondContact O-N 3.16Å; R27-T31 PolarHBondContact O-OG1 2.7Å; R27-T31 VanDerWaalsContact O-OG1 3.08Å; I29-T31 PolarHBondContact O-N 3.36Å; T31-P33 VanDerWaalsContact C-CD 3.49Å
32R97.9Very high97.7Very high79 Ų7945.5 Ų45.530%0.29825%0.248SC..SBendtrans-129.367.2-178.9-66175.3-62.9161.48.8109.3D28 I29 W30 E34 N41D28-R32 PolarHBondContact O-NE 3.16Å; D28-R32 PolarHBondContact O-NH2 3.43Å; D28-R32 IonicContact OD1-CZ 3.03Å; D28-R32 IonicContact OD1-NE 3.06Å; D28-R32 PolarHBondContact OD1-NE 2.88Å; D28-R32 IonicContact OD1-NH1 3.48Å; D28-R32 IonicContact OD1-NH2 2.78Å; D28-R32 PolarHBondContact OD1-NH2 2.79Å; D28-R32 IonicContact OD2-CZ 2.99Å; D28-R32 IonicContact OD2-NH2 3.52Å; D28-R32 PolarHBondContact OD2-NH2 2.71Å; I29-R32 CarbonylContact O-C 3.56Å; I29-R32 PolarHBondContact O-N 3.38Å; I29-R32 VanDerWaalsContact O-N 3.14Å; W30-R32 VanDerWaalsContact C-N 3.27Å; W30-R32 PolarHBondContact O-N 3.3Å; R32-E34 PolarHBondContact O-N 2.75Å; R32-N41 PolarHBondContact NH1-OD1 2.92Å
33P97.8Very high97.7Very high67 Ų6745.5 Ų45.544%0.43525%0.248SC..  trans-63.4130.3-178.827.4-34.2000110.4T31 A95T31-P33 VanDerWaalsContact C-CD 3.49Å; P33-A95 HydrophobicContact CB-CB 3.51Å
34E98.3Very high97.8Very high26 Ų2646.8 Ų46.812%0.12126%0.256CS..  trans-126.9133.7178.4-71.6171.2135.500109.2R32 E38 E39 V40 N41 A42 D94 A95R32-E34 PolarHBondContact O-N 2.75Å; E34-E38 WeakPolarHBondContact CB-O 3.47Å; E34-E38 VanDerWaalsContact CD-O 3.3Å; E34-E39 HydrophobicContact CB-CB 4.23Å; E34-E39 HydrophobicContact CB-CG 4.46Å; E34-E39 VanDerWaalsContact OE2-CA 3.29Å; E34-E39 WeakPolarHBondContact OE2-CA 3.44Å; E34-V40 PolarHBondContact OE1-N 3.17Å; E34-V40 PolarHBondContact OE2-N 3.26Å; E34-V40 VanDerWaalsContact OE2-N 3.12Å; E34-N41 WeakPolarHBondContact OE1-CB 3.35Å; E34-N41 PolarHBondContact OE1-N 3.36Å; E34-N41 PolarHBondContact OE1-ND2 2.85Å; E34-N41 WeakPolarHBondContact OE2-CA 3.37Å; E34-N41 VanDerWaalsContact OE2-CB 3.31Å; E34-N41 WeakPolarHBondContact OE2-CB 3.19Å; E34-N41 PolarHBondContact OE2-N 3.27Å; E34-A42 PolarHBondContact OE2-N 3.22Å; E34-D94 CarbonylContact O-C 3.52Å; E34-A95 WeakPolarHBondContact O-CB 3.34Å; E34-A95 PolarHBondContact O-N 2.72Å
35V97.3Very high97.8Very high46 Ų4643.5 Ų43.528%0.27923%0.233SC..BIsolated β-bridgetrans-76.4166.2-175.7-640000112G37 E38 A95 P97V35-G37 PolarHBondContact O-N 3.29Å; V35-E38 HydrophobicContact CG2-CB 4.22Å; V35-E38 HydrophobicContact CG2-CG 4.19Å; V35-E38 PolarHBondContact O-N 3.11Å; V35-A95 WeakPolarHBondContact CA-O 3.34Å; V35-P97 HydrophobicContact CG1-CG 4.11Å
36A95.3Very high97.8Very high23 Ų2343 Ų4319%0.1923%0.231CC..THydrogen-bonded Turntrans-43.8119.9176.600000113.1E39 A140 A143A36-E39 VanDerWaalsContact CA-OE1 3.27Å; A36-E39 WeakPolarHBondContact CA-OE1 3.09Å; A36-A140 HydrophobicContact CB-CB 3.77Å; A36-A143 HydrophobicContact CB-CB 3.76Å
37G92.8Very high97.8Very high40 Ų4044 Ų4441%0.41224%0.237SC..THydrogen-bonded Turntrans86.4-3.5-179.900000115.6V35 E39V35-G37 PolarHBondContact O-N 3.29Å; G37-E39 WeakPolarHBondContact CA-OE2 3.36Å; G37-E39 PolarHBondContact N-OE1 2.83Å; G37-E39 PolarHBondContact N-OE2 3.45Å
38E96.9Very high97.7Very high129 Ų12944.7 Ų44.760%0.60324%0.239SC*.  trans-120.313.6-178.4-59.2-172.2177.500113E34 V35 V40E34-E38 WeakPolarHBondContact CB-O 3.47Å; E34-E38 VanDerWaalsContact CD-O 3.3Å; V35-E38 HydrophobicContact CG2-CB 4.22Å; V35-E38 HydrophobicContact CG2-CG 4.19Å; V35-E38 PolarHBondContact O-N 3.11Å; E38-V40 PolarHBondContact O-N 3.45Å
39E97.4Very high97.7Very high0 Ų043.2 Ų43.20%023%0.231CC..  trans-76.446.3-171-36.184.6158.700114.9E34 A36 G37 A42 H43 T67 Y93 D94 P139 A140E34-E39 HydrophobicContact CB-CB 4.23Å; E34-E39 HydrophobicContact CB-CG 4.46Å; E34-E39 VanDerWaalsContact OE2-CA 3.29Å; E34-E39 WeakPolarHBondContact OE2-CA 3.44Å; A36-E39 VanDerWaalsContact CA-OE1 3.27Å; A36-E39 WeakPolarHBondContact CA-OE1 3.09Å; G37-E39 WeakPolarHBondContact CA-OE2 3.36Å; G37-E39 PolarHBondContact N-OE1 2.83Å; G37-E39 PolarHBondContact N-OE2 3.45Å; E39-A42 HydrophobicContact CB-CB 4.37Å; E39-H43 WeakPolarHBondContact O-CB 3.41Å; E39-H43 PolarHBondContact O-N 3.05Å; E39-T67 WeakPolarHBondContact OE2-CB 3.32Å; E39-T67 PolarHBondContact OE2-OG1 2.96Å; E39-Y93 HydrophobicContact CB-CD2 3.67Å; E39-Y93 HydrophobicContact CB-CE2 3.92Å; E39-Y93 HydrophobicContact CG-CD2 4.19Å; E39-D94 HydrophobicContact CG-CB 3.7Å; E39-D94 WeakPolarHBondContact OE1-CB 3.34Å; E39-P139 WeakPolarHBondContact OE1-CB 3.49Å; E39-P139 WeakPolarHBondContact OE2-CB 3.29Å; E39-A140 WeakPolarHBondContact OE1-CA 3.12Å; E39-A140 PolarHBondContact OE1-N 2.85Å
40V98.4Very high97.7Very high72 Ų7243.2 Ų43.244%0.43623%0.231SC..Hα-helixtrans-66.5-47.4-173.4-178.20000112E34 E38 H43 D44 T67E34-V40 PolarHBondContact OE1-N 3.17Å; E34-V40 PolarHBondContact OE2-N 3.26Å; E34-V40 VanDerWaalsContact OE2-N 3.12Å; E38-V40 PolarHBondContact O-N 3.45Å; V40-H43 PolarHBondContact O-N 3.17Å; V40-D44 WeakPolarHBondContact O-CB 3.33Å; V40-D44 VanDerWaalsContact O-CG 3.22Å; V40-D44 PolarHBondContact O-N 3.31Å; V40-T67 HydrophobicContact CG2-CG2 4.1Å
41N98.4Very high97.5Very high65 Ų6543.5 Ų43.535%0.34824%0.242SC..Hα-helixtrans-64.1-42.3178.8-72.6-81.2000111.6R32 E34 D44 A45R32-N41 PolarHBondContact NH1-OD1 2.92Å; E34-N41 WeakPolarHBondContact OE1-CB 3.35Å; E34-N41 PolarHBondContact OE1-N 3.36Å; E34-N41 PolarHBondContact OE1-ND2 2.85Å; E34-N41 WeakPolarHBondContact OE2-CA 3.37Å; E34-N41 VanDerWaalsContact OE2-CB 3.31Å; E34-N41 WeakPolarHBondContact OE2-CB 3.19Å; E34-N41 PolarHBondContact OE2-N 3.27Å; N41-D44 PolarHBondContact O-N 3.29Å; N41-A45 WeakPolarHBondContact O-CB 3.35Å; N41-A45 PolarHBondContact O-N 3.43Å
42A98.5Very high97.4Very high1 Ų146.6 Ų46.61%0.00825%0.252CS..Hα-helixtrans-66.8-44.5178.700000112.2I29 E34 E39 A45 L46 Y93I29-A42 HydrophobicContact CG1-CB 4.17Å; I29-A42 HydrophobicContact CG2-CB 4Å; E34-A42 PolarHBondContact OE2-N 3.22Å; E39-A42 HydrophobicContact CB-CB 4.37Å; A42-A45 PolarHBondContact O-N 3.17Å; A42-L46 PolarHBondContact O-N 3.21Å; A42-L46 VanDerWaalsContact O-N 3.11Å; A42-Y93 HydrophobicContact CB-CD2 3.71Å; A42-Y93 HydrophobicContact CB-CG 3.96Å
43H98.7Very high96.8Very high0 Ų044.2 Ų44.20%024%0.244CC..Hα-helixtrans-54.2-53.5171.5163.1-88.9000111.2E39 V40 A45 L46 V47 H62 T67 A68 Y93E39-H43 WeakPolarHBondContact O-CB 3.41Å; E39-H43 PolarHBondContact O-N 3.05Å; V40-H43 PolarHBondContact O-N 3.17Å; H43-A45 VanDerWaalsContact C-N 3.29Å; H43-A45 PolarHBondContact O-N 3.03Å; H43-L46 PolarHBondContact O-N 3.01Å; H43-L46 VanDerWaalsContact O-N 3.17Å; H43-V47 WeakPolarHBondContact O-CG2 3.46Å; H43-V47 PolarHBondContact O-N 3.45Å; H43-H62 AromaticContact CE1-CE1 3.42Å; H43-H62 PolarHBondContact CE1-CE1 2.82Å; H43-H62 VanDerWaalsContact CE1-CE1 3.42Å; H43-H62 AromaticContact CE1-ND1 3.62Å; H43-H62 AromaticContact CE1-NE2 3.9Å; H43-H62 PolarHBondContact NE2-N 3.18Å; H43-H62 AromaticContact NE2-ND1 3.9Å; H43-T67 PolarHBondContact CD2-O 2.98Å; H43-A68 PolarHBondContact CD2-O 3.4Å; H43-A68 PolarHBondContact NE2-O 2.99Å; H43-Y93 HydrophobicContact CB-CE2 4.42Å
44D98.6Very high96Very high69 Ų6943.2 Ų43.237%0.36924%0.235SC..Hα-helixtrans-63.9-35.7-176.6-74.3-2.4000111.9V40 N41 R48V40-D44 WeakPolarHBondContact O-CB 3.33Å; V40-D44 VanDerWaalsContact O-CG 3.22Å; V40-D44 PolarHBondContact O-N 3.31Å; N41-D44 PolarHBondContact O-N 3.29Å; D44-R48 WeakPolarHBondContact O-CB 3.5Å; D44-R48 PolarHBondContact O-N 3.42Å
45A98.5Very high95.1Very high2 Ų254.4 Ų54.42%0.01728%0.276CS..Hα-helixtrans-63.1-44.217500000111.8L25 N41 A42 H43 F49L25-A45 HydrophobicContact CD1-CB 4.13Å; N41-A45 WeakPolarHBondContact O-CB 3.35Å; N41-A45 PolarHBondContact O-N 3.43Å; A42-A45 PolarHBondContact O-N 3.17Å; H43-A45 VanDerWaalsContact C-N 3.29Å; H43-A45 PolarHBondContact O-N 3.03Å; A45-F49 WeakPolarHBondContact O-CB 3.4Å; A45-F49 PolarHBondContact O-N 2.92Å
46L98.6Very high94.5Very high0 Ų054.7 Ų54.70%028%0.283CS..Hα-helixtrans-70-43.5178.1-76.5161.5000112.5L25 I29 A42 H43 R48 F49 F50 F69 C91 Y93 A109L25-L46 HydrophobicContact CD1-CD2 4Å; L25-L46 HydrophobicContact CD1-CG 4.19Å; L25-L46 HydrophobicContact CD2-CD2 3.79Å; L25-L46 HydrophobicContact CG-CD2 4.33Å; I29-L46 HydrophobicContact CD1-CD1 4.2Å; I29-L46 HydrophobicContact CD1-CG 4.2Å; A42-L46 PolarHBondContact O-N 3.21Å; A42-L46 VanDerWaalsContact O-N 3.11Å; H43-L46 PolarHBondContact O-N 3.01Å; H43-L46 VanDerWaalsContact O-N 3.17Å; L46-R48 VanDerWaalsContact C-N 3.34Å; L46-R48 PolarHBondContact O-N 2.95Å; L46-F49 WeakPolarHBondContact O-CB 3.48Å; L46-F49 PolarHBondContact O-N 3.1Å; L46-F50 WeakPolarHBondContact O-CD2 3.2Å; L46-F50 PolarHBondContact O-N 3.12Å; L46-F69 HydrophobicContact CB-CD1 4.21Å; L46-F69 HydrophobicContact CB-CE1 3.49Å; L46-F69 VanDerWaalsContact CB-CE1 3.49Å; L46-F69 HydrophobicContact CB-CZ 3.74Å; L46-F69 HydrophobicContact CD1-CE1 3.75Å; L46-F69 HydrophobicContact CD1-CZ 4.3Å; L46-F69 HydrophobicContact CD2-CZ 4.43Å; L46-F69 HydrophobicContact CG-CE1 4.13Å; L46-F69 HydrophobicContact CG-CZ 4.38Å; L46-C91 HydrophobicContact CD1-CB 4.32Å; L46-Y93 HydrophobicContact CD1-CD1 3.25Å; L46-Y93 HydrophobicContact CD1-CE1 3.57Å; L46-Y93 HydrophobicContact CD1-CG 3.97Å; L46-A109 HydrophobicContact CD1-CB 4.04Å; L46-A109 HydrophobicContact CD2-CB 4.31Å
47V98.4Very high94.4Very high23 Ų2354.4 Ų54.414%0.13928%0.277CS..Hα-helixtrans-58.7-47.6174.8167.40000110.5H43 S51 V59 F69H43-V47 WeakPolarHBondContact O-CG2 3.46Å; H43-V47 PolarHBondContact O-N 3.45Å; V47-S51 VanDerWaalsContact O-CB 3.28Å; V47-S51 WeakPolarHBondContact O-CB 3.5Å; V47-S51 PolarHBondContact O-N 3.34Å; V47-S51 PolarHBondContact O-OG 3.33Å; V47-V59 HydrophobicContact CB-CG1 4.47Å; V47-V59 HydrophobicContact CG1-CG1 4.02Å; V47-V59 HydrophobicContact CG2-CG1 4.44Å; V47-F69 HydrophobicContact CG2-CB 3.63Å; V47-F69 HydrophobicContact CG2-CD1 4.4Å; V47-F69 HydrophobicContact CG2-CD2 4.5Å; V47-F69 HydrophobicContact CG2-CG 3.94Å
48R97.8Very high94.6Very high114 Ų11457 Ų5743%0.4329%0.285SS..Hα-helixtrans-60.6-48.2175.5-178.8175.565.1-122-0.2110.9D28 D44 L46 F50 S51 E52D28-R48 IonicContact OD2-NH2 2.71Å; D28-R48 PolarHBondContact OD2-NH2 3.33Å; D44-R48 WeakPolarHBondContact O-CB 3.5Å; D44-R48 PolarHBondContact O-N 3.42Å; L46-R48 VanDerWaalsContact C-N 3.34Å; L46-R48 PolarHBondContact O-N 2.95Å; R48-F50 PolarHBondContact O-N 3.44Å; R48-S51 PolarHBondContact O-N 3.39Å; R48-E52 HydrophobicContact CG-CG 4.27Å; R48-E52 VanDerWaalsContact CG-OE1 3.23Å; R48-E52 WeakPolarHBondContact CG-OE1 3.26Å; R48-E52 WeakPolarHBondContact O-CB 3.41Å; R48-E52 WeakPolarHBondContact O-CG 3.48Å; R48-E52 PolarHBondContact O-N 3.26Å
49F97.9Very high94.6Very high15 Ų1552.7 Ų52.77%0.06627%0.267CS..Hα-helixtrans-54-50.5-179.1177.2-96.8000111.9Q21 L22 L25 A45 L46 E52 Q53 A113 L117Q21-F49 HydrophobicContact CB-CE2 4.13Å; L22-F49 HydrophobicContact CD2-CE1 4.33Å; L22-F49 HydrophobicContact CD2-CE2 4.38Å; L22-F49 HydrophobicContact CD2-CZ 3.66Å; L22-F49 HydrophobicContact CG-CZ 4.43Å; L25-F49 HydrophobicContact CB-CD2 4.23Å; L25-F49 HydrophobicContact CD1-CB 4.14Å; L25-F49 HydrophobicContact CD1-CG 4.42Å; L25-F49 HydrophobicContact CD2-CB 4.38Å; L25-F49 HydrophobicContact CD2-CD1 3.93Å; L25-F49 HydrophobicContact CD2-CD2 3.99Å; L25-F49 HydrophobicContact CD2-CE1 4.16Å; L25-F49 HydrophobicContact CD2-CE2 4.22Å; L25-F49 HydrophobicContact CD2-CG 3.84Å; L25-F49 HydrophobicContact CD2-CZ 4.32Å; A45-F49 WeakPolarHBondContact O-CB 3.4Å; A45-F49 PolarHBondContact O-N 2.92Å; L46-F49 WeakPolarHBondContact O-CB 3.48Å; L46-F49 PolarHBondContact O-N 3.1Å; F49-E52 PolarHBondContact O-N 3.31Å; F49-Q53 HydrophobicContact CE1-CG 4.37Å; F49-Q53 WeakPolarHBondContact O-CG 3.25Å; F49-Q53 PolarHBondContact O-N 3.08Å; F49-Q53 PolarHBondContact O-NE2 2.86Å; F49-A113 HydrophobicContact CD1-CB 4.42Å; F49-A113 HydrophobicContact CE1-CB 3.96Å; F49-L117 HydrophobicContact CE1-CD1 3.56Å; F49-L117 HydrophobicContact CZ-CD1 3.69Å
50F97.3Very high94.6Very high0 Ų057 Ų570%029%0.288CS..Hα-helixtrans-69.7-37.4178.2-81.5-74.3000113.5L46 R48 E52 Q53 W57 V59 F69 A71 A113 L117 V135L46-F50 WeakPolarHBondContact O-CD2 3.2Å; L46-F50 PolarHBondContact O-N 3.12Å; R48-F50 PolarHBondContact O-N 3.44Å; F50-E52 PolarHBondContact O-N 3.47Å; F50-Q53 PolarHBondContact O-N 3.19Å; F50-W57 HydrophobicContact CD1-CD2 4.01Å; F50-W57 HydrophobicContact CD1-CE3 4.02Å; F50-W57 HydrophobicContact CD1-CH2 4.47Å; F50-W57 HydrophobicContact CD1-CZ2 4.47Å; F50-W57 HydrophobicContact CD1-CZ3 4.25Å; F50-W57 HydrophobicContact CE1-CE3 4.37Å; F50-W57 HydrophobicContact CE1-CH2 4.08Å; F50-W57 HydrophobicContact CE1-CZ2 4.26Å; F50-W57 HydrophobicContact CE1-CZ3 4.14Å; F50-V59 HydrophobicContact CB-CG2 3.83Å; F50-F69 AromaticContact CD2-CE2 3.9Å; F50-F69 HydrophobicContact CD2-CE2 3.9Å; F50-F69 HydrophobicContact CD2-CZ 4.29Å; F50-F69 HydrophobicContact CE2-CE2 4.05Å; F50-F69 HydrophobicContact CE2-CZ 4.16Å; F50-A71 HydrophobicContact CB-CB 4.02Å; F50-A71 HydrophobicContact CD1-CB 4.08Å; F50-A71 HydrophobicContact CD2-CB 4.15Å; F50-A71 HydrophobicContact CG-CB 3.82Å; F50-A113 HydrophobicContact CE2-CB 4.04Å; F50-A113 HydrophobicContact CZ-CB 3.84Å; F50-L117 HydrophobicContact CE1-CD2 4.43Å; F50-L117 HydrophobicContact CE1-CG 4.44Å; F50-V135 HydrophobicContact CE1-CB 4.43Å; F50-V135 HydrophobicContact CE1-CG2 3.83Å; F50-V135 HydrophobicContact CE2-CB 4.18Å; F50-V135 HydrophobicContact CE2-CG1 3.73Å; F50-V135 HydrophobicContact CE2-CG2 4.3Å; F50-V135 HydrophobicContact CZ-CB 3.86Å; F50-V135 HydrophobicContact CZ-CG1 3.72Å; F50-V135 HydrophobicContact CZ-CG2 3.49Å; F50-V135 VanDerWaalsContact CZ-CG2 3.49Å
51S95.8Very high94.6Very high68 Ų6856.4 Ų56.448%0.47629%0.286SS..Hα-helixtrans-63.8-26.8177.9-59.40000112.6V47 R48V47-S51 VanDerWaalsContact O-CB 3.28Å; V47-S51 WeakPolarHBondContact O-CB 3.5Å; V47-S51 PolarHBondContact O-N 3.34Å; V47-S51 PolarHBondContact O-OG 3.33Å; R48-S51 PolarHBondContact O-N 3.39Å
52E94Very high94.6Very high140 Ų14058.5 Ų58.565%0.65429%0.294SS*.Hα-helixtrans-91.7-13.5-179.6-70.3176175.100114.1R48 F49 F50R48-E52 HydrophobicContact CG-CG 4.27Å; R48-E52 VanDerWaalsContact CG-OE1 3.23Å; R48-E52 WeakPolarHBondContact CG-OE1 3.26Å; R48-E52 WeakPolarHBondContact O-CB 3.41Å; R48-E52 WeakPolarHBondContact O-CG 3.48Å; R48-E52 PolarHBondContact O-N 3.26Å; F49-E52 PolarHBondContact O-N 3.31Å; F50-E52 PolarHBondContact O-N 3.47Å
53Q87.1Confident94.5Very high28 Ų2860 Ų6013%0.13130%0.3CS..Hα-helixtrans-63.3-60.1-176.5-72.5-54.4-56.200112.8F49 F50 L117F49-Q53 HydrophobicContact CE1-CG 4.37Å; F49-Q53 WeakPolarHBondContact O-CG 3.25Å; F49-Q53 PolarHBondContact O-N 3.08Å; F49-Q53 PolarHBondContact O-NE2 2.86Å; F50-Q53 PolarHBondContact O-N 3.19Å; Q53-L117 HydrophobicContact CB-CD2 4.26Å; Q53-L117 HydrophobicContact CG-CD1 3.92Å; Q53-L117 HydrophobicContact CG-CD2 3.8Å
54D80.1Confident94.5Very high47 Ų4765.2 Ų65.225%0.25132%0.324SS..  trans-161.4163.4170.76249.4000110.2A56 W57 K120D54-A56 PolarHBondContact O-N 3.31Å; D54-A56 WeakPolarHBondContact OD1-CA 3.49Å; D54-A56 WeakPolarHBondContact OD1-CB 3.47Å; D54-A56 PolarHBondContact OD1-N 3.33Å; D54-W57 PolarHBondContact O-N 2.88Å; D54-K120 WeakPolarHBondContact OD2-CE 3.37Å; D54-K120 IonicContact OD2-NZ 2.6Å; D54-K120 PolarHBondContact OD2-NZ 3.48Å
55R78.5Confident94.4Very high261 Ų26163.7 Ų63.799%0.98532%0.316SS*.THydrogen-bonded Turntrans-69.82.2-179.2-66.3-174.7177.1-178.3-1.1114.1
56A85.7Confident94.4Very high52 Ų5268.2 Ų68.243%0.4335%0.345SS..THydrogen-bonded Turntrans-91.2-13.9-18000000112.9D54D54-A56 PolarHBondContact O-N 3.31Å; D54-A56 WeakPolarHBondContact OD1-CA 3.49Å; D54-A56 WeakPolarHBondContact OD1-CB 3.47Å; D54-A56 PolarHBondContact OD1-N 3.33Å
57W94.1Very high94.4Very high17 Ų1768.6 Ų68.66%0.06435%0.347CS..  trans-78.6129.7170.8-70.590.2000111.1F50 D54 V59 A71 W73 A116 L117 K120 I133 V135F50-W57 HydrophobicContact CD1-CD2 4.01Å; F50-W57 HydrophobicContact CD1-CE3 4.02Å; F50-W57 HydrophobicContact CD1-CH2 4.47Å; F50-W57 HydrophobicContact CD1-CZ2 4.47Å; F50-W57 HydrophobicContact CD1-CZ3 4.25Å; F50-W57 HydrophobicContact CE1-CE3 4.37Å; F50-W57 HydrophobicContact CE1-CH2 4.08Å; F50-W57 HydrophobicContact CE1-CZ2 4.26Å; F50-W57 HydrophobicContact CE1-CZ3 4.14Å; D54-W57 PolarHBondContact O-N 2.88Å; W57-V59 HydrophobicContact CB-CG2 4.29Å; W57-A71 HydrophobicContact CE3-CB 3.99Å; W57-A71 HydrophobicContact CZ3-CB 4.35Å; W57-W73 HydrophobicContact CD2-CB 3.77Å; W57-W73 HydrophobicContact CE3-CB 3.68Å; W57-W73 HydrophobicContact CG-CB 4.46Å; W57-W73 HydrophobicContact CH2-CB 3.87Å; W57-W73 HydrophobicContact CZ2-CB 3.94Å; W57-W73 HydrophobicContact CZ3-CB 3.75Å; W57-A116 HydrophobicContact CH2-CB 4.21Å; W57-L117 HydrophobicContact CZ2-CD2 3.72Å; W57-K120 HydrophobicContact CZ2-CB 4.41Å; W57-K120 HydrophobicContact CZ2-CD 3.84Å; W57-I133 HydrophobicContact CH2-CB 4.4Å; W57-I133 HydrophobicContact CH2-CG2 3.97Å; W57-V135 HydrophobicContact CH2-CG2 4.35Å; W57-V135 HydrophobicContact CZ3-CG2 4.22Å
58T95.6Very high94.4Very high95 Ų9567.5 Ų67.558%0.58334%0.34SS*.EExtended strand (participates in β ladder)trans-96.5113.2166.5-57.80000107.9A71 S72T58-A71 CarbonylContact O-C 3.59Å; T58-A71 WeakPolarHBondContact O-CA 3.35Å; T58-S72 PolarHBondContact N-O 3.32Å; T58-S72 PolarHBondContact O-N 2.94Å
59V97.4Very high94.4Very high38 Ų3862.1 Ų62.123%0.2332%0.32CS..EExtended strand (participates in β ladder)trans-109.6123.4-177.4-172.40000109.6V47 F50 W57 A71V47-V59 HydrophobicContact CB-CG1 4.47Å; V47-V59 HydrophobicContact CG1-CG1 4.02Å; V47-V59 HydrophobicContact CG2-CG1 4.44Å; F50-V59 HydrophobicContact CB-CG2 3.83Å; W57-V59 HydrophobicContact CB-CG2 4.29Å; V59-A71 HydrophobicContact CG2-CB 4.11Å
60Q97.9Very high94.4Very high90 Ų9062.1 Ų62.142%0.42132%0.32SS..EExtended strand (participates in β ladder)trans-108.4105.9172.2-59.1178.2-70.400107.4Y63 F69 R70Q60-Y63 HydrophobicContact CB-CD2 4.06Å; Q60-F69 CarbonylContact O-C 3.5Å; Q60-F69 VanDerWaalsContact O-CA 3.32Å; Q60-F69 WeakPolarHBondContact O-CA 3.39Å; Q60-F69 WeakPolarHBondContact O-CB 3.5Å; Q60-R70 HydrophobicContact CB-CB 4.37Å; Q60-R70 PolarHBondContact N-O 3.43Å; Q60-R70 PolarHBondContact O-N 2.81Å
61S97.8Very high94.5Very high59 Ų5962.1 Ų62.141%0.41332%0.32SS..EExtended strand (participates in β ladder)trans-75.9157.1169.958.10000110.8Y63S61-Y63 VanDerWaalsContact C-N 3.25Å; S61-Y63 PolarHBondContact O-N 3.49Å
62H97.8Very high94.5Very high110 Ų11059.9 Ų59.951%0.50930%0.304SS..SBendtrans5244.8-179.7-45.6-66.8000112.4H43 E64 L65 P66 A68H43-H62 AromaticContact CE1-CE1 3.42Å; H43-H62 PolarHBondContact CE1-CE1 2.82Å; H43-H62 VanDerWaalsContact CE1-CE1 3.42Å; H43-H62 AromaticContact CE1-ND1 3.62Å; H43-H62 AromaticContact CE1-NE2 3.9Å; H43-H62 PolarHBondContact NE2-N 3.18Å; H43-H62 AromaticContact NE2-ND1 3.9Å; H62-E64 PolarHBondContact O-N 2.86Å; H62-L65 CarbonylContact C-O 3.59Å; H62-L65 VanDerWaalsContact C-O 3.3Å; H62-L65 WeakPolarHBondContact CA-O 3.39Å; H62-P66 PolarHBondContact ND1-O 3.09Å; H62-A68 CarbonylContact C-O 3.42Å; H62-A68 WeakPolarHBondContact CA-O 3.39Å; H62-A68 PolarHBondContact N-O 3.03Å
63Y97.6Very high94.6Very high33 Ų3353.8 Ų53.813%0.12928%0.275CS..  trans-78.7105-174.3-177-100.3000110.3Q60 S61 L65 A68 R70 A155Q60-Y63 HydrophobicContact CB-CD2 4.06Å; S61-Y63 VanDerWaalsContact C-N 3.25Å; S61-Y63 PolarHBondContact O-N 3.49Å; Y63-L65 PolarHBondContact O-N 2.75Å; Y63-A68 PolarHBondContact N-O 3.44Å; Y63-A68 VanDerWaalsContact O-CB 3.3Å; Y63-A68 WeakPolarHBondContact O-CB 3.26Å; Y63-R70 HydrophobicContact CD1-CB 3.78Å; Y63-R70 HydrophobicContact CD2-CB 3.85Å; Y63-R70 HydrophobicContact CE1-CB 4.19Å; Y63-R70 HydrophobicContact CE2-CB 4.24Å; Y63-R70 HydrophobicContact CG-CB 3.6Å; Y63-R70 PolarHBondContact OH-NH1 3.5Å; Y63-A155 HydrophobicContact CD1-CB 4.46Å; Y63-A155 HydrophobicContact CE1-CB 3.7Å
64E97.5Very high94.5Very high109 Ų10953.4 Ų53.451%0.50928%0.279SS..SBendtrans64.7-32.7-176.8-50.2-58.5156.200115.4H62 L150 A153H62-E64 PolarHBondContact O-N 2.86Å; E64-L150 HydrophobicContact CB-CD2 3.94Å; E64-A153 HydrophobicContact CB-CB 3.64Å; E64-A153 HydrophobicContact CG-CB 3.66Å
65L97.4Very high94.1Very high36 Ų3651.4 Ų51.419%0.18827%0.268CS..SBendtrans-122.1153.3173.5-59176.7000111.9H62 Y63 T67 A68 P139 D149 L150H62-L65 CarbonylContact C-O 3.59Å; H62-L65 VanDerWaalsContact C-O 3.3Å; H62-L65 WeakPolarHBondContact CA-O 3.39Å; Y63-L65 PolarHBondContact O-N 2.75Å; L65-T67 VanDerWaalsContact C-N 3.26Å; L65-T67 PolarHBondContact O-N 2.77Å; L65-A68 HydrophobicContact CB-CB 3.74Å; L65-A68 HydrophobicContact CD1-CB 4.48Å; L65-A68 HydrophobicContact CG-CB 4.44Å; L65-A68 PolarHBondContact O-N 2.72Å; L65-P139 HydrophobicContact CD1-CG 3.97Å; L65-D149 HydrophobicContact CD1-CB 4.08Å; L65-D149 HydrophobicContact CD2-CB 3.9Å; L65-D149 HydrophobicContact CG-CB 4.46Å; L65-L150 HydrophobicContact CD1-CD1 4.48Å; L65-L150 HydrophobicContact CD1-CD2 4Å; L65-L150 HydrophobicContact CD1-CG 3.79Å; L65-L150 HydrophobicContact CG-CD2 3.97Å; L65-L150 HydrophobicContact CG-CG 4.3Å
66P97.8Very high93.2Very high98 Ų9845.1 Ų45.164%0.63626%0.259SS*.THydrogen-bonded Turntrans-57.3-32.9-177.9-26.535.2000114.7H62H62-P66 PolarHBondContact ND1-O 3.09Å
67T98Very high91.5Very high7 Ų745.2 Ų45.24%0.04326%0.264CS..THydrogen-bonded Turntrans-116.116.2-179.551.50000112.4E39 V40 H43 L65 Y93 P139E39-T67 WeakPolarHBondContact OE2-CB 3.32Å; E39-T67 PolarHBondContact OE2-OG1 2.96Å; V40-T67 HydrophobicContact CG2-CG2 4.1Å; H43-T67 PolarHBondContact CD2-O 2.98Å; L65-T67 VanDerWaalsContact C-N 3.26Å; L65-T67 PolarHBondContact O-N 2.77Å; T67-Y93 WeakPolarHBondContact O-CE2 3.48Å; T67-Y93 PolarHBondContact O-OH 2.81Å; T67-P139 VanDerWaalsContact OG1-CB 3.27Å; T67-P139 WeakPolarHBondContact OG1-CB 3.13Å
68A98.5Very high89.5Confident0 Ų046 Ų460%027%0.271CS..  trans-95.1155.6171.300000111.6H43 H62 Y63 L65 G137 P139 L150H43-A68 PolarHBondContact CD2-O 3.4Å; H43-A68 PolarHBondContact NE2-O 2.99Å; H62-A68 CarbonylContact C-O 3.42Å; H62-A68 WeakPolarHBondContact CA-O 3.39Å; H62-A68 PolarHBondContact N-O 3.03Å; Y63-A68 PolarHBondContact N-O 3.44Å; Y63-A68 VanDerWaalsContact O-CB 3.3Å; Y63-A68 WeakPolarHBondContact O-CB 3.26Å; L65-A68 HydrophobicContact CB-CB 3.74Å; L65-A68 HydrophobicContact CD1-CB 4.48Å; L65-A68 HydrophobicContact CG-CB 4.44Å; L65-A68 PolarHBondContact O-N 2.72Å; A68-G137 WeakPolarHBondContact CA-O 3.42Å; A68-G137 WeakPolarHBondContact CB-O 3.48Å; A68-P139 HydrophobicContact CB-CG 4.22Å; A68-L150 HydrophobicContact CB-CD1 4.3Å; A68-L150 HydrophobicContact CB-CD2 3.95Å
69F98.7Very high87Confident1 Ų146.6 Ų46.60%0.00429%0.286CS..EExtended strand (participates in β ladder)trans-141.6159.8172.475.9-87.1000111.4L46 V47 F50 Q60 A71 Y93 V135 L136 G137L46-F69 HydrophobicContact CB-CD1 4.21Å; L46-F69 HydrophobicContact CB-CE1 3.49Å; L46-F69 VanDerWaalsContact CB-CE1 3.49Å; L46-F69 HydrophobicContact CB-CZ 3.74Å; L46-F69 HydrophobicContact CD1-CE1 3.75Å; L46-F69 HydrophobicContact CD1-CZ 4.3Å; L46-F69 HydrophobicContact CD2-CZ 4.43Å; L46-F69 HydrophobicContact CG-CE1 4.13Å; L46-F69 HydrophobicContact CG-CZ 4.38Å; V47-F69 HydrophobicContact CG2-CB 3.63Å; V47-F69 HydrophobicContact CG2-CD1 4.4Å; V47-F69 HydrophobicContact CG2-CD2 4.5Å; V47-F69 HydrophobicContact CG2-CG 3.94Å; F50-F69 AromaticContact CD2-CE2 3.9Å; F50-F69 HydrophobicContact CD2-CE2 3.9Å; F50-F69 HydrophobicContact CD2-CZ 4.29Å; F50-F69 HydrophobicContact CE2-CE2 4.05Å; F50-F69 HydrophobicContact CE2-CZ 4.16Å; Q60-F69 CarbonylContact O-C 3.5Å; Q60-F69 VanDerWaalsContact O-CA 3.32Å; Q60-F69 WeakPolarHBondContact O-CA 3.39Å; Q60-F69 WeakPolarHBondContact O-CB 3.5Å; F69-A71 HydrophobicContact CD2-CB 4.29Å; F69-A71 HydrophobicContact CE2-CB 4.11Å; F69-Y93 HydrophobicContact CE1-CE1 4.06Å; F69-V135 HydrophobicContact CE2-CB 4.49Å; F69-V135 HydrophobicContact CE2-CG1 4Å; F69-V135 HydrophobicContact CZ-CG1 4Å; F69-L136 WeakPolarHBondContact O-CA 3.3Å; F69-G137 VanDerWaalsContact CD1-CA 3.49Å; F69-G137 PolarHBondContact O-N 2.63Å
70R98.6Very high84.8Confident16 Ų1649.1 Ų49.16%0.0632%0.319CS..EExtended strand (participates in β ladder)trans-127.2118.6171.2179.6175-176.314115.1109.8Q60 Y63 S72 T134 V135 L136 A155 D158Q60-R70 HydrophobicContact CB-CB 4.37Å; Q60-R70 PolarHBondContact N-O 3.43Å; Q60-R70 PolarHBondContact O-N 2.81Å; Y63-R70 HydrophobicContact CD1-CB 3.78Å; Y63-R70 HydrophobicContact CD2-CB 3.85Å; Y63-R70 HydrophobicContact CE1-CB 4.19Å; Y63-R70 HydrophobicContact CE2-CB 4.24Å; Y63-R70 HydrophobicContact CG-CB 3.6Å; Y63-R70 PolarHBondContact OH-NH1 3.5Å; R70-S72 PolarHBondContact NE-OG 3.06Å; R70-T134 HydrophobicContact CG-CG2 4.03Å; R70-V135 WeakPolarHBondContact CA-O 3.31Å; R70-L136 HydrophobicContact CB-CD2 3.97Å; R70-L136 HydrophobicContact CG-CD2 3.88Å; R70-A155 PolarHBondContact NH1-O 2.97Å; R70-D158 IonicContact CZ-OD1 2.65Å; R70-D158 IonicContact CZ-OD2 2.71Å; R70-D158 IonicContact NH1-OD1 2.59Å; R70-D158 PolarHBondContact NH1-OD1 3.46Å; R70-D158 IonicContact NH1-OD2 3.5Å; R70-D158 IonicContact NH2-OD1 3.53Å; R70-D158 PolarHBondContact NH2-OD1 3.19Å; R70-D158 IonicContact NH2-OD2 3.77Å; R70-D158 PolarHBondContact NH2-OD2 2.92Å
71A98.2Very high82.8Confident0 Ų049.2 Ų49.20%032%0.318CS..EExtended strand (participates in β ladder)trans-110.7123170.200000109.5F50 W57 T58 V59 F69 T134 V135F50-A71 HydrophobicContact CB-CB 4.02Å; F50-A71 HydrophobicContact CD1-CB 4.08Å; F50-A71 HydrophobicContact CD2-CB 4.15Å; F50-A71 HydrophobicContact CG-CB 3.82Å; W57-A71 HydrophobicContact CE3-CB 3.99Å; W57-A71 HydrophobicContact CZ3-CB 4.35Å; T58-A71 CarbonylContact O-C 3.59Å; T58-A71 WeakPolarHBondContact O-CA 3.35Å; V59-A71 HydrophobicContact CG2-CB 4.11Å; F69-A71 HydrophobicContact CD2-CB 4.29Å; F69-A71 HydrophobicContact CE2-CB 4.11Å; A71-T134 CarbonylContact O-C 3.5Å; A71-T134 WeakPolarHBondContact O-CA 3.13Å; A71-V135 HydrophobicContact CB-CB 4.29Å; A71-V135 PolarHBondContact N-O 3.45Å; A71-V135 PolarHBondContact O-N 3.38Å
72S96.7Very high81Confident21 Ų2151.2 Ų51.215%0.14733%0.33CS..EExtended strand (participates in β ladder)trans-123.2136.9-178.1-65.70000111.5T58 R70 I133T58-S72 PolarHBondContact N-O 3.32Å; T58-S72 PolarHBondContact O-N 2.94Å; R70-S72 PolarHBondContact NE-OG 3.06Å; S72-I133 CarbonylContact C-O 3.6Å; S72-I133 WeakPolarHBondContact CA-O 3.14Å
73W95Very high80.1Confident12 Ų1253.5 Ų53.55%0.04533%0.334CS..EExtended strand (participates in β ladder)trans-128.8148170.7176.188.8000109W57 K120 V123 E124 Q132 I133W57-W73 HydrophobicContact CD2-CB 3.77Å; W57-W73 HydrophobicContact CE3-CB 3.68Å; W57-W73 HydrophobicContact CG-CB 4.46Å; W57-W73 HydrophobicContact CH2-CB 3.87Å; W57-W73 HydrophobicContact CZ2-CB 3.94Å; W57-W73 HydrophobicContact CZ3-CB 3.75Å; W73-K120 VanDerWaalsContact CD1-CE 3.45Å; W73-K120 HydrophobicContact CD2-CD 4.02Å; W73-K120 HydrophobicContact CD2-CG 3.9Å; W73-K120 HydrophobicContact CE3-CG 4.19Å; W73-K120 HydrophobicContact CG-CD 3.98Å; W73-K120 HydrophobicContact CG-CG 4.39Å; W73-K120 HydrophobicContact CH2-CG 4.24Å; W73-K120 HydrophobicContact CZ2-CG 3.98Å; W73-K120 HydrophobicContact CZ3-CG 4.36Å; W73-V123 HydrophobicContact CH2-CB 4.22Å; W73-V123 HydrophobicContact CH2-CG1 3.86Å; W73-V123 HydrophobicContact CZ3-CB 4.19Å; W73-V123 HydrophobicContact CZ3-CG1 3.91Å; W73-E124 HydrophobicContact CH2-CG 4.08Å; W73-E124 HydrophobicContact CZ2-CG 3.83Å; W73-Q132 CarbonylContact O-C 3.59Å; W73-Q132 WeakPolarHBondContact O-CA 3.28Å; W73-Q132 WeakPolarHBondContact O-CG 3.39Å; W73-I133 HydrophobicContact CE3-CB 4.37Å; W73-I133 HydrophobicContact CE3-CD1 3.74Å; W73-I133 HydrophobicContact CE3-CG1 3.98Å; W73-I133 HydrophobicContact CZ3-CD1 3.96Å; W73-I133 HydrophobicContact CZ3-CG1 4.37Å; W73-I133 PolarHBondContact N-O 2.7Å; W73-I133 PolarHBondContact O-N 3.01Å
74G86.6Confident79.6Confident20 Ų2055.1 Ų55.121%0.20634%0.34CS..EExtended strand (participates in β ladder)trans-146.7148.2174.100000112.6
75S71.6Confident79.3Confident4 Ų451 Ų513%0.02832%0.321CS..  trans-60141.3-176.161.10000112.3R84 L129 V131S75-R84 PolarHBondContact O-NH2 2.92Å; S75-L129 PolarHBondContact OG-O 3.5Å; S75-V131 PolarHBondContact N-O 2.78Å; S75-V131 VanDerWaalsContact N-O 3.12Å
76V59.6Low79.3Confident130 Ų13049.4 Ų49.479%0.78831%0.313SS*.SBendtrans-75.6135.7-179.7-176.80000109.4
77G49.9Very low79.4Confident53 Ų5344.8 Ų44.855%0.54628%0.283SS..  trans96.849.4170.600000116.9
78T51.3Low79.4Confident34 Ų3444.4 Ų44.421%0.20928%0.281CS..  trans-112.618.1179.669.70000115.2G80 K81 R84T78-G80 PolarHBondContact O-N 3.45Å; T78-K81 PolarHBondContact O-N 3.41Å; T78-K81 VanDerWaalsContact O-N 3.16Å; T78-R84 VanDerWaalsContact CG2-NH2 3.31Å; T78-R84 PolarHBondContact OG1-NE 2.83Å; T78-R84 PolarHBondContact OG1-NH2 2.82Å
79A43.1Very low79.4Confident108 Ų10844.4 Ų44.489%0.89328%0.281SS*.THydrogen-bonded Turntrans-58.6113.717100000109
80G51.1Low79.4Confident90 Ų9044.4 Ų44.493%0.92828%0.281SS*.THydrogen-bonded Turntrans84.411.1-179.600000117T78T78-G80 PolarHBondContact O-N 3.45Å
81K55.5Low79.4Confident93 Ų9343.6 Ų43.640%0.40428%0.278SS..PPolyproline II helixtrans-98.3157.7178.6-74.7-170.5-177.5177.90113.1T78 E128T78-K81 PolarHBondContact O-N 3.41Å; T78-K81 VanDerWaalsContact O-N 3.16Å; K81-E128 PolarHBondContact NZ-O 3Å
82P60.5Low79.4Confident101 Ų10143.6 Ų43.666%0.65628%0.278SS*.PPolyproline II helixtrans-57.6163177.222.7-34000113.3R84P82-R84 PolarHBondContact O-N 3.42Å
83R79.2Confident79.5Confident157 Ų15742.6 Ų42.659%0.59227%0.271SS*.PPolyproline II helixtrans-47128.8179.6-168.1-175.478.285.58.1110.5D160R83-D160 IonicContact CZ-OD1 3.22Å; R83-D160 IonicContact CZ-OD2 3.23Å; R83-D160 VanDerWaalsContact CZ-OD2 3.23Å; R83-D160 VanDerWaalsContact NH1-CG 3.33Å; R83-D160 IonicContact NH1-OD1 3.02Å; R83-D160 PolarHBondContact NH1-OD1 3.19Å; R83-D160 IonicContact NH1-OD2 2.85Å; R83-D160 PolarHBondContact NH1-OD2 3.39Å; R83-D160 IonicContact NH2-OD1 3.71Å; R83-D160 PolarHBondContact NH2-OD1 3.08Å; R83-D160 IonicContact NH2-OD2 2.99Å; R83-D160 PolarHBondContact NH2-OD2 2.91Å
84R86Confident79.7Confident68 Ų6842.1 Ų42.126%0.25727%0.269SS..PPolyproline II helixtrans-65.6136.6177.1-62.7177.5-179.2-156.9-10.7109.7S75 T78 P82 N86 P130 Q132S75-R84 PolarHBondContact O-NH2 2.92Å; T78-R84 VanDerWaalsContact CG2-NH2 3.31Å; T78-R84 PolarHBondContact OG1-NE 2.83Å; T78-R84 PolarHBondContact OG1-NH2 2.82Å; P82-R84 PolarHBondContact O-N 3.42Å; R84-N86 PolarHBondContact O-N 3.1Å; R84-P130 CarbonylContact C-O 3.56Å; R84-P130 WeakPolarHBondContact CA-O 3.48Å; R84-P130 HydrophobicContact CG-CB 4.25Å; R84-Q132 HydrophobicContact CB-CB 4.32Å
85L93Very high80.2Confident21 Ų2141.3 Ų41.311%0.1126%0.26CS..EExtended strand (participates in β ladder)trans-77120.9168.1-165.678.5000108.1P130 V131 Q132 D160 L161 L383 L389L85-P130 PolarHBondContact N-O 3.26Å; L85-V131 WeakPolarHBondContact O-CA 3.43Å; L85-Q132 PolarHBondContact O-N 3.3Å; L85-D160 WeakPolarHBondContact CA-OD2 3.5Å; L85-D160 HydrophobicContact CD1-CB 3.55Å; L85-D160 HydrophobicContact CG-CB 4Å; L85-L161 HydrophobicContact CD2-CD1 3.97Å; L85-L383 HydrophobicContact CB-CD2 4.48Å; L85-L383 HydrophobicContact CD2-CD2 3.55Å; L85-L389 HydrophobicContact CD1-CD1 4.43Å; L85-L389 HydrophobicContact CD1-CD2 4.1Å; L85-L389 HydrophobicContact CD2-CD1 4.31Å; L85-L389 HydrophobicContact CD2-CD2 4.19Å
86N96.8Very high81.3Confident4 Ų442.3 Ų42.32%0.02127%0.265CS..EExtended strand (participates in β ladder)trans-95.4112.6179.8-171.610.9000110.9R84 Q132 T134 D158 D160 L161R84-N86 PolarHBondContact O-N 3.1Å; N86-Q132 CarbonylContact C-O 3.58Å; N86-Q132 WeakPolarHBondContact CA-O 3.44Å; N86-Q132 HydrophobicContact CB-CB 4.2Å; N86-Q132 PolarHBondContact ND2-NE2 2.89Å; N86-Q132 PolarHBondContact OD1-O 2.82Å; N86-T134 PolarHBondContact ND2-OG1 3.29Å; N86-T134 VanDerWaalsContact ND2-OG1 3.16Å; N86-T134 PolarHBondContact OD1-OG1 2.99Å; N86-D158 WeakPolarHBondContact CB-O 3.43Å; N86-D158 PolarHBondContact ND2-O 3.47Å; N86-D160 PolarHBondContact N-OD2 3.12Å; N86-D160 WeakPolarHBondContact O-CB 3.22Å; N86-D160 PolarHBondContact O-N 2.63Å; N86-L161 PolarHBondContact O-N 2.91Å
87V98.5Very high83Confident0 Ų040.3 Ų40.30%026%0.255CS..EExtended strand (participates in β ladder)trans-99.2115.5176.7-177.40000109F89 L119 V131 Q132 I133 T134 L161 F163 A379 L383V87-F89 HydrophobicContact CG1-CE2 3.85Å; V87-F89 HydrophobicContact CG1-CZ 4.02Å; V87-L119 HydrophobicContact CB-CD2 3.89Å; V87-L119 HydrophobicContact CG1-CD2 3.7Å; V87-L119 HydrophobicContact CG2-CD2 4.3Å; V87-V131 HydrophobicContact CG2-CG1 4.49Å; V87-Q132 PolarHBondContact N-O 2.86Å; V87-I133 WeakPolarHBondContact O-CA 3.33Å; V87-T134 PolarHBondContact O-N 3.31Å; V87-L161 HydrophobicContact CG2-CD1 4.44Å; V87-F163 HydrophobicContact CG1-CD2 3.73Å; V87-F163 HydrophobicContact CG1-CE2 3.68Å; V87-A379 HydrophobicContact CG1-CB 4.11Å; V87-L383 HydrophobicContact CG2-CD2 4.23Å
88G98.5Very high85.1Confident0 Ų047.7 Ų47.70%028%0.275CS..EExtended strand (participates in β ladder)trans-97.6143.2-179.700000113.2T134 L161 I162 F163G88-T134 CarbonylContact C-O 3.42Å; G88-T134 WeakPolarHBondContact CA-O 3.44Å; G88-L161 PolarHBondContact N-O 3.07Å; G88-I162 WeakPolarHBondContact O-CA 3.44Å; G88-F163 PolarHBondContact O-N 3.23Å
89F98.9Very high87.2Confident0 Ų048.3 Ų48.30%028%0.277CS..EExtended strand (participates in β ladder)trans-122.6135.5170.1-64.6-86.3000109.9V87 A115 A116 L119 I133 T134 V135 L136 F163 A379V87-F89 HydrophobicContact CG1-CE2 3.85Å; V87-F89 HydrophobicContact CG1-CZ 4.02Å; F89-A115 HydrophobicContact CD1-CB 3.59Å; F89-A115 HydrophobicContact CE1-CB 3.48Å; F89-A115 VanDerWaalsContact CE1-CB 3.48Å; F89-A115 HydrophobicContact CG-CB 4.39Å; F89-A115 HydrophobicContact CZ-CB 4.19Å; F89-A116 HydrophobicContact CB-CB 4.39Å; F89-A116 HydrophobicContact CD2-CB 3.66Å; F89-A116 HydrophobicContact CE2-CB 4.23Å; F89-A116 HydrophobicContact CG-CB 4.16Å; F89-L119 HydrophobicContact CE2-CB 4.25Å; F89-L119 HydrophobicContact CE2-CD2 3.69Å; F89-L119 HydrophobicContact CZ-CB 4.27Å; F89-L119 HydrophobicContact CZ-CD2 3.86Å; F89-I133 HydrophobicContact CD2-CG2 4.1Å; F89-I133 HydrophobicContact CE2-CG2 4.13Å; F89-T134 PolarHBondContact N-O 3.37Å; F89-V135 HydrophobicContact CB-CG2 4.47Å; F89-V135 VanDerWaalsContact O-CA 3.31Å; F89-V135 WeakPolarHBondContact O-CA 3.47Å; F89-L136 PolarHBondContact O-N 3.17Å; F89-F163 VanDerWaalsContact CA-O 3.29Å; F89-F163 WeakPolarHBondContact CA-O 3.45Å; F89-F163 HydrophobicContact CD1-CB 3.62Å; F89-F163 HydrophobicContact CD1-CG 4.49Å; F89-F163 HydrophobicContact CE1-CB 3.66Å; F89-F163 HydrophobicContact CE1-CD2 4.36Å; F89-F163 HydrophobicContact CE1-CG 4.08Å; F89-A379 HydrophobicContact CZ-CB 4.42Å
90L98.9Very high89.7Confident0 Ų043.7 Ų43.70%024%0.24CC..EExtended strand (participates in β ladder)trans-100.1143.2179.2-55.1-175.5000111.6L136 T138 K147 F156 I162 F163 M164 F328L90-L136 HydrophobicContact CD2-CB 3.75Å; L90-L136 HydrophobicContact CD2-CD1 4.12Å; L90-L136 HydrophobicContact CD2-CG 4.43Å; L90-T138 HydrophobicContact CD2-CG2 3.97Å; L90-K147 HydrophobicContact CD1-CD 4.04Å; L90-F156 HydrophobicContact CD1-CE1 4.47Å; L90-F156 HydrophobicContact CD2-CE1 3.92Å; L90-F156 HydrophobicContact CD2-CZ 4.37Å; L90-I162 HydrophobicContact CD1-CD1 4.42Å; L90-I162 HydrophobicContact CD1-CG1 3.92Å; L90-I162 HydrophobicContact CD2-CD1 3.52Å; L90-I162 HydrophobicContact CD2-CG1 3.96Å; L90-I162 HydrophobicContact CG-CD1 3.81Å; L90-I162 HydrophobicContact CG-CG1 3.74Å; L90-F163 PolarHBondContact N-O 3.46Å; L90-M164 HydrophobicContact CB-CB 4.1Å; L90-M164 HydrophobicContact CB-CG 4.05Å; L90-M164 HydrophobicContact CB-SD 4Å; L90-M164 HydrophobicContact CD1-CB 4.49Å; L90-M164 HydrophobicContact CD1-SD 4.16Å; L90-F328 HydrophobicContact CD1-CD2 3.66Å; L90-F328 HydrophobicContact CD1-CE2 3.78Å
91C98.8Very high91.9Very high0 Ų039.6 Ų39.60%020%0.197CC..EExtended strand (participates in β ladder)trans-125.3112.4174.2-67.70000108.4L46 Y93 A109 L136 T138L46-C91 HydrophobicContact CD1-CB 4.32Å; C91-Y93 HydrophobicContact CB-CD1 4.38Å; C91-Y93 HydrophobicContact CB-CE1 4.45Å; C91-Y93 WeakPolarHBondContact O-CD1 3.17Å; C91-Y93 WeakPolarHBondContact O-CE1 3.48Å; C91-A109 HydrophobicContact CB-CB 4.34Å; C91-A109 PolarHBondContact SG-O 3.5Å; C91-L136 PolarHBondContact N-O 3Å; C91-T138 PolarHBondContact O-N 2.93Å; C91-T138 PolarHBondContact O-OG1 3.41Å
92E98.7Very high93.9Very high0 Ų035.1 Ų35.10%018%0.177CC..  trans-93.3152.9165.8-68.9170178.500110H105 I108 A109 T138 E141 K147 M164E92-H105 HydrophobicContact CB-CB 4.22Å; E92-H105 CarbonylContact O-C 3.59Å; E92-H105 IonicContact OE2-CD2 3.4Å; E92-H105 IonicContact OE2-CE1 3.5Å; E92-H105 IonicContact OE2-NE2 2.75Å; E92-I108 HydrophobicContact CB-CB 4.35Å; E92-I108 HydrophobicContact CB-CD1 4.38Å; E92-I108 HydrophobicContact CB-CG2 3.99Å; E92-I108 HydrophobicContact CG-CG2 4.38Å; E92-I108 WeakPolarHBondContact OE2-CD1 3.16Å; E92-A109 WeakPolarHBondContact O-CB 3.4Å; E92-A109 PolarHBondContact O-N 2.75Å; E92-T138 WeakPolarHBondContact CG-OG1 3.46Å; E92-E141 HydrophobicContact CG-CB 4.37Å; E92-E141 WeakPolarHBondContact OE1-CG 3.34Å; E92-K147 WeakPolarHBondContact OE1-CE 3.28Å; E92-K147 IonicContact OE1-NZ 3.3Å; E92-K147 PolarHBondContact OE1-NZ 3.5Å; E92-M164 HydrophobicContact CG-CE 4.02Å; E92-M164 WeakPolarHBondContact OE1-CE 3.46Å; E92-M164 WeakPolarHBondContact OE2-CE 3.33Å
93Y98.4Very high95.6Very high0 Ų030.8 Ų30.80%015%0.149CC..  trans-163.116.4-175.344.1-98.9000114.3E39 A42 H43 L46 T67 F69 C91 H101 G137 P139E39-Y93 HydrophobicContact CB-CD2 3.67Å; E39-Y93 HydrophobicContact CB-CE2 3.92Å; E39-Y93 HydrophobicContact CG-CD2 4.19Å; A42-Y93 HydrophobicContact CB-CD2 3.71Å; A42-Y93 HydrophobicContact CB-CG 3.96Å; H43-Y93 HydrophobicContact CB-CE2 4.42Å; L46-Y93 HydrophobicContact CD1-CD1 3.25Å; L46-Y93 HydrophobicContact CD1-CE1 3.57Å; L46-Y93 HydrophobicContact CD1-CG 3.97Å; T67-Y93 WeakPolarHBondContact O-CE2 3.48Å; T67-Y93 PolarHBondContact O-OH 2.81Å; F69-Y93 HydrophobicContact CE1-CE1 4.06Å; C91-Y93 HydrophobicContact CB-CD1 4.38Å; C91-Y93 HydrophobicContact CB-CE1 4.45Å; C91-Y93 WeakPolarHBondContact O-CD1 3.17Å; C91-Y93 WeakPolarHBondContact O-CE1 3.48Å; Y93-H101 PolarHBondContact O-CE1 2.77Å; Y93-H101 VanDerWaalsContact O-CE1 3.31Å; Y93-G137 VanDerWaalsContact OH-C 3.24Å; Y93-G137 WeakPolarHBondContact OH-CA 3.49Å; Y93-P139 HydrophobicContact CE2-CB 4.23Å
94D98.3Very high96.5Very high1 Ų123.3 Ų23.31%0.00512%0.121CC..  trans-75.8157.3165.858.8-42.8000111.8E34 E39 H101 H105 A140 E141 E142E34-D94 CarbonylContact O-C 3.52Å; E39-D94 HydrophobicContact CG-CB 3.7Å; E39-D94 WeakPolarHBondContact OE1-CB 3.34Å; D94-H101 PolarHBondContact O-CE1 2.93Å; D94-H101 PolarHBondContact O-ND1 2.94Å; D94-H101 VanDerWaalsContact O-ND1 3.11Å; D94-H105 WeakPolarHBondContact O-CB 3.23Å; D94-H105 PolarHBondContact O-ND1 3.46Å; D94-H105 VanDerWaalsContact O-ND1 3.13Å; D94-H105 IonicContact OD1-CE1 2.81Å; D94-H105 PolarHBondContact OD1-CE1 3.42Å; D94-H105 IonicContact OD1-CG 3.4Å; D94-H105 IonicContact OD1-ND1 3.95Å; D94-H105 PolarHBondContact OD1-ND1 3.13Å; D94-A140 WeakPolarHBondContact OD2-CA 3.2Å; D94-E141 PolarHBondContact OD2-N 3.05Å; D94-E142 WeakPolarHBondContact OD2-CB 3.47Å; D94-E142 PolarHBondContact OD2-N 3.35Å
95A97.6Very high97.1Very high4 Ų420.1 Ų20.13%0.03311%0.109CC..BIsolated β-bridgetrans-118.7163.8179.100000110.7P33 E34 V35P33-A95 HydrophobicContact CB-CB 3.51Å; E34-A95 WeakPolarHBondContact O-CB 3.34Å; E34-A95 PolarHBondContact O-N 2.72Å; V35-A95 WeakPolarHBondContact CA-O 3.34Å
96L95.6Very high97.4Very high24 Ų2419.1 Ų19.113%0.12610%0.104CC..BIsolated β-bridgetrans-89.6143.6174.8-72.9163.7000110.5E98 I99 G100 A102 C103 E142 H351L96-E98 PolarHBondContact O-N 2.96Å; L96-I99 HydrophobicContact CB-CD1 4.05Å; L96-I99 HydrophobicContact CB-CG1 3.65Å; L96-I99 HydrophobicContact CD1-CD1 4.01Å; L96-I99 HydrophobicContact CD1-CG1 4.43Å; L96-G100 PolarHBondContact N-O 3.36Å; L96-G100 PolarHBondContact O-N 2.98Å; L96-G100 VanDerWaalsContact O-N 3.13Å; L96-A102 HydrophobicContact CD1-CB 4.15Å; L96-C103 HydrophobicContact CD1-CB 4.4Å; L96-E142 HydrophobicContact CD2-CB 4.02Å; L96-E142 HydrophobicContact CD2-CG 3.89Å; L96-E142 HydrophobicContact CG-CG 4.2Å; L96-H351 HydrophobicContact CD1-CB 4.13Å
97P93.5Very high97.5Very high89 Ų8919 Ų1958%0.57810%0.103SC*.THydrogen-bonded Turntrans-53.1136.9174.4-25.133.5000111.6V35 I99V35-P97 HydrophobicContact CG1-CG 4.11Å; P97-I99 PolarHBondContact O-N 3.1Å
98E93.9Very high97.5Very high207 Ų20719 Ų1997%0.96710%0.103SC*.THydrogen-bonded Turntrans67.4-31.9175.7-52.1-178.6173.500116.5L96L96-E98 PolarHBondContact O-N 2.96Å
99I95.4Very high97.5Very high47 Ų4719 Ų1924%0.24110%0.103CC..THydrogen-bonded Turntrans-107.2-1.1-173.864.4176.9000114.3L96 P97 A102 E353 A356L96-I99 HydrophobicContact CB-CD1 4.05Å; L96-I99 HydrophobicContact CB-CG1 3.65Å; L96-I99 HydrophobicContact CD1-CD1 4.01Å; L96-I99 HydrophobicContact CD1-CG1 4.43Å; P97-I99 PolarHBondContact O-N 3.1Å; I99-A102 HydrophobicContact CB-CB 4.23Å; I99-A102 HydrophobicContact CD1-CB 3.54Å; I99-A102 HydrophobicContact CG1-CB 3.72Å; I99-E353 HydrophobicContact CB-CG 4.47Å; I99-E353 HydrophobicContact CG2-CG 3.95Å; I99-A356 WeakPolarHBondContact O-CB 3.43Å
100G97.4Very high97.5Very high12 Ų1219 Ų1912%0.12410%0.103CC..BIsolated β-bridgetrans69.9-146.5175.200000113.2L96 A102L96-G100 PolarHBondContact N-O 3.36Å; L96-G100 PolarHBondContact O-N 2.98Å; L96-G100 VanDerWaalsContact O-N 3.13Å; G100-A102 PolarHBondContact O-N 2.98Å
101H97.3Very high97.5Very high3 Ų319.1 Ų19.11%0.01410%0.104CC..SBendtrans-75.454.1179.4-68.6-72.4000112.8I29 Y93 D94 C103 G104I29-H101 PolarHBondContact O-NE2 3.05Å; Y93-H101 PolarHBondContact O-CE1 2.77Å; Y93-H101 VanDerWaalsContact O-CE1 3.31Å; D94-H101 PolarHBondContact O-CE1 2.93Å; D94-H101 PolarHBondContact O-ND1 2.94Å; D94-H101 VanDerWaalsContact O-ND1 3.11Å; H101-C103 PolarHBondContact O-N 2.87Å; H101-G104 PolarHBondContact O-N 2.87Å
102A96.9Very high97.5Very high0 Ų019.1 Ų19.10%010%0.104CC..THydrogen-bonded Turntrans-71.2-6.3176.800000113.8L96 I99 G100 H351 T352 Y355 A356L96-A102 HydrophobicContact CD1-CB 4.15Å; I99-A102 HydrophobicContact CB-CB 4.23Å; I99-A102 HydrophobicContact CD1-CB 3.54Å; I99-A102 HydrophobicContact CG1-CB 3.72Å; G100-A102 PolarHBondContact O-N 2.98Å; A102-H351 PolarHBondContact O-N 3.08Å; A102-T352 WeakPolarHBondContact CB-O 3.41Å; A102-Y355 WeakPolarHBondContact O-CD1 3.37Å; A102-A356 HydrophobicContact CB-CB 3.99Å
103C96.9Very high97.5Very high9 Ų919.1 Ų19.16%0.06110%0.104CC..THydrogen-bonded Turntrans-100.3-5.6166.2-152.50000113L96 H101 H105 E142 H166 P167 H351L96-C103 HydrophobicContact CD1-CB 4.4Å; H101-C103 PolarHBondContact O-N 2.87Å; C103-H105 WeakPolarHBondContact CB-NE2 3.49Å; C103-E142 WeakPolarHBondContact CB-OE1 3.42Å; C103-E142 PolarHBondContact SG-OE1 2.9Å; C103-E142 VanDerWaalsContact SG-OE1 3.4Å; C103-H166 PolarHBondContact O-CE1 3.32Å; C103-H166 PolarHBondContact SG-CE1 2.78Å; C103-H166 PolarHBondContact SG-NE2 3.47Å; C103-H166 VanDerWaalsContact SG-NE2 3.39Å; C103-P167 WeakPolarHBondContact O-CG 3.35Å; C103-H351 PolarHBondContact SG-NE2 2.84Å
104G97.9Very high97.6Very high0 Ų019.2 Ų19.20%010%0.104CC..  trans77.524.8174.600000115.1H101 N106 L107 I108H101-G104 PolarHBondContact O-N 2.87Å; G104-N106 PolarHBondContact O-N 3.25Å; G104-N106 VanDerWaalsContact O-N 3.15Å; G104-L107 WeakPolarHBondContact O-CA 3.33Å; G104-L107 WeakPolarHBondContact O-CB 3.43Å; G104-L107 PolarHBondContact O-N 3.4Å; G104-I108 PolarHBondContact O-N 2.99Å
105H98.6Very high97.6Very high1 Ų119.1 Ų19.11%0.00510%0.104CC..Hα-helixtrans-60.3-26.3-177.5-65.2-171.3000112.9E92 D94 C103 L107 I108 A109 E141 E142E92-H105 HydrophobicContact CB-CB 4.22Å; E92-H105 CarbonylContact O-C 3.59Å; E92-H105 IonicContact OE2-CD2 3.4Å; E92-H105 IonicContact OE2-CE1 3.5Å; E92-H105 IonicContact OE2-NE2 2.75Å; D94-H105 WeakPolarHBondContact O-CB 3.23Å; D94-H105 PolarHBondContact O-ND1 3.46Å; D94-H105 VanDerWaalsContact O-ND1 3.13Å; D94-H105 IonicContact OD1-CE1 2.81Å; D94-H105 PolarHBondContact OD1-CE1 3.42Å; D94-H105 IonicContact OD1-CG 3.4Å; D94-H105 IonicContact OD1-ND1 3.95Å; D94-H105 PolarHBondContact OD1-ND1 3.13Å; C103-H105 WeakPolarHBondContact CB-NE2 3.49Å; H105-L107 PolarHBondContact O-N 2.9Å; H105-I108 VanDerWaalsContact CD2-CD1 3.49Å; H105-I108 WeakPolarHBondContact CD2-CD1 3.38Å; H105-I108 WeakPolarHBondContact O-CB 3.46Å; H105-I108 PolarHBondContact O-N 3.47Å; H105-A109 PolarHBondContact O-N 3.46Å; H105-E141 IonicContact CE1-OE2 3.49Å; H105-E142 IonicContact CE1-OE1 2.77Å; H105-E142 IonicContact NE2-OE1 3.84Å
106N98.8Very high97.6Very high1 Ų119 Ų191%0.00510%0.103CC..Hα-helixtrans-56-36.8169.269.1-73.9000113.2S26 I29 W30 G104 E110 A359S26-N106 PolarHBondContact OG-ND2 3.45Å; S26-N106 VanDerWaalsContact OG-ND2 3.1Å; S26-N106 PolarHBondContact OG-O 2.92Å; I29-N106 HydrophobicContact CB-CB 4.14Å; I29-N106 HydrophobicContact CG2-CB 3.87Å; W30-N106 HydrophobicContact CB-CB 3.96Å; G104-N106 PolarHBondContact O-N 3.25Å; G104-N106 VanDerWaalsContact O-N 3.15Å; N106-E110 PolarHBondContact O-N 3.36Å; N106-A359 PolarHBondContact ND2-O 3.32Å
107L98.8Very high97.8Very high0 Ų018 Ų180%010%0.097CC..Hα-helixtrans-77.6-32.5175.8-61.5175.6000111.7G104 H105 E110 V111 P167 F342 I344 A359 A364 A368G104-L107 WeakPolarHBondContact O-CA 3.33Å; G104-L107 WeakPolarHBondContact O-CB 3.43Å; G104-L107 PolarHBondContact O-N 3.4Å; H105-L107 PolarHBondContact O-N 2.9Å; L107-E110 PolarHBondContact O-N 3.06Å; L107-V111 VanDerWaalsContact O-CB 3.32Å; L107-V111 WeakPolarHBondContact O-CB 3.49Å; L107-V111 WeakPolarHBondContact O-CG2 3.41Å; L107-V111 PolarHBondContact O-N 3.45Å; L107-P167 HydrophobicContact CB-CG 4.5Å; L107-P167 HydrophobicContact CD1-CB 4.22Å; L107-F342 HydrophobicContact CB-CZ 4.15Å; L107-I344 HydrophobicContact CD1-CB 4.36Å; L107-I344 HydrophobicContact CD1-CD1 4.38Å; L107-I344 HydrophobicContact CD1-CG2 3.73Å; L107-A359 HydrophobicContact CD1-CB 4.24Å; L107-A364 HydrophobicContact CD1-CB 4.01Å; L107-A364 HydrophobicContact CD2-CB 4.28Å; L107-A368 HydrophobicContact CD2-CB 4.17Å
108I98.9Very high98Very high1 Ų113.7 Ų13.71%0.0057%0.07CC..Hα-helixtrans-63.2-48.5174.5-57.5-179.2000109.8E92 G104 H105 E110 V111 G112 M164 P167E92-I108 HydrophobicContact CB-CB 4.35Å; E92-I108 HydrophobicContact CB-CD1 4.38Å; E92-I108 HydrophobicContact CB-CG2 3.99Å; E92-I108 HydrophobicContact CG-CG2 4.38Å; E92-I108 WeakPolarHBondContact OE2-CD1 3.16Å; G104-I108 PolarHBondContact O-N 2.99Å; H105-I108 VanDerWaalsContact CD2-CD1 3.49Å; H105-I108 WeakPolarHBondContact CD2-CD1 3.38Å; H105-I108 WeakPolarHBondContact O-CB 3.46Å; H105-I108 PolarHBondContact O-N 3.47Å; I108-E110 VanDerWaalsContact C-N 3.33Å; I108-E110 PolarHBondContact O-N 3.31Å; I108-V111 PolarHBondContact O-N 3.34Å; I108-G112 PolarHBondContact O-N 3Å; I108-M164 HydrophobicContact CD1-CE 4.06Å; I108-M164 HydrophobicContact CG2-CE 3.81Å; I108-M164 HydrophobicContact CG2-CG 4.1Å; I108-P167 VanDerWaalsContact CG1-CD 3.4Å; I108-P167 HydrophobicContact CG1-CG 4.31Å
109A98.8Very high98.2Very high0 Ų03.9 Ų3.90%02%0.024CC..Hα-helixtrans-53.4-49.6173.200000112I29 L46 C91 E92 H105 A113I29-A109 HydrophobicContact CD1-CB 3.66Å; L46-A109 HydrophobicContact CD1-CB 4.04Å; L46-A109 HydrophobicContact CD2-CB 4.31Å; C91-A109 HydrophobicContact CB-CB 4.34Å; C91-A109 PolarHBondContact SG-O 3.5Å; E92-A109 WeakPolarHBondContact O-CB 3.4Å; E92-A109 PolarHBondContact O-N 2.75Å; H105-A109 PolarHBondContact O-N 3.46Å; A109-A113 WeakPolarHBondContact O-CB 3.43Å; A109-A113 PolarHBondContact O-N 3.07Å
110E98.8Very high98.2Very high1 Ų12.2 Ų2.21%0.0052%0.015CC..Hα-helixtrans-60.5-46.8178.3-174.1-176.6179.200112.3L22 S26 N106 L107 I108 A113 A114 Q365L22-E110 HydrophobicContact CB-CG 3.99Å; L22-E110 HydrophobicContact CD2-CG 4.44Å; S26-E110 WeakPolarHBondContact CB-OE2 3.43Å; S26-E110 PolarHBondContact OG-OE2 3.05Å; N106-E110 PolarHBondContact O-N 3.36Å; L107-E110 PolarHBondContact O-N 3.06Å; I108-E110 VanDerWaalsContact C-N 3.33Å; I108-E110 PolarHBondContact O-N 3.31Å; E110-A113 PolarHBondContact O-N 3.38Å; E110-A114 WeakPolarHBondContact O-CB 2.91Å; E110-A114 PolarHBondContact O-N 2.94Å; E110-Q365 PolarHBondContact OE1-NE2 3.06Å; E110-Q365 PolarHBondContact OE1-OE1 3.37Å; E110-Q365 PolarHBondContact OE2-NE2 2.79Å
111V98.9Very high98.2Very high1 Ų12.3 Ų2.31%0.0061%0.014CC..Hα-helixtrans-63-46.6-178.4165.40000111.3L107 I108 A113 A114 A115 A165 F342 A368 A371 A372 L375L107-V111 VanDerWaalsContact O-CB 3.32Å; L107-V111 WeakPolarHBondContact O-CB 3.49Å; L107-V111 WeakPolarHBondContact O-CG2 3.41Å; L107-V111 PolarHBondContact O-N 3.45Å; I108-V111 PolarHBondContact O-N 3.34Å; V111-A113 PolarHBondContact O-N 3.12Å; V111-A114 PolarHBondContact O-N 3.19Å; V111-A115 WeakPolarHBondContact O-CB 3.27Å; V111-A115 PolarHBondContact O-N 3.15Å; V111-A165 HydrophobicContact CG1-CB 4.21Å; V111-F342 HydrophobicContact CG2-CE1 4.07Å; V111-F342 HydrophobicContact CG2-CE2 4.48Å; V111-F342 HydrophobicContact CG2-CZ 3.79Å; V111-A368 HydrophobicContact CG2-CB 3.99Å; V111-A368 WeakPolarHBondContact CG2-O 3.43Å; V111-A371 HydrophobicContact CG1-CB 4.46Å; V111-A371 HydrophobicContact CG2-CB 4.33Å; V111-A372 HydrophobicContact CG1-CB 4.24Å; V111-L375 HydrophobicContact CG1-CD1 3.63Å
112G98.8Very high98.2Very high1 Ų12.1 Ų2.11%0.011%0.014CC..Hα-helixtrans-60.2-45.3176.700000111.9I108 A115 A116I108-G112 PolarHBondContact O-N 3Å; G112-A115 PolarHBondContact O-N 3.01Å; G112-A116 WeakPolarHBondContact O-CB 3.24Å; G112-A116 PolarHBondContact O-N 3.1Å; G112-A116 VanDerWaalsContact O-N 3.1Å
113A98.8Very high98.1Very high0 Ų02.2 Ų2.20%01%0.014CC..Hα-helixtrans-65.8-45178.800000112.9L22 L25 F49 F50 A109 E110 V111 A116 L117L22-A113 HydrophobicContact CD2-CB 4.48Å; L25-A113 HydrophobicContact CD2-CB 4.19Å; F49-A113 HydrophobicContact CD1-CB 4.42Å; F49-A113 HydrophobicContact CE1-CB 3.96Å; F50-A113 HydrophobicContact CE2-CB 4.04Å; F50-A113 HydrophobicContact CZ-CB 3.84Å; A109-A113 WeakPolarHBondContact O-CB 3.43Å; A109-A113 PolarHBondContact O-N 3.07Å; E110-A113 PolarHBondContact O-N 3.38Å; V111-A113 PolarHBondContact O-N 3.12Å; A113-A116 PolarHBondContact O-N 2.84Å; A113-L117 WeakPolarHBondContact O-CG 3.24Å; A113-L117 PolarHBondContact O-N 3.11Å; A113-L117 VanDerWaalsContact O-N 3.13Å
114A98.8Very high97.9Very high1 Ų16.5 Ų6.51%0.0083%0.033CC..Hα-helixtrans-62.2-45177.300000111.8I15 L22 E110 V111 A116 L117 G118 A372I15-A114 WeakPolarHBondContact CG1-O 3.4Å; I15-A114 HydrophobicContact CG2-CB 4.48Å; L22-A114 HydrophobicContact CD1-CB 3.58Å; L22-A114 HydrophobicContact CD2-CB 3.81Å; L22-A114 HydrophobicContact CG-CB 4.32Å; E110-A114 WeakPolarHBondContact O-CB 2.91Å; E110-A114 PolarHBondContact O-N 2.94Å; V111-A114 PolarHBondContact O-N 3.19Å; A114-A116 PolarHBondContact O-N 3.41Å; A114-L117 PolarHBondContact O-N 3.26Å; A114-G118 PolarHBondContact O-N 3.26Å; A114-A372 HydrophobicContact CB-CB 3.58Å
115A98.9Very high97.7Very high0 Ų08.5 Ų8.50%05%0.046CC..Hα-helixtrans-62.7-42.9-179.900000111.7F89 V111 G112 G118 L119 A372 L375 A376F89-A115 HydrophobicContact CD1-CB 3.59Å; F89-A115 HydrophobicContact CE1-CB 3.48Å; F89-A115 VanDerWaalsContact CE1-CB 3.48Å; F89-A115 HydrophobicContact CG-CB 4.39Å; F89-A115 HydrophobicContact CZ-CB 4.19Å; V111-A115 WeakPolarHBondContact O-CB 3.27Å; V111-A115 PolarHBondContact O-N 3.15Å; G112-A115 PolarHBondContact O-N 3.01Å; A115-G118 PolarHBondContact O-N 3.41Å; A115-L119 WeakPolarHBondContact O-CB 3.27Å; A115-L119 PolarHBondContact O-N 3.04Å; A115-A372 HydrophobicContact CB-CB 4.44Å; A115-L375 HydrophobicContact CB-CB 4.27Å; A115-A376 HydrophobicContact CB-CB 3.98Å; A115-A376 WeakPolarHBondContact O-CB 3.1Å
116A98.6Very high97.3Very high0 Ų09.1 Ų9.10%05%0.049CC..Hα-helixtrans-63.2-45.3177.100000112.9W57 F89 G112 A113 A114 L119 K120 I133 V135W57-A116 HydrophobicContact CH2-CB 4.21Å; F89-A116 HydrophobicContact CB-CB 4.39Å; F89-A116 HydrophobicContact CD2-CB 3.66Å; F89-A116 HydrophobicContact CE2-CB 4.23Å; F89-A116 HydrophobicContact CG-CB 4.16Å; G112-A116 WeakPolarHBondContact O-CB 3.24Å; G112-A116 PolarHBondContact O-N 3.1Å; G112-A116 VanDerWaalsContact O-N 3.1Å; A113-A116 PolarHBondContact O-N 2.84Å; A114-A116 PolarHBondContact O-N 3.41Å; A116-L119 PolarHBondContact O-N 3.3Å; A116-K120 WeakPolarHBondContact O-CB 3.43Å; A116-K120 PolarHBondContact O-N 3.32Å; A116-I133 HydrophobicContact CB-CG2 4Å; A116-V135 HydrophobicContact CB-CG2 3.27Å
117L98.4Very high96.4Very high3 Ų313.1 Ų13.12%0.0168%0.075CC..Hα-helixtrans-68.3-35.5177.6-67.6173.4000112.6L18 F49 F50 Q53 W57 A113 A114 A121L18-L117 HydrophobicContact CD1-CB 3.96Å; L18-L117 HydrophobicContact CD1-CD1 3.62Å; L18-L117 HydrophobicContact CD1-CG 4.39Å; F49-L117 HydrophobicContact CE1-CD1 3.56Å; F49-L117 HydrophobicContact CZ-CD1 3.69Å; F50-L117 HydrophobicContact CE1-CD2 4.43Å; F50-L117 HydrophobicContact CE1-CG 4.44Å; Q53-L117 HydrophobicContact CB-CD2 4.26Å; Q53-L117 HydrophobicContact CG-CD1 3.92Å; Q53-L117 HydrophobicContact CG-CD2 3.8Å; W57-L117 HydrophobicContact CZ2-CD2 3.72Å; A113-L117 WeakPolarHBondContact O-CG 3.24Å; A113-L117 PolarHBondContact O-N 3.11Å; A113-L117 VanDerWaalsContact O-N 3.13Å; A114-L117 PolarHBondContact O-N 3.26Å; L117-A121 PolarHBondContact O-N 3.31Å
118G98.3Very high95.7Very high0 Ų017.8 Ų17.80%010%0.096CC..Hα-helixtrans-63.4-46.7171.900000112.1L11 A114 A115 K120 A121 A122L11-G118 WeakPolarHBondContact CB-O 3.31Å; L11-G118 VanDerWaalsContact CD1-C 3.42Å; L11-G118 WeakPolarHBondContact CD1-O 3.39Å; L11-G118 VanDerWaalsContact CG-C 3.45Å; L11-G118 WeakPolarHBondContact CG-O 3.13Å; A114-G118 PolarHBondContact O-N 3.26Å; A115-G118 PolarHBondContact O-N 3.41Å; G118-K120 VanDerWaalsContact C-N 3.32Å; G118-K120 PolarHBondContact O-N 2.91Å; G118-A121 PolarHBondContact O-N 3.42Å; G118-A122 PolarHBondContact O-N 3.18Å
119L98Very high95.1Very high0 Ų019.5 Ų19.50%011%0.105CC..Hα-helixtrans-63.5-39.8178.1-175.363.2000111.4V87 F89 A115 A116 A121 A122 V123 I133 A376 A379 V380 L383V87-L119 HydrophobicContact CB-CD2 3.89Å; V87-L119 HydrophobicContact CG1-CD2 3.7Å; V87-L119 HydrophobicContact CG2-CD2 4.3Å; F89-L119 HydrophobicContact CE2-CB 4.25Å; F89-L119 HydrophobicContact CE2-CD2 3.69Å; F89-L119 HydrophobicContact CZ-CB 4.27Å; F89-L119 HydrophobicContact CZ-CD2 3.86Å; A115-L119 WeakPolarHBondContact O-CB 3.27Å; A115-L119 PolarHBondContact O-N 3.04Å; A116-L119 PolarHBondContact O-N 3.3Å; L119-A121 PolarHBondContact O-N 2.73Å; L119-A122 WeakPolarHBondContact O-CB 3.34Å; L119-A122 PolarHBondContact O-N 3.02Å; L119-V123 HydrophobicContact CD1-CG2 4.35Å; L119-V123 HydrophobicContact CG-CG2 4.34Å; L119-V123 WeakPolarHBondContact O-CG2 3.46Å; L119-V123 PolarHBondContact O-N 3.36Å; L119-I133 HydrophobicContact CB-CD1 3.99Å; L119-I133 HydrophobicContact CD2-CD1 4.04Å; L119-I133 HydrophobicContact CD2-CG1 4.08Å; L119-I133 HydrophobicContact CG-CD1 3.83Å; L119-I133 HydrophobicContact CG-CG1 4.4Å; L119-A376 HydrophobicContact CB-CB 4.45Å; L119-A379 HydrophobicContact CD1-CB 4.02Å; L119-A379 HydrophobicContact CD2-CB 3.96Å; L119-V380 HydrophobicContact CD1-CG2 3.71Å; L119-L383 HydrophobicContact CD1-CD1 3.84Å; L119-L383 HydrophobicContact CD2-CD1 4.44Å
120K96.6Very high94.6Very high12 Ų1221.1 Ų21.15%0.05212%0.116CC..Hα-helixtrans-53.7-52.6173174.8177.7177.3-75.20110.9D54 W57 W73 A116 G118 A122 V123 E124 I133D54-K120 WeakPolarHBondContact OD2-CE 3.37Å; D54-K120 IonicContact OD2-NZ 2.6Å; D54-K120 PolarHBondContact OD2-NZ 3.48Å; W57-K120 HydrophobicContact CZ2-CB 4.41Å; W57-K120 HydrophobicContact CZ2-CD 3.84Å; W73-K120 VanDerWaalsContact CD1-CE 3.45Å; W73-K120 HydrophobicContact CD2-CD 4.02Å; W73-K120 HydrophobicContact CD2-CG 3.9Å; W73-K120 HydrophobicContact CE3-CG 4.19Å; W73-K120 HydrophobicContact CG-CD 3.98Å; W73-K120 HydrophobicContact CG-CG 4.39Å; W73-K120 HydrophobicContact CH2-CG 4.24Å; W73-K120 HydrophobicContact CZ2-CG 3.98Å; W73-K120 HydrophobicContact CZ3-CG 4.36Å; A116-K120 WeakPolarHBondContact O-CB 3.43Å; A116-K120 PolarHBondContact O-N 3.32Å; G118-K120 VanDerWaalsContact C-N 3.32Å; G118-K120 PolarHBondContact O-N 2.91Å; K120-A122 VanDerWaalsContact C-N 3.31Å; K120-A122 PolarHBondContact O-N 2.85Å; K120-V123 PolarHBondContact O-N 3.37Å; K120-V123 VanDerWaalsContact O-N 3.17Å; K120-E124 WeakPolarHBondContact CE-OE1 3.32Å; K120-E124 HydrophobicContact CG-CG 4.48Å; K120-E124 VanDerWaalsContact NZ-CD 3.32Å; K120-E124 IonicContact NZ-OE1 2.67Å; K120-E124 PolarHBondContact NZ-OE1 2.93Å; K120-E124 IonicContact NZ-OE2 3.69Å; K120-E124 PolarHBondContact NZ-OE2 3.44Å; K120-E124 WeakPolarHBondContact O-CG 3.47Å; K120-E124 PolarHBondContact O-N 3.47Å; K120-I133 VanDerWaalsContact CA-CD1 3.47Å; K120-I133 HydrophobicContact CB-CD1 3.86Å; K120-I133 VanDerWaalsContact N-CD1 3.28Å
121A96.4Very high94.3Very high14 Ų1421.2 Ų21.212%0.11612%0.116CC..Hα-helixtrans-61.5-37.8179.500000112.8R14 L117 G118 L119 T125R14-A121 HydrophobicContact CB-CB 3.54Å; R14-A121 HydrophobicContact CG-CB 3.7Å; L117-A121 PolarHBondContact O-N 3.31Å; G118-A121 PolarHBondContact O-N 3.42Å; L119-A121 PolarHBondContact O-N 2.73Å; A121-T125 WeakPolarHBondContact O-CG2 3.28Å
122A96.7Very high94.1Very high0 Ų023.3 Ų23.30%013%0.126CC..Hα-helixtrans-60-51172.300000112M7 L11 G118 L119 K120 E124 T125 V380M7-A122 HydrophobicContact CB-CB 3.9Å; M7-A122 HydrophobicContact CE-CB 4.04Å; M7-A122 HydrophobicContact CG-CB 4.35Å; M7-A122 WeakPolarHBondContact O-CB 3.39Å; L11-A122 HydrophobicContact CB-CB 4.15Å; L11-A122 HydrophobicContact CD1-CB 4.24Å; G118-A122 PolarHBondContact O-N 3.18Å; L119-A122 WeakPolarHBondContact O-CB 3.34Å; L119-A122 PolarHBondContact O-N 3.02Å; K120-A122 VanDerWaalsContact C-N 3.31Å; K120-A122 PolarHBondContact O-N 2.85Å; A122-E124 VanDerWaalsContact C-N 3.29Å; A122-E124 PolarHBondContact O-N 3.04Å; A122-T125 WeakPolarHBondContact O-CB 3.3Å; A122-T125 PolarHBondContact O-N 3.3Å; A122-T125 VanDerWaalsContact O-N 3.11Å; A122-T125 PolarHBondContact O-OG1 3.07Å; A122-V380 HydrophobicContact CB-CG2 3.81Å
123V94.6Very high94.1Very high1 Ų123.2 Ų23.21%0.00613%0.125CC..Hα-helixtrans-63.6-34.7-178.5173.80000111.6M7 W73 L119 K120 T125 Q126 V131 L383M7-V123 HydrophobicContact CE-CG2 4.37Å; W73-V123 HydrophobicContact CH2-CB 4.22Å; W73-V123 HydrophobicContact CH2-CG1 3.86Å; W73-V123 HydrophobicContact CZ3-CB 4.19Å; W73-V123 HydrophobicContact CZ3-CG1 3.91Å; L119-V123 HydrophobicContact CD1-CG2 4.35Å; L119-V123 HydrophobicContact CG-CG2 4.34Å; L119-V123 WeakPolarHBondContact O-CG2 3.46Å; L119-V123 PolarHBondContact O-N 3.36Å; K120-V123 PolarHBondContact O-N 3.37Å; K120-V123 VanDerWaalsContact O-N 3.17Å; V123-T125 PolarHBondContact O-N 2.79Å; V123-Q126 CarbonylContact O-C 3.19Å; V123-Q126 WeakPolarHBondContact O-CA 3.32Å; V123-Q126 PolarHBondContact O-N 2.89Å; V123-V131 HydrophobicContact CG1-CB 4.11Å; V123-V131 HydrophobicContact CG2-CB 4.23Å; V123-V131 HydrophobicContact CG2-CG1 4.14Å; V123-V131 HydrophobicContact CG2-CG2 4.4Å; V123-L383 HydrophobicContact CG2-CD1 4.32Å
124E93Very high94.1Very high100 Ų10023.2 Ų23.247%0.46713%0.125SC..Hα-helixtrans-62.4-23175.7-74.9175.1149.200113.2W73 K120 A122 Q126W73-E124 HydrophobicContact CH2-CG 4.08Å; W73-E124 HydrophobicContact CZ2-CG 3.83Å; K120-E124 WeakPolarHBondContact CE-OE1 3.32Å; K120-E124 HydrophobicContact CG-CG 4.48Å; K120-E124 VanDerWaalsContact NZ-CD 3.32Å; K120-E124 IonicContact NZ-OE1 2.67Å; K120-E124 PolarHBondContact NZ-OE1 2.93Å; K120-E124 IonicContact NZ-OE2 3.69Å; K120-E124 PolarHBondContact NZ-OE2 3.44Å; K120-E124 WeakPolarHBondContact O-CG 3.47Å; K120-E124 PolarHBondContact O-N 3.47Å; A122-E124 VanDerWaalsContact C-N 3.29Å; A122-E124 PolarHBondContact O-N 3.04Å; E124-Q126 PolarHBondContact O-N 2.97Å
125T94.1Very high94.1Very high42 Ų4223.2 Ų23.226%0.25813%0.125SC..THydrogen-bonded Turntrans-74.6-12.7171.873.20000113.7M7 A10 A121 A122 V123M7-T125 WeakPolarHBondContact CG-OG1 3.34Å; A10-T125 HydrophobicContact CB-CG2 3.63Å; A121-T125 WeakPolarHBondContact O-CG2 3.28Å; A122-T125 WeakPolarHBondContact O-CB 3.3Å; A122-T125 PolarHBondContact O-N 3.3Å; A122-T125 VanDerWaalsContact O-N 3.11Å; A122-T125 PolarHBondContact O-OG1 3.07Å; V123-T125 PolarHBondContact O-N 2.79Å
126Q90Very high94.1Very high14 Ų1423.2 Ų23.27%0.06513%0.125CC..  trans-133.668.3-177-56-62.7-62.900109.8N3 M7 V123 E124 E128 L129N3-Q126 PolarHBondContact ND2-OE1 3.4Å; M7-Q126 HydrophobicContact CE-CG 4.32Å; M7-Q126 HydrophobicContact CG-CG 3.77Å; M7-Q126 HydrophobicContact SD-CB 4.49Å; M7-Q126 HydrophobicContact SD-CG 3.58Å; M7-Q126 VanDerWaalsContact SD-CG 3.58Å; V123-Q126 CarbonylContact O-C 3.19Å; V123-Q126 WeakPolarHBondContact O-CA 3.32Å; V123-Q126 PolarHBondContact O-N 2.89Å; E124-Q126 PolarHBondContact O-N 2.97Å; Q126-E128 VanDerWaalsContact C-OE2 3.24Å; Q126-E128 PolarHBondContact O-N 3.36Å; Q126-E128 PolarHBondContact OE1-OE1 3.39Å; Q126-L129 HydrophobicContact CB-CD1 3.61Å; Q126-L129 HydrophobicContact CB-CG 3.87Å; Q126-L129 HydrophobicContact CG-CD1 4.16Å; Q126-L129 WeakPolarHBondContact O-CB 3.31Å; Q126-L129 PolarHBondContact O-N 3.5Å
127P81Confident94.1Very high85 Ų8523.2 Ų23.255%0.55213%0.125SC*.THydrogen-bonded Turntrans-60.9-15-171.426.6-36.4000114.2L129P127-L129 VanDerWaalsContact C-N 3.33Å
128E83.3Confident94Very high97 Ų9723.1 Ų23.145%0.45313%0.125SC..THydrogen-bonded Turntrans-72.8-22.8175.269.3-80.8-169.400114K81 Q126 P130K81-E128 PolarHBondContact NZ-O 3Å; Q126-E128 VanDerWaalsContact C-OE2 3.24Å; Q126-E128 PolarHBondContact O-N 3.36Å; Q126-E128 PolarHBondContact OE1-OE1 3.39Å; E128-P130 WeakPolarHBondContact O-CD 3.5Å
129L86.3Confident94Very high38 Ų3823.2 Ų23.220%0.19913%0.126CC..SBendtrans-70.7120.9-177.4-67.7177.4000111.1M7 S75 Q126 P127 V131M7-L129 HydrophobicContact CE-CD1 3.77Å; M7-L129 HydrophobicContact SD-CD1 4.15Å; S75-L129 PolarHBondContact OG-O 3.5Å; Q126-L129 HydrophobicContact CB-CD1 3.61Å; Q126-L129 HydrophobicContact CB-CG 3.87Å; Q126-L129 HydrophobicContact CG-CD1 4.16Å; Q126-L129 WeakPolarHBondContact O-CB 3.31Å; Q126-L129 PolarHBondContact O-N 3.5Å; P127-L129 VanDerWaalsContact C-N 3.33Å; L129-V131 HydrophobicContact CB-CG2 4.11Å; L129-V131 PolarHBondContact O-N 3.22Å
130P88.8Confident93.9Very high33 Ų3323.4 Ų23.421%0.21413%0.127CC..  trans-82.183.8178.533.7-33.1000109.7R84 L85 E128R84-P130 CarbonylContact C-O 3.56Å; R84-P130 WeakPolarHBondContact CA-O 3.48Å; R84-P130 HydrophobicContact CG-CB 4.25Å; L85-P130 PolarHBondContact N-O 3.26Å; E128-P130 WeakPolarHBondContact O-CD 3.5Å
131V92.6Very high93.9Very high3 Ų323.3 Ų23.32%0.01813%0.127CC..EExtended strand (participates in β ladder)trans-121138.1-177.3179.60000110.3S75 L85 V87 V123 L129 I133 L383S75-V131 PolarHBondContact N-O 2.78Å; S75-V131 VanDerWaalsContact N-O 3.12Å; L85-V131 WeakPolarHBondContact O-CA 3.43Å; V87-V131 HydrophobicContact CG2-CG1 4.49Å; V123-V131 HydrophobicContact CG1-CB 4.11Å; V123-V131 HydrophobicContact CG2-CB 4.23Å; V123-V131 HydrophobicContact CG2-CG1 4.14Å; V123-V131 HydrophobicContact CG2-CG2 4.4Å; L129-V131 HydrophobicContact CB-CG2 4.11Å; L129-V131 PolarHBondContact O-N 3.22Å; V131-I133 HydrophobicContact CG1-CG1 4.23Å; V131-L383 HydrophobicContact CG1-CD1 4.31Å; V131-L383 HydrophobicContact CG1-CD2 4.38Å; V131-L383 HydrophobicContact CG2-CD1 4.17Å; V131-L383 HydrophobicContact CG2-CD2 3.62Å
132Q95.1Very high93.7Very high45 Ų4525 Ų2521%0.2113%0.132CC..EExtended strand (participates in β ladder)trans-111.6142.8164.4-178.6169.4-50.800108W73 R84 L85 N86 V87W73-Q132 CarbonylContact O-C 3.59Å; W73-Q132 WeakPolarHBondContact O-CA 3.28Å; W73-Q132 WeakPolarHBondContact O-CG 3.39Å; R84-Q132 HydrophobicContact CB-CB 4.32Å; L85-Q132 PolarHBondContact O-N 3.3Å; N86-Q132 CarbonylContact C-O 3.58Å; N86-Q132 WeakPolarHBondContact CA-O 3.44Å; N86-Q132 HydrophobicContact CB-CB 4.2Å; N86-Q132 PolarHBondContact ND2-NE2 2.89Å; N86-Q132 PolarHBondContact OD1-O 2.82Å; V87-Q132 PolarHBondContact N-O 2.86Å
133I97.6Very high93.3Very high0 Ų027.5 Ų27.50%015%0.153CC..EExtended strand (participates in β ladder)trans-117.4129174.3-56.9175000106.7W57 S72 W73 V87 F89 A116 L119 K120 V131W57-I133 HydrophobicContact CH2-CB 4.4Å; W57-I133 HydrophobicContact CH2-CG2 3.97Å; S72-I133 CarbonylContact C-O 3.6Å; S72-I133 WeakPolarHBondContact CA-O 3.14Å; W73-I133 HydrophobicContact CE3-CB 4.37Å; W73-I133 HydrophobicContact CE3-CD1 3.74Å; W73-I133 HydrophobicContact CE3-CG1 3.98Å; W73-I133 HydrophobicContact CZ3-CD1 3.96Å; W73-I133 HydrophobicContact CZ3-CG1 4.37Å; W73-I133 PolarHBondContact N-O 2.7Å; W73-I133 PolarHBondContact O-N 3.01Å; V87-I133 WeakPolarHBondContact O-CA 3.33Å; F89-I133 HydrophobicContact CD2-CG2 4.1Å; F89-I133 HydrophobicContact CE2-CG2 4.13Å; A116-I133 HydrophobicContact CB-CG2 4Å; L119-I133 HydrophobicContact CB-CD1 3.99Å; L119-I133 HydrophobicContact CD2-CD1 4.04Å; L119-I133 HydrophobicContact CD2-CG1 4.08Å; L119-I133 HydrophobicContact CG-CD1 3.83Å; L119-I133 HydrophobicContact CG-CG1 4.4Å; K120-I133 VanDerWaalsContact CA-CD1 3.47Å; K120-I133 HydrophobicContact CB-CD1 3.86Å; K120-I133 VanDerWaalsContact N-CD1 3.28Å; V131-I133 HydrophobicContact CG1-CG1 4.23Å
134T98.3Very high93Very high0 Ų031.1 Ų31.10%017%0.172CC..EExtended strand (participates in β ladder)trans-120.8135.5175.6-57.30000108.7R70 A71 N86 V87 G88 F89 L136R70-T134 HydrophobicContact CG-CG2 4.03Å; A71-T134 CarbonylContact O-C 3.5Å; A71-T134 WeakPolarHBondContact O-CA 3.13Å; N86-T134 PolarHBondContact ND2-OG1 3.29Å; N86-T134 VanDerWaalsContact ND2-OG1 3.16Å; N86-T134 PolarHBondContact OD1-OG1 2.99Å; V87-T134 PolarHBondContact O-N 3.31Å; G88-T134 CarbonylContact C-O 3.42Å; G88-T134 WeakPolarHBondContact CA-O 3.44Å; F89-T134 PolarHBondContact N-O 3.37Å; T134-L136 HydrophobicContact CG2-CD2 4Å; T134-L136 HydrophobicContact CG2-CG 4.04Å
135V98.8Very high93.1Very high0 Ų026.3 Ų26.30%015%0.149CC..EExtended strand (participates in β ladder)trans-114.1126167.9-179.80000106.5F50 W57 F69 R70 A71 F89 A116F50-V135 HydrophobicContact CE1-CB 4.43Å; F50-V135 HydrophobicContact CE1-CG2 3.83Å; F50-V135 HydrophobicContact CE2-CB 4.18Å; F50-V135 HydrophobicContact CE2-CG1 3.73Å; F50-V135 HydrophobicContact CE2-CG2 4.3Å; F50-V135 HydrophobicContact CZ-CB 3.86Å; F50-V135 HydrophobicContact CZ-CG1 3.72Å; F50-V135 HydrophobicContact CZ-CG2 3.49Å; F50-V135 VanDerWaalsContact CZ-CG2 3.49Å; W57-V135 HydrophobicContact CH2-CG2 4.35Å; W57-V135 HydrophobicContact CZ3-CG2 4.22Å; F69-V135 HydrophobicContact CE2-CB 4.49Å; F69-V135 HydrophobicContact CE2-CG1 4Å; F69-V135 HydrophobicContact CZ-CG1 4Å; R70-V135 WeakPolarHBondContact CA-O 3.31Å; A71-V135 HydrophobicContact CB-CB 4.29Å; A71-V135 PolarHBondContact N-O 3.45Å; A71-V135 PolarHBondContact O-N 3.38Å; F89-V135 HydrophobicContact CB-CG2 4.47Å; F89-V135 VanDerWaalsContact O-CA 3.31Å; F89-V135 WeakPolarHBondContact O-CA 3.47Å; A116-V135 HydrophobicContact CB-CG2 3.27Å
136L98.8Very high93.2Very high1 Ų124.4 Ų24.41%0.00514%0.137CC..EExtended strand (participates in β ladder)trans-111.2122.4175.8-64.8173.3000108.6F69 R70 F89 L90 C91 T134 T138 F156F69-L136 WeakPolarHBondContact O-CA 3.3Å; R70-L136 HydrophobicContact CB-CD2 3.97Å; R70-L136 HydrophobicContact CG-CD2 3.88Å; F89-L136 PolarHBondContact O-N 3.17Å; L90-L136 HydrophobicContact CD2-CB 3.75Å; L90-L136 HydrophobicContact CD2-CD1 4.12Å; L90-L136 HydrophobicContact CD2-CG 4.43Å; C91-L136 PolarHBondContact N-O 3Å; T134-L136 HydrophobicContact CG2-CD2 4Å; T134-L136 HydrophobicContact CG2-CG 4.04Å; L136-T138 HydrophobicContact CB-CG2 4.26Å; L136-F156 HydrophobicContact CD1-CD1 3.9Å; L136-F156 HydrophobicContact CD1-CE1 3.69Å; L136-F156 HydrophobicContact CD1-CG 4.43Å; L136-F156 HydrophobicContact CD1-CZ 4.04Å
137G98.6Very high93.6Very high0 Ų023.7 Ų23.70%013%0.134CC..EExtended strand (participates in β ladder)trans-78.9120164.400000110A68 F69 Y93A68-G137 WeakPolarHBondContact CA-O 3.42Å; A68-G137 WeakPolarHBondContact CB-O 3.48Å; F69-G137 VanDerWaalsContact CD1-CA 3.49Å; F69-G137 PolarHBondContact O-N 2.63Å; Y93-G137 VanDerWaalsContact OH-C 3.24Å; Y93-G137 WeakPolarHBondContact OH-CA 3.49Å
138T98.3Very high94.4Very high0 Ų020.3 Ų20.30%011%0.112CC..  trans-118.397.6-172.556.50000109.4L90 C91 E92 L136 K147 L150L90-T138 HydrophobicContact CD2-CG2 3.97Å; C91-T138 PolarHBondContact O-N 2.93Å; C91-T138 PolarHBondContact O-OG1 3.41Å; E92-T138 WeakPolarHBondContact CG-OG1 3.46Å; L136-T138 HydrophobicContact CB-CG2 4.26Å; T138-K147 HydrophobicContact CG2-CD 4.19Å; T138-K147 HydrophobicContact CG2-CG 3.67Å; T138-K147 VanDerWaalsContact OG1-CE 3.25Å; T138-K147 WeakPolarHBondContact OG1-CE 3.4Å; T138-K147 PolarHBondContact OG1-NZ 3.14Å; T138-L150 HydrophobicContact CG2-CD1 3.9Å
139P97.5Very high95.1Very high3 Ų317.8 Ų17.82%0.01910%0.101CC..  trans-76.1171-178.232.3-36000112.3E39 L65 T67 A68 Y93 E141 G146E39-P139 WeakPolarHBondContact OE1-CB 3.49Å; E39-P139 WeakPolarHBondContact OE2-CB 3.29Å; L65-P139 HydrophobicContact CD1-CG 3.97Å; T67-P139 VanDerWaalsContact OG1-CB 3.27Å; T67-P139 WeakPolarHBondContact OG1-CB 3.13Å; A68-P139 HydrophobicContact CB-CG 4.22Å; Y93-P139 HydrophobicContact CE2-CB 4.23Å; P139-E141 PolarHBondContact O-N 3Å; P139-G146 VanDerWaalsContact O-CA 3.29Å; P139-G146 WeakPolarHBondContact O-CA 3.29Å; P139-G146 PolarHBondContact O-N 3.07Å
140A96.1Very high95.7Very high4 Ų416 Ų163%0.0339%0.092CC..  trans56.537.1162.400000116.8A36 E39 D94 E142 I144 G145A36-A140 HydrophobicContact CB-CB 3.77Å; E39-A140 WeakPolarHBondContact OE1-CA 3.12Å; E39-A140 PolarHBondContact OE1-N 2.85Å; D94-A140 WeakPolarHBondContact OD2-CA 3.2Å; A140-E142 VanDerWaalsContact C-N 3.3Å; A140-E142 PolarHBondContact O-N 3.4Å; A140-I144 HydrophobicContact CB-CB 3.84Å; A140-I144 HydrophobicContact CB-CD1 4.01Å; A140-I144 HydrophobicContact CB-CG1 4.14Å; A140-I144 PolarHBondContact O-N 3.32Å; A140-G145 PolarHBondContact O-N 2.81Å
141E96.3Very high96.1Very high9 Ų916.4 Ų16.44%0.0429%0.092CC..THydrogen-bonded Turntrans-65.6-32.8176.6-170.7-89.9-179.100112.1E92 D94 H105 P139 A143 Y291 T326 D327E92-E141 HydrophobicContact CG-CB 4.37Å; E92-E141 WeakPolarHBondContact OE1-CG 3.34Å; D94-E141 PolarHBondContact OD2-N 3.05Å; H105-E141 IonicContact CE1-OE2 3.49Å; P139-E141 PolarHBondContact O-N 3Å; E141-A143 VanDerWaalsContact C-N 3.29Å; E141-A143 PolarHBondContact O-N 3.01Å; E141-Y291 VanDerWaalsContact O-CE2 3.23Å; E141-Y291 WeakPolarHBondContact O-CE2 3.4Å; E141-Y291 VanDerWaalsContact O-CZ 3.29Å; E141-Y291 PolarHBondContact O-OH 3.06Å; E141-T326 WeakPolarHBondContact OE1-CA 3.44Å; E141-T326 WeakPolarHBondContact OE1-CB 3.21Å; E141-T326 PolarHBondContact OE1-OG1 2.89Å; E141-D327 WeakPolarHBondContact CG-OD1 3.42Å
142E92.9Very high96.4Very high49 Ų4922.9 Ų22.923%0.22912%0.122CC..THydrogen-bonded Turntrans-77.5-8.7-172.8-71.1-77.2-161.200114.4D94 L96 C103 H105 A140 H351D94-E142 WeakPolarHBondContact OD2-CB 3.47Å; D94-E142 PolarHBondContact OD2-N 3.35Å; L96-E142 HydrophobicContact CD2-CB 4.02Å; L96-E142 HydrophobicContact CD2-CG 3.89Å; L96-E142 HydrophobicContact CG-CG 4.2Å; C103-E142 WeakPolarHBondContact CB-OE1 3.42Å; C103-E142 PolarHBondContact SG-OE1 2.9Å; C103-E142 VanDerWaalsContact SG-OE1 3.4Å; H105-E142 IonicContact CE1-OE1 2.77Å; H105-E142 IonicContact NE2-OE1 3.84Å; A140-E142 VanDerWaalsContact C-N 3.3Å; A140-E142 PolarHBondContact O-N 3.4Å; E142-H351 IonicContact OE1-CE1 3.86Å; E142-H351 IonicContact OE1-NE2 3.77Å; E142-H351 PolarHBondContact OE1-NE2 2.88Å; E142-H351 IonicContact OE2-CE1 3.92Å; E142-H351 PolarHBondContact OE2-CE1 3.38Å; E142-H351 IonicContact OE2-NE2 3.47Å
143A87Confident96.5Very high54 Ų5422.9 Ų22.945%0.44613%0.129SC..THydrogen-bonded Turntrans-147.8-48.8-175.200000115.8A36 E141A36-A143 HydrophobicContact CB-CB 3.76Å; E141-A143 VanDerWaalsContact C-N 3.29Å; E141-A143 PolarHBondContact O-N 3.01Å
144I89.1Confident96.5Very high76 Ų7624.5 Ų24.539%0.3915%0.146SC..THydrogen-bonded Turntrans-94.3-38-169.3-56.2173.5000110.2A140 H289A140-I144 HydrophobicContact CB-CB 3.84Å; A140-I144 HydrophobicContact CB-CD1 4.01Å; A140-I144 HydrophobicContact CB-CG1 4.14Å; A140-I144 PolarHBondContact O-N 3.32Å; I144-H289 PolarHBondContact O-CD2 3.34Å
145G94.5Very high96.5Very high0 Ų024.5 Ų24.50%015%0.146CC..  trans86.355.7-174.300000110.6A140 K147 I148 Y291 D327A140-G145 PolarHBondContact O-N 2.81Å; G145-K147 PolarHBondContact O-N 2.95Å; G145-K147 VanDerWaalsContact O-N 3.1Å; G145-I148 WeakPolarHBondContact O-CA 3.45Å; G145-I148 VanDerWaalsContact O-CB 3.26Å; G145-I148 WeakPolarHBondContact O-CB 3.43Å; G145-I148 PolarHBondContact O-N 2.84Å; G145-Y291 WeakPolarHBondContact CA-OH 3.37Å; G145-Y291 PolarHBondContact N-OH 2.96Å; G145-D327 VanDerWaalsContact C-OD2 3.23Å; G145-D327 WeakPolarHBondContact CA-OD2 3.4Å
146G96.8Very high96.4Very high1 Ų124.7 Ų24.71%0.0115%0.147CC..Hα-helixtrans-59.1-25.5-17300000113.9P139 I148 D149 L150 D327P139-G146 VanDerWaalsContact O-CA 3.29Å; P139-G146 WeakPolarHBondContact O-CA 3.29Å; P139-G146 PolarHBondContact O-N 3.07Å; G146-I148 PolarHBondContact O-N 3.36Å; G146-D149 PolarHBondContact O-N 3.46Å; G146-L150 VanDerWaalsContact O-CG 3.31Å; G146-L150 WeakPolarHBondContact O-CG 3.47Å; G146-L150 PolarHBondContact O-N 3.23Å; G146-D327 PolarHBondContact N-OD2 3.3Å
147K98.3Very high96.3Very high0 Ų029.1 Ų29.10%018%0.184CC..Hα-helixtrans-64.5-31.9172.2-64.8178-158.156.90111.8L90 E92 T138 G145 L150 I151 F156 D327 V331L90-K147 HydrophobicContact CD1-CD 4.04Å; E92-K147 WeakPolarHBondContact OE1-CE 3.28Å; E92-K147 IonicContact OE1-NZ 3.3Å; E92-K147 PolarHBondContact OE1-NZ 3.5Å; T138-K147 HydrophobicContact CG2-CD 4.19Å; T138-K147 HydrophobicContact CG2-CG 3.67Å; T138-K147 VanDerWaalsContact OG1-CE 3.25Å; T138-K147 WeakPolarHBondContact OG1-CE 3.4Å; T138-K147 PolarHBondContact OG1-NZ 3.14Å; G145-K147 PolarHBondContact O-N 2.95Å; G145-K147 VanDerWaalsContact O-N 3.1Å; K147-L150 PolarHBondContact O-N 2.7Å; K147-I151 WeakPolarHBondContact O-CB 3.47Å; K147-I151 WeakPolarHBondContact O-CG1 2.89Å; K147-I151 PolarHBondContact O-N 3.33Å; K147-F156 HydrophobicContact CB-CZ 4.49Å; K147-D327 HydrophobicContact CB-CB 4.24Å; K147-D327 VanDerWaalsContact CB-OD2 3.28Å; K147-D327 WeakPolarHBondContact CB-OD2 3.32Å; K147-D327 WeakPolarHBondContact CD-OD1 3.33Å; K147-D327 VanDerWaalsContact CE-OD1 3.3Å; K147-D327 WeakPolarHBondContact CE-OD1 3.26Å; K147-D327 WeakPolarHBondContact CG-OD2 3.41Å; K147-D327 PolarHBondContact N-OD2 3.45Å; K147-D327 IonicContact NZ-OD1 3.71Å; K147-D327 PolarHBondContact NZ-OD1 2.96Å; K147-D327 IonicContact NZ-OD2 3.87Å; K147-V331 HydrophobicContact CB-CG2 3.85Å; K147-V331 HydrophobicContact CD-CG2 3.81Å; K147-V331 HydrophobicContact CG-CG2 4.26Å
148I97.9Very high96.1Very high14 Ų1432.3 Ų32.37%0.07220%0.201CC..Hα-helixtrans-69.9-40.8-179.7-59.3167.4000110G145 G146 I151 Q152 H289 Y291 D327 N330G145-I148 WeakPolarHBondContact O-CA 3.45Å; G145-I148 VanDerWaalsContact O-CB 3.26Å; G145-I148 WeakPolarHBondContact O-CB 3.43Å; G145-I148 PolarHBondContact O-N 2.84Å; G146-I148 PolarHBondContact O-N 3.36Å; I148-I151 WeakPolarHBondContact O-CB 3.37Å; I148-I151 PolarHBondContact O-N 3.49Å; I148-Q152 WeakPolarHBondContact O-CG 3.38Å; I148-Q152 PolarHBondContact O-N 3.33Å; I148-H289 HydrophobicContact CB-CB 4.19Å; I148-H289 HydrophobicContact CD1-CB 3.37Å; I148-H289 HydrophobicContact CG1-CB 4.35Å; I148-H289 HydrophobicContact CG2-CB 4.03Å; I148-Y291 HydrophobicContact CD1-CD1 3.89Å; I148-Y291 HydrophobicContact CD1-CE1 4.14Å; I148-D327 HydrophobicContact CD1-CB 4.04Å; I148-D327 HydrophobicContact CG1-CB 4.11Å; I148-N330 HydrophobicContact CD1-CB 4.3Å; I148-N330 VanDerWaalsContact CD1-CG 3.5Å; I148-N330 WeakPolarHBondContact CD1-ND2 3.41Å; I148-N330 HydrophobicContact CG1-CB 3.77Å
149D97.6Very high96Very high43 Ų4332.8 Ų32.823%0.2320%0.204CC..Hα-helixtrans-64.5-42.6172.1-65.8-40000111.6L65 G146 I151 Q152 A153 H289L65-D149 HydrophobicContact CD1-CB 4.08Å; L65-D149 HydrophobicContact CD2-CB 3.9Å; L65-D149 HydrophobicContact CG-CB 4.46Å; G146-D149 PolarHBondContact O-N 3.46Å; D149-I151 VanDerWaalsContact C-N 3.31Å; D149-I151 PolarHBondContact O-N 3.45Å; D149-Q152 WeakPolarHBondContact O-CB 3.18Å; D149-Q152 PolarHBondContact O-N 3.41Å; D149-Q152 VanDerWaalsContact O-N 3.14Å; D149-A153 PolarHBondContact O-N 3.09Å; D149-H289 IonicContact OD1-CD2 3.91Å; D149-H289 IonicContact OD1-CE1 3.9Å; D149-H289 PolarHBondContact OD1-CE1 3.2Å; D149-H289 IonicContact OD1-NE2 3.79Å; D149-H289 PolarHBondContact OD1-NE2 3.16Å; D149-H289 IonicContact OD2-NE2 3.64Å
150L98.4Very high96.1Very high1 Ų133.9 Ų33.91%0.00521%0.209CC..Hα-helixtrans-62.3-36.4174.7-71.8174.8000112.6E64 L65 A68 T138 G146 K147 A153 G154 A155 F156E64-L150 HydrophobicContact CB-CD2 3.94Å; L65-L150 HydrophobicContact CD1-CD1 4.48Å; L65-L150 HydrophobicContact CD1-CD2 4Å; L65-L150 HydrophobicContact CD1-CG 3.79Å; L65-L150 HydrophobicContact CG-CD2 3.97Å; L65-L150 HydrophobicContact CG-CG 4.3Å; A68-L150 HydrophobicContact CB-CD1 4.3Å; A68-L150 HydrophobicContact CB-CD2 3.95Å; T138-L150 HydrophobicContact CG2-CD1 3.9Å; G146-L150 VanDerWaalsContact O-CG 3.31Å; G146-L150 WeakPolarHBondContact O-CG 3.47Å; G146-L150 PolarHBondContact O-N 3.23Å; K147-L150 PolarHBondContact O-N 2.7Å; L150-A153 PolarHBondContact O-N 3.37Å; L150-G154 PolarHBondContact O-N 2.99Å; L150-A155 HydrophobicContact CB-CB 3.87Å; L150-A155 HydrophobicContact CD2-CB 4.18Å; L150-A155 WeakPolarHBondContact O-CB 3.4Å; L150-A155 PolarHBondContact O-N 3.38Å; L150-F156 HydrophobicContact CB-CD2 4.47Å; L150-F156 HydrophobicContact CB-CE2 3.76Å
151I98.4Very high96.2Very high42 Ų4233.7 Ų33.722%0.21521%0.208CC..Hα-helixtrans-60.6-48172.1-72.6166.3000110K147 I148 D149 A153 G154 F156 N330 V331 I334K147-I151 WeakPolarHBondContact O-CB 3.47Å; K147-I151 WeakPolarHBondContact O-CG1 2.89Å; K147-I151 PolarHBondContact O-N 3.33Å; I148-I151 WeakPolarHBondContact O-CB 3.37Å; I148-I151 PolarHBondContact O-N 3.49Å; D149-I151 VanDerWaalsContact C-N 3.31Å; D149-I151 PolarHBondContact O-N 3.45Å; I151-A153 VanDerWaalsContact C-N 3.28Å; I151-A153 PolarHBondContact O-N 3.06Å; I151-G154 PolarHBondContact O-N 3.1Å; I151-F156 HydrophobicContact CB-CD2 4.42Å; I151-F156 HydrophobicContact CG1-CD2 3.61Å; I151-F156 HydrophobicContact CG1-CE2 3.75Å; I151-F156 HydrophobicContact CG1-CG 4.45Å; I151-N330 HydrophobicContact CD1-CB 3.89Å; I151-V331 HydrophobicContact CD1-CG2 4.06Å; I151-I334 HydrophobicContact CB-CD1 4.39Å; I151-I334 HydrophobicContact CD1-CD1 4.16Å; I151-I334 HydrophobicContact CD1-CG1 4.35Å; I151-I334 HydrophobicContact CG1-CD1 3.67Å; I151-I334 HydrophobicContact CG1-CG1 4.4Å; I151-I334 HydrophobicContact CG2-CD1 4.04Å
152Q97.8Very high96.3Very high138 Ų13833.2 Ų33.265%0.64521%0.206SC*.Hα-helixtrans-64-33.9179.9-68.317219.500112.4I148 D149 G154I148-Q152 WeakPolarHBondContact O-CG 3.38Å; I148-Q152 PolarHBondContact O-N 3.33Å; D149-Q152 WeakPolarHBondContact O-CB 3.18Å; D149-Q152 PolarHBondContact O-N 3.41Å; D149-Q152 VanDerWaalsContact O-N 3.14Å; Q152-G154 PolarHBondContact O-N 3.49Å
153A97.9Very high96.6Very high45 Ų4530.9 Ų30.937%0.37220%0.195SC..THydrogen-bonded Turntrans-76.4-5.8173.900000113.9E64 D149 L150 I151E64-A153 HydrophobicContact CB-CB 3.64Å; E64-A153 HydrophobicContact CG-CB 3.66Å; D149-A153 PolarHBondContact O-N 3.09Å; L150-A153 PolarHBondContact O-N 3.37Å; I151-A153 VanDerWaalsContact C-N 3.28Å; I151-A153 PolarHBondContact O-N 3.06Å
154G97.3Very high97.1Very high34 Ų3428.4 Ų28.435%0.35117%0.174SC..THydrogen-bonded Turntrans81.716.7178.100000114.8L150 I151 Q152 F156 A157L150-G154 PolarHBondContact O-N 2.99Å; I151-G154 PolarHBondContact O-N 3.1Å; Q152-G154 PolarHBondContact O-N 3.49Å; G154-F156 PolarHBondContact O-N 3.49Å; G154-F156 VanDerWaalsContact O-N 3.1Å; G154-A157 WeakPolarHBondContact O-CB 3.42Å; G154-A157 PolarHBondContact O-N 2.9Å; G154-A157 VanDerWaalsContact O-N 3.12Å
155A97.6Very high97.6Very high0 Ų024.8 Ų24.80%016%0.156CC..THydrogen-bonded Turntrans-57.3-27.5-17800000114.2Y63 R70 L150Y63-A155 HydrophobicContact CD1-CB 4.46Å; Y63-A155 HydrophobicContact CE1-CB 3.7Å; R70-A155 PolarHBondContact NH1-O 2.97Å; L150-A155 HydrophobicContact CB-CB 3.87Å; L150-A155 HydrophobicContact CD2-CB 4.18Å; L150-A155 WeakPolarHBondContact O-CB 3.4Å; L150-A155 PolarHBondContact O-N 3.38Å
156F98Very high97.8Very high4 Ų425.5 Ų25.52%0.01816%0.159CC..THydrogen-bonded Turntrans-98.5-3.8-176.3-64.7-91.8000113.9L90 L136 K147 L150 I151 G154 D158 V159 I162 V331 I334 V335L90-F156 HydrophobicContact CD1-CE1 4.47Å; L90-F156 HydrophobicContact CD2-CE1 3.92Å; L90-F156 HydrophobicContact CD2-CZ 4.37Å; L136-F156 HydrophobicContact CD1-CD1 3.9Å; L136-F156 HydrophobicContact CD1-CE1 3.69Å; L136-F156 HydrophobicContact CD1-CG 4.43Å; L136-F156 HydrophobicContact CD1-CZ 4.04Å; K147-F156 HydrophobicContact CB-CZ 4.49Å; L150-F156 HydrophobicContact CB-CD2 4.47Å; L150-F156 HydrophobicContact CB-CE2 3.76Å; I151-F156 HydrophobicContact CB-CD2 4.42Å; I151-F156 HydrophobicContact CG1-CD2 3.61Å; I151-F156 HydrophobicContact CG1-CE2 3.75Å; I151-F156 HydrophobicContact CG1-CG 4.45Å; G154-F156 PolarHBondContact O-N 3.49Å; G154-F156 VanDerWaalsContact O-N 3.1Å; F156-D158 PolarHBondContact O-N 3.24Å; F156-D158 VanDerWaalsContact O-N 3.11Å; F156-V159 PolarHBondContact O-N 3.39Å; F156-I162 HydrophobicContact CE1-CD1 4.36Å; F156-V331 HydrophobicContact CD1-CG1 3.79Å; F156-V331 HydrophobicContact CE1-CB 4.41Å; F156-V331 HydrophobicContact CE1-CG1 3.57Å; F156-V331 HydrophobicContact CE1-CG2 3.86Å; F156-V331 HydrophobicContact CE2-CG2 4.31Å; F156-V331 HydrophobicContact CZ-CG1 4.26Å; F156-V331 HydrophobicContact CZ-CG2 3.69Å; F156-I334 HydrophobicContact CB-CD1 3.52Å; F156-I334 HydrophobicContact CD2-CD1 4.33Å; F156-I334 HydrophobicContact CG-CD1 3.99Å; F156-V335 HydrophobicContact CB-CG2 4.09Å
157A95.6Very high97.8Very high95 Ų9525.5 Ų25.579%0.78516%0.158SC*.THydrogen-bonded Turntrans-63-24.2-16800000114.5G154G154-A157 WeakPolarHBondContact O-CB 3.42Å; G154-A157 PolarHBondContact O-N 2.9Å; G154-A157 VanDerWaalsContact O-N 3.12Å
158D94.8Very high97.6Very high66 Ų6626 Ų2635%0.35316%0.163SC..THydrogen-bonded Turntrans-107.39.8179.172.5-29.6000113.4R70 N86 F156R70-D158 IonicContact CZ-OD1 2.65Å; R70-D158 IonicContact CZ-OD2 2.71Å; R70-D158 IonicContact NH1-OD1 2.59Å; R70-D158 PolarHBondContact NH1-OD1 3.46Å; R70-D158 IonicContact NH1-OD2 3.5Å; R70-D158 IonicContact NH2-OD1 3.53Å; R70-D158 PolarHBondContact NH2-OD1 3.19Å; R70-D158 IonicContact NH2-OD2 3.77Å; R70-D158 PolarHBondContact NH2-OD2 2.92Å; N86-D158 WeakPolarHBondContact CB-O 3.43Å; N86-D158 PolarHBondContact ND2-O 3.47Å; F156-D158 PolarHBondContact O-N 3.24Å; F156-D158 VanDerWaalsContact O-N 3.11Å
159V97.2Very high97.4Very high10 Ų1028.3 Ų28.36%0.06117%0.174CC..  trans-93.8129.9178.6-176.40000110F156 L161 I162 V335F156-V159 PolarHBondContact O-N 3.39Å; V159-L161 WeakPolarHBondContact CG1-O 3.49Å; V159-I162 HydrophobicContact CG1-CB 4.45Å; V159-I162 HydrophobicContact CG1-CD1 4.01Å; V159-V335 HydrophobicContact CB-CG1 4.46Å; V159-V335 HydrophobicContact CG1-CG1 4.08Å
160D97.9Very high97.2Very high26 Ų2630.9 Ų30.914%0.13918%0.184CC..SBendtrans-98.8-27.8-176.8-69.2-59.8000114.3R83 L85 N86 P336R83-D160 IonicContact CZ-OD1 3.22Å; R83-D160 IonicContact CZ-OD2 3.23Å; R83-D160 VanDerWaalsContact CZ-OD2 3.23Å; R83-D160 VanDerWaalsContact NH1-CG 3.33Å; R83-D160 IonicContact NH1-OD1 3.02Å; R83-D160 PolarHBondContact NH1-OD1 3.19Å; R83-D160 IonicContact NH1-OD2 2.85Å; R83-D160 PolarHBondContact NH1-OD2 3.39Å; R83-D160 IonicContact NH2-OD1 3.71Å; R83-D160 PolarHBondContact NH2-OD1 3.08Å; R83-D160 IonicContact NH2-OD2 2.99Å; R83-D160 PolarHBondContact NH2-OD2 2.91Å; L85-D160 WeakPolarHBondContact CA-OD2 3.5Å; L85-D160 HydrophobicContact CD1-CB 3.55Å; L85-D160 HydrophobicContact CG-CB 4Å; N86-D160 PolarHBondContact N-OD2 3.12Å; N86-D160 WeakPolarHBondContact O-CB 3.22Å; N86-D160 PolarHBondContact O-N 2.63Å; D160-P336 WeakPolarHBondContact O-CG 3.41Å
161L98.5Very high97.1Very high0 Ų031.4 Ų31.40%019%0.187CC..EExtended strand (participates in β ladder)trans-144.8135.8177.5-63.5172.4000108L85 N86 V87 G88 V159 F163 P336 V382 L389 V392L85-L161 HydrophobicContact CD2-CD1 3.97Å; N86-L161 PolarHBondContact O-N 2.91Å; V87-L161 HydrophobicContact CG2-CD1 4.44Å; G88-L161 PolarHBondContact N-O 3.07Å; V159-L161 WeakPolarHBondContact CG1-O 3.49Å; L161-F163 HydrophobicContact CB-CD2 4.5Å; L161-F163 HydrophobicContact CB-CE2 3.75Å; L161-F163 HydrophobicContact CD1-CE2 4.43Å; L161-P336 WeakPolarHBondContact CA-O 3.37Å; L161-P336 HydrophobicContact CD2-CB 4.45Å; L161-P336 HydrophobicContact CD2-CG 4.07Å; L161-V382 HydrophobicContact CD1-CB 4.38Å; L161-V382 HydrophobicContact CD1-CG1 3.63Å; L161-L389 HydrophobicContact CD1-CD1 4.11Å; L161-L389 HydrophobicContact CD2-CD1 4.14Å; L161-L389 HydrophobicContact CG-CD1 4.39Å; L161-V392 HydrophobicContact CD2-CG1 3.59Å
162I98.6Very high97Very high0 Ų029.5 Ų29.50%018%0.177CC..EExtended strand (participates in β ladder)trans-122.1135.6179.3-162.776000112.2G88 L90 F156 V159 F328 V331 V335 P336 G337 I338G88-I162 WeakPolarHBondContact O-CA 3.44Å; L90-I162 HydrophobicContact CD1-CD1 4.42Å; L90-I162 HydrophobicContact CD1-CG1 3.92Å; L90-I162 HydrophobicContact CD2-CD1 3.52Å; L90-I162 HydrophobicContact CD2-CG1 3.96Å; L90-I162 HydrophobicContact CG-CD1 3.81Å; L90-I162 HydrophobicContact CG-CG1 3.74Å; F156-I162 HydrophobicContact CE1-CD1 4.36Å; V159-I162 HydrophobicContact CG1-CB 4.45Å; V159-I162 HydrophobicContact CG1-CD1 4.01Å; I162-F328 HydrophobicContact CG2-CE2 4.25Å; I162-F328 HydrophobicContact CG2-CZ 4.05Å; I162-V331 HydrophobicContact CG1-CG1 4.29Å; I162-V331 HydrophobicContact CG2-CG1 3.89Å; I162-V335 HydrophobicContact CB-CG1 3.95Å; I162-V335 HydrophobicContact CG2-CB 4.18Å; I162-V335 HydrophobicContact CG2-CG1 3.96Å; I162-P336 PolarHBondContact N-O 2.88Å; I162-G337 CarbonylContact O-C 3.55Å; I162-G337 WeakPolarHBondContact O-CA 3.28Å; I162-I338 PolarHBondContact O-N 3.05Å
163F98.9Very high96.9Very high0 Ų024.5 Ų24.50%016%0.158CC..EExtended strand (participates in β ladder)trans-127.7134.2-177.1-66.7-95.6000110.4V87 G88 F89 L90 L161 L300 I338 L375 T378 A379V87-F163 HydrophobicContact CG1-CD2 3.73Å; V87-F163 HydrophobicContact CG1-CE2 3.68Å; G88-F163 PolarHBondContact O-N 3.23Å; F89-F163 VanDerWaalsContact CA-O 3.29Å; F89-F163 WeakPolarHBondContact CA-O 3.45Å; F89-F163 HydrophobicContact CD1-CB 3.62Å; F89-F163 HydrophobicContact CD1-CG 4.49Å; F89-F163 HydrophobicContact CE1-CB 3.66Å; F89-F163 HydrophobicContact CE1-CD2 4.36Å; F89-F163 HydrophobicContact CE1-CG 4.08Å; L90-F163 PolarHBondContact N-O 3.46Å; L161-F163 HydrophobicContact CB-CD2 4.5Å; L161-F163 HydrophobicContact CB-CE2 3.75Å; L161-F163 HydrophobicContact CD1-CE2 4.43Å; F163-L300 HydrophobicContact CE1-CD2 4.01Å; F163-L300 HydrophobicContact CZ-CD2 3.94Å; F163-I338 HydrophobicContact CD1-CG2 3.45Å; F163-I338 VanDerWaalsContact CD1-CG2 3.45Å; F163-I338 HydrophobicContact CE1-CG2 3.88Å; F163-I338 HydrophobicContact CG-CG2 4.32Å; F163-L375 HydrophobicContact CB-CD2 4.36Å; F163-L375 HydrophobicContact CD1-CD2 4.14Å; F163-T378 HydrophobicContact CE1-CG2 3.92Å; F163-A379 HydrophobicContact CE1-CB 4.5Å; F163-A379 HydrophobicContact CE2-CB 4.05Å; F163-A379 HydrophobicContact CZ-CB 3.98Å
164M98.6Very high96.7Very high1 Ų126 Ų261%0.00516%0.156CC..  trans-147.7157.8171.9-172.3178.9144.900107.2L90 E92 I108 F328 I338 H339 P340L90-M164 HydrophobicContact CB-CB 4.1Å; L90-M164 HydrophobicContact CB-CG 4.05Å; L90-M164 HydrophobicContact CB-SD 4Å; L90-M164 HydrophobicContact CD1-CB 4.49Å; L90-M164 HydrophobicContact CD1-SD 4.16Å; E92-M164 HydrophobicContact CG-CE 4.02Å; E92-M164 WeakPolarHBondContact OE1-CE 3.46Å; E92-M164 WeakPolarHBondContact OE2-CE 3.33Å; I108-M164 HydrophobicContact CD1-CE 4.06Å; I108-M164 HydrophobicContact CG2-CE 3.81Å; I108-M164 HydrophobicContact CG2-CG 4.1Å; M164-F328 HydrophobicContact CB-CD2 3.92Å; M164-F328 HydrophobicContact CB-CE2 3.69Å; M164-F328 HydrophobicContact CG-CD2 4.48Å; M164-F328 HydrophobicContact SD-CB 4.46Å; M164-F328 HydrophobicContact SD-CD2 3.68Å; M164-F328 HydrophobicContact SD-CE2 4.39Å; M164-F328 HydrophobicContact SD-CG 4.41Å; M164-I338 PolarHBondContact N-O 2.97Å; M164-I338 VanDerWaalsContact O-O 3.07Å; M164-H339 VanDerWaalsContact CE-CD2 3.5Å; M164-H339 WeakPolarHBondContact CE-CD2 3.4Å; M164-H339 WeakPolarHBondContact CE-NE2 2.99Å; M164-H339 WeakPolarHBondContact O-CA 3.35Å; M164-P340 WeakPolarHBondContact O-CD 3.36Å
165A98.4Very high96.4Very high1 Ų124.8 Ų24.81%0.00814%0.142CC..  trans-144.1146.1166.500000110.7V111 P340 F342 L375V111-A165 HydrophobicContact CG1-CB 4.21Å; A165-P340 WeakPolarHBondContact CA-O 3.18Å; A165-P340 HydrophobicContact CB-CG 3.99Å; A165-F342 HydrophobicContact CB-CD1 3.96Å; A165-F342 HydrophobicContact CB-CE1 4.18Å; A165-L375 HydrophobicContact CB-CD1 3.73Å; A165-L375 HydrophobicContact CB-CD2 4.31Å; A165-L375 HydrophobicContact CB-CG 4.17Å
166H98.3Very high96Very high15 Ų1527.2 Ų27.27%0.06916%0.157CC..EExtended strand (participates in β ladder)trans-114.6133.9-170.9-166.6-63.8000111.1C103 H339 P340 F341 F342C103-H166 PolarHBondContact O-CE1 3.32Å; C103-H166 PolarHBondContact SG-CE1 2.78Å; C103-H166 PolarHBondContact SG-NE2 3.47Å; C103-H166 VanDerWaalsContact SG-NE2 3.39Å; H166-H339 WeakPolarHBondContact CB-CE1 3.3Å; H166-H339 AromaticContact CD2-CE1 3.94Å; H166-H339 AromaticContact CD2-NE2 3.8Å; H166-H339 AromaticContact CG-CE1 3.91Å; H166-P340 PolarHBondContact N-O 2.88Å; H166-F341 HydrophobicContact CB-CD1 3.79Å; H166-F341 HydrophobicContact CB-CE1 3.89Å; H166-F341 CarbonylContact O-C 3.52Å; H166-F341 WeakPolarHBondContact O-CA 3.37Å; H166-F342 VanDerWaalsContact C-CE1 3.41Å; H166-F342 VanDerWaalsContact O-CD1 3.28Å; H166-F342 WeakPolarHBondContact O-CD1 3.5Å; H166-F342 PolarHBondContact O-N 3.05Å
167P97.6Very high95.7Very high0 Ų027.4 Ų27.40%016%0.159CC..EExtended strand (participates in β ladder)trans-69.4141.3175.530.4-35.8000110.7C103 L107 I108 F342 I344 N350 Y355C103-P167 WeakPolarHBondContact O-CG 3.35Å; L107-P167 HydrophobicContact CB-CG 4.5Å; L107-P167 HydrophobicContact CD1-CB 4.22Å; I108-P167 VanDerWaalsContact CG1-CD 3.4Å; I108-P167 HydrophobicContact CG1-CG 4.31Å; P167-F342 CarbonylContact C-O 3.57Å; P167-F342 WeakPolarHBondContact CA-O 3.41Å; P167-F342 HydrophobicContact CB-CE1 4.17Å; P167-F342 HydrophobicContact CB-CE2 3.99Å; P167-F342 HydrophobicContact CB-CZ 3.74Å; P167-F342 HydrophobicContact CG-CZ 4.37Å; P167-I344 HydrophobicContact CB-CG2 3.45Å; P167-I344 VanDerWaalsContact CB-CG2 3.45Å; P167-N350 PolarHBondContact O-ND2 3.49Å; P167-Y355 WeakPolarHBondContact CB-OH 3.23Å; P167-Y355 PolarHBondContact O-OH 3.11Å; P167-Y355 VanDerWaalsContact O-OH 3.12Å
168A94.6Very high95.5Very high12 Ų1224 Ų2410%0.09913%0.128CC..EExtended strand (participates in β ladder)trans-147.7-176.1178.600000111.2Q170 F341 F342 H343 I344 Y355A168-Q170 VanDerWaalsContact C-N 3.28Å; A168-F341 HydrophobicContact CB-CB 3.87Å; A168-F341 HydrophobicContact CB-CD1 3.96Å; A168-F341 HydrophobicContact CB-CG 4.34Å; A168-F342 PolarHBondContact N-O 2.86Å; A168-H343 WeakPolarHBondContact O-CA 3.15Å; A168-I344 PolarHBondContact O-N 3.02Å; A168-Y355 VanDerWaalsContact CA-OH 3.28Å; A168-Y355 WeakPolarHBondContact CA-OH 3.46Å; A168-Y355 PolarHBondContact N-OH 2.91Å
169Q92.9Very high95.5Very high62 Ų6220.9 Ų20.929%0.2911%0.112SC..SBendtrans-72.4-20172-72.2173-50.600113.1H343 D347 A348 L349Q169-H343 PolarHBondContact O-CE1 3.48Å; Q169-H343 PolarHBondContact O-ND1 3.07Å; Q169-D347 PolarHBondContact NE2-O 3.27Å; Q169-A348 WeakPolarHBondContact CG-O 3.44Å; Q169-A348 PolarHBondContact NE2-O 3.22Å; Q169-L349 VanDerWaalsContact CD-CD2 3.5Å; Q169-L349 VanDerWaalsContact NE2-CD2 3.26Å
170Q93.9Very high95.4Very high96 Ų9621.3 Ų21.345%0.44911%0.113SC..SBendtrans-148.6154.2-174.5-66-177.7-3.200110.1A168 P316 H318A168-Q170 VanDerWaalsContact C-N 3.28Å; Q170-P316 HydrophobicContact CB-CG 4.09Å; Q170-P316 HydrophobicContact CG-CG 4.35Å; Q170-P316 VanDerWaalsContact OE1-CG 3.24Å; Q170-H318 PolarHBondContact OE1-CE1 2.82Å
171D97.1Very high95.2Very high12 Ų1220.2 Ų20.26%0.06411%0.108CC..  trans-72.3137.7171.8-51.5-50.3000109.9M313 V314 F315 P316 H318 F341 F342 H343D171-M313 HydrophobicContact CB-CE 4.01Å; D171-M313 VanDerWaalsContact OD1-CE 3.26Å; D171-M313 WeakPolarHBondContact OD1-CE 3.31Å; D171-M313 WeakPolarHBondContact OD2-CB 3.16Å; D171-V314 VanDerWaalsContact CB-O 3.31Å; D171-V314 WeakPolarHBondContact CB-O 3.29Å; D171-V314 PolarHBondContact OD2-N 2.88Å; D171-F315 HydrophobicContact CB-CD1 3.85Å; D171-F315 HydrophobicContact CB-CE1 3.86Å; D171-F315 HydrophobicContact CB-CG 4.27Å; D171-F315 HydrophobicContact CB-CZ 4.29Å; D171-P316 WeakPolarHBondContact O-CD 3.46Å; D171-H318 PolarHBondContact O-NE2 3.06Å; D171-F341 WeakPolarHBondContact CA-O 3.45Å; D171-F342 VanDerWaalsContact OD1-CA 3.27Å; D171-F342 WeakPolarHBondContact OD1-CA 3.5Å; D171-H343 PolarHBondContact OD1-N 3.46Å
172A96.1Very high95Very high2 Ų222.3 Ų22.32%0.01712%0.117CC..BIsolated β-bridgetrans-146.3134174.100000109.2F174 L175 H318 P340 F341A172-F174 VanDerWaalsContact C-N 3.25Å; A172-L175 HydrophobicContact CB-CD1 4.17Å; A172-L175 HydrophobicContact CB-CD2 3.8Å; A172-L175 HydrophobicContact CB-CG 3.68Å; A172-H318 WeakPolarHBondContact CB-NE2 3.36Å; A172-P340 CarbonylContact O-C 3.56Å; A172-P340 WeakPolarHBondContact O-CA 3.34Å; A172-P340 VanDerWaalsContact O-CB 3.22Å; A172-P340 WeakPolarHBondContact O-CB 3.45Å; A172-F341 HydrophobicContact CB-CB 4.07Å; A172-F341 HydrophobicContact CB-CD2 4.24Å; A172-F341 PolarHBondContact N-O 3.13Å; A172-F341 PolarHBondContact O-N 3.22Å
173S95.5Very high94.9Very high34 Ų3422.3 Ų22.324%0.23812%0.117CC..SBendtrans-74.4-22.3172.651.70000112.3G301S173-G301 WeakPolarHBondContact CB-O 3.42Å
174F94Very high94.9Very high75 Ų7522.7 Ų22.733%0.32912%0.12SC..  trans-161.8136.6176.1177.3-107.8000109.2A172 P176 I294 P296A172-F174 VanDerWaalsContact C-N 3.25Å; F174-P176 HydrophobicContact CE1-CB 4.37Å; F174-P176 HydrophobicContact CE1-CG 3.92Å; F174-I294 HydrophobicContact CE2-CB 4.29Å; F174-I294 HydrophobicContact CE2-CG2 4.01Å; F174-P296 HydrophobicContact CD2-CB 4.39Å; F174-P296 HydrophobicContact CE1-CB 4.31Å; F174-P296 HydrophobicContact CE2-CB 4.01Å; F174-P296 HydrophobicContact CZ-CB 3.96Å
175L91.1Very high94.9Very high10 Ų1022.7 Ų22.75%0.05212%0.12CC..  trans-124.1131.4163.1-63.1175.2000107.7A172 T177 H318 F322 F341A172-L175 HydrophobicContact CB-CD1 4.17Å; A172-L175 HydrophobicContact CB-CD2 3.8Å; A172-L175 HydrophobicContact CB-CG 3.68Å; L175-T177 PolarHBondContact O-N 3.41Å; L175-H318 HydrophobicContact CD2-CB 3.73Å; L175-F322 HydrophobicContact CB-CB 4.14Å; L175-F322 HydrophobicContact CB-CD1 3.87Å; L175-F322 HydrophobicContact CB-CE1 4.42Å; L175-F322 HydrophobicContact CB-CG 3.94Å; L175-F322 HydrophobicContact CD1-CD1 4.33Å; L175-F322 HydrophobicContact CD1-CD2 3.94Å; L175-F322 HydrophobicContact CD1-CE1 4.28Å; L175-F322 HydrophobicContact CD1-CE2 3.89Å; L175-F322 HydrophobicContact CD1-CG 4.16Å; L175-F322 HydrophobicContact CD1-CZ 4.07Å; L175-F341 HydrophobicContact CB-CD2 3.96Å; L175-F341 HydrophobicContact CB-CE2 3.54Å; L175-F341 HydrophobicContact CB-CZ 4.16Å; L175-F341 HydrophobicContact CD1-CB 4.47Å; L175-F341 HydrophobicContact CD1-CD1 4.21Å; L175-F341 HydrophobicContact CD1-CD2 3.62Å; L175-F341 HydrophobicContact CD1-CE1 4.37Å; L175-F341 HydrophobicContact CD1-CE2 3.83Å; L175-F341 HydrophobicContact CD1-CG 3.83Å; L175-F341 HydrophobicContact CD1-CZ 4.19Å; L175-F341 HydrophobicContact CG-CD2 3.65Å; L175-F341 HydrophobicContact CG-CE2 3.78Å; L175-F341 HydrophobicContact CG-CG 4.34Å
176P88.8Confident94.9Very high50 Ų5025.2 Ų25.233%0.32513%0.131SC..  trans-58.1128.8175.6-23.433000111F174 F322F174-P176 HydrophobicContact CE1-CB 4.37Å; F174-P176 HydrophobicContact CE1-CG 3.92Å; P176-F322 CarbonylContact O-C 3.56Å; P176-F322 WeakPolarHBondContact O-CB 3.41Å; P176-F322 WeakPolarHBondContact O-CD1 3.33Å
177T91.2Very high94.9Very high9 Ų924.5 Ų24.56%0.05513%0.128CC..  trans-103.2157.5168.661.30000109.7L175 N293 I294 G324 T326L175-T177 PolarHBondContact O-N 3.41Å; T177-N293 VanDerWaalsContact O-CB 3.31Å; T177-N293 WeakPolarHBondContact O-CB 3.43Å; T177-I294 HydrophobicContact CG2-CD1 3.65Å; T177-I294 HydrophobicContact CG2-CG1 4.11Å; T177-I294 WeakPolarHBondContact OG1-CG1 3.44Å; T177-I294 PolarHBondContact OG1-N 3.17Å; T177-G324 CarbonylContact C-O 3.56Å; T177-G324 WeakPolarHBondContact CA-O 3.47Å; T177-G324 WeakPolarHBondContact CB-O 3.39Å; T177-T326 HydrophobicContact CG2-CG2 4.33Å
178V92.2Very high95Very high24 Ų2427.4 Ų27.415%0.14514%0.141CC..  trans-104.3146.9178.5-61.30000110.7G324 S325V178-G324 PolarHBondContact N-O 3.11Å; V178-S325 WeakPolarHBondContact CG2-OG 3.28Å; V178-S325 PolarHBondContact O-OG 3.31Å
179T94.4Very high95.1Very high0 Ų028.2 Ų28.20%015%0.15CC..EExtended strand (participates in β ladder)trans-69.4138.2167.5-67.20000109.2R253 T254 L257 L260 T290 Y291 N293T179-R253 VanDerWaalsContact O-CA 3.23Å; T179-R253 WeakPolarHBondContact O-CA 3.37Å; T179-T254 WeakPolarHBondContact CB-O 3.46Å; T179-T254 PolarHBondContact N-O 3.24Å; T179-T254 PolarHBondContact O-N 2.87Å; T179-L257 HydrophobicContact CG2-CD1 3.73Å; T179-L257 WeakPolarHBondContact OG1-CA 3.47Å; T179-L257 PolarHBondContact OG1-N 2.99Å; T179-L260 HydrophobicContact CG2-CB 3.81Å; T179-L260 HydrophobicContact CG2-CD1 4.35Å; T179-L260 HydrophobicContact CG2-CD2 3.49Å; T179-L260 VanDerWaalsContact CG2-CD2 3.49Å; T179-L260 HydrophobicContact CG2-CG 4.05Å; T179-T290 HydrophobicContact CG2-CG2 4.12Å; T179-Y291 CarbonylContact C-O 3.3Å; T179-Y291 WeakPolarHBondContact CA-O 3.31Å; T179-Y291 WeakPolarHBondContact CG2-O 3.3Å; T179-N293 PolarHBondContact OG1-N 3.19Å; T179-N293 PolarHBondContact OG1-OD1 2.81Å
180I94.4Very high95.4Very high19 Ų1930.3 Ų30.310%0.09716%0.158CC..EExtended strand (participates in β ladder)trans-136.7140176.8-174.1174.7000111.8Y251 L252 R253 Y291 S325I180-Y251 HydrophobicContact CD1-CD1 3.64Å; I180-Y251 HydrophobicContact CD1-CE1 4.19Å; I180-Y251 HydrophobicContact CD1-CG 3.93Å; I180-Y251 HydrophobicContact CG1-CD1 4.08Å; I180-Y251 HydrophobicContact CG1-CG 4.5Å; I180-L252 CarbonylContact C-O 3.44Å; I180-L252 VanDerWaalsContact CA-O 3.3Å; I180-L252 WeakPolarHBondContact CA-O 3.27Å; I180-R253 HydrophobicContact CB-CG 4.09Å; I180-R253 HydrophobicContact CD1-CG 4.13Å; I180-R253 HydrophobicContact CG1-CG 3.86Å; I180-Y291 HydrophobicContact CG2-CG 4.38Å; I180-Y291 PolarHBondContact N-O 3.29Å; I180-Y291 PolarHBondContact O-N 2.94Å; I180-S325 WeakPolarHBondContact CG2-OG 3.36Å
181A94.8Very high95.6Very high2 Ų228.4 Ų28.42%0.01716%0.159CC..EExtended strand (participates in β ladder)trans-128.1135.6164.200000110.5Y251 L252 L260 Y286A181-Y251 WeakPolarHBondContact O-CA 3.18Å; A181-L252 PolarHBondContact N-O 2.67Å; A181-L252 PolarHBondContact O-N 2.87Å; A181-L260 HydrophobicContact CB-CD1 4.26Å; A181-L260 HydrophobicContact CB-CD2 3.81Å; A181-Y286 HydrophobicContact CB-CD1 4.39Å; A181-Y286 HydrophobicContact CB-CE1 4.43Å
182E94.1Very high95.7Very high44 Ų4428.2 Ų28.221%0.20616%0.159CC..EExtended strand (participates in β ladder)trans-89.1142168.5-168.7-173.8142.700110.4F250 Y251 Y286 P287E182-F250 CarbonylContact C-O 3.59Å; E182-F250 WeakPolarHBondContact CA-O 3.31Å; E182-Y251 HydrophobicContact CB-CD1 3.93Å; E182-Y251 HydrophobicContact CB-CE1 3.78Å; E182-Y251 HydrophobicContact CG-CD1 4.04Å; E182-Y251 HydrophobicContact CG-CE1 3.67Å; E182-Y286 WeakPolarHBondContact O-CD1 3.18Å; E182-P287 HydrophobicContact CB-CG 4.46Å; E182-P287 HydrophobicContact CG-CG 4.15Å; E182-P287 VanDerWaalsContact OE1-CG 3.28Å; E182-P287 WeakPolarHBondContact OE1-CG 3.48Å
183V96.6Very high95.7Very high0 Ų031.3 Ų31.30%017%0.173CC..EExtended strand (participates in β ladder)trans-136.1126.3173.364.90000111.4V185 E249 F250 F271 I284 I285 Y286V183-V185 HydrophobicContact CG2-CG2 3.92Å; V183-E249 WeakPolarHBondContact O-CA 3.5Å; V183-F250 HydrophobicContact CG1-CB 3.65Å; V183-F250 PolarHBondContact N-O 3.31Å; V183-F250 PolarHBondContact O-N 2.85Å; V183-F271 HydrophobicContact CG1-CE2 4.09Å; V183-F271 HydrophobicContact CG1-CZ 4.29Å; V183-F271 HydrophobicContact CG2-CE2 4.46Å; V183-I284 HydrophobicContact CG2-CG2 3.46Å; V183-I284 VanDerWaalsContact CG2-CG2 3.46Å; V183-I285 CarbonylContact C-O 3.54Å; V183-I285 WeakPolarHBondContact CA-O 3.49Å; V183-Y286 HydrophobicContact CB-CD1 4.2Å; V183-Y286 HydrophobicContact CB-CE1 3.7Å; V183-Y286 HydrophobicContact CG2-CD1 4.48Å; V183-Y286 HydrophobicContact CG2-CE1 3.92Å; V183-Y286 HydrophobicContact CG2-CE2 4.11Å
184S97.7Very high95.8Very high9 Ų931.3 Ų31.36%0.06318%0.175CC..EExtended strand (participates in β ladder)trans-97.1128.9165.3169.40000109E247 L248 I285S184-E247 PolarHBondContact OG-OE1 3.36Å; S184-L248 CarbonylContact C-O 3.6Å; S184-L248 WeakPolarHBondContact CA-O 3.49Å; S184-I285 PolarHBondContact N-O 3.46Å; S184-I285 PolarHBondContact O-N 3.46Å
185V98.5Very high95.9Very high0 Ų032.8 Ų32.80%019%0.194CC..EExtended strand (participates in β ladder)trans-121.9114.9-178.7-175.50000109.1V183 Y187 E247 L248 F271 V282 E283 I284V183-V185 HydrophobicContact CG2-CG2 3.92Å; V185-Y187 HydrophobicContact CG1-CD2 4.42Å; V185-Y187 HydrophobicContact CG1-CE2 3.7Å; V185-E247 CarbonylContact O-C 3.52Å; V185-E247 VanDerWaalsContact O-CA 3.31Å; V185-E247 WeakPolarHBondContact O-CA 3.21Å; V185-L248 HydrophobicContact CB-CB 4.43Å; V185-L248 HydrophobicContact CB-CD1 4.16Å; V185-L248 HydrophobicContact CG1-CD1 4.32Å; V185-L248 PolarHBondContact N-O 2.68Å; V185-L248 PolarHBondContact O-N 2.87Å; V185-F271 HydrophobicContact CB-CD1 4.44Å; V185-F271 HydrophobicContact CG1-CB 4.07Å; V185-F271 HydrophobicContact CG1-CD1 4.09Å; V185-F271 HydrophobicContact CG1-CG 4.02Å; V185-F271 HydrophobicContact CG2-CD1 3.92Å; V185-F271 HydrophobicContact CG2-CD2 3.63Å; V185-F271 HydrophobicContact CG2-CE1 3.86Å; V185-F271 HydrophobicContact CG2-CE2 3.61Å; V185-F271 HydrophobicContact CG2-CG 3.83Å; V185-F271 HydrophobicContact CG2-CZ 3.73Å; V185-V282 HydrophobicContact CG1-CG2 3.66Å; V185-E283 WeakPolarHBondContact CA-O 3.48Å; V185-I284 HydrophobicContact CG1-CG1 4.47Å
186K98.7Very high96.2Very high54 Ų5434.7 Ų34.724%0.23521%0.212CC..EExtended strand (participates in β ladder)trans-111.1125.5-176.2-60.5177.9179.81760109.9Y245 S246 E247 V282 E283 I285K186-Y245 HydrophobicContact CB-CE2 3.97Å; K186-Y245 HydrophobicContact CD-CE2 4.3Å; K186-Y245 WeakPolarHBondContact CD-OH 3.47Å; K186-Y245 HydrophobicContact CG-CE2 4.22Å; K186-Y245 WeakPolarHBondContact CG-OH 3.43Å; K186-S246 WeakPolarHBondContact CA-O 3.26Å; K186-E247 VanDerWaalsContact CE-OE1 3.31Å; K186-E247 WeakPolarHBondContact CE-OE1 3.4Å; K186-E247 HydrophobicContact CG-CB 4.43Å; K186-E247 HydrophobicContact CG-CG 3.98Å; K186-V282 CarbonylContact O-C 3.59Å; K186-V282 WeakPolarHBondContact O-CA 3.01Å; K186-E283 HydrophobicContact CB-CB 4.31Å; K186-E283 PolarHBondContact N-O 3.39Å; K186-E283 PolarHBondContact O-N 2.74Å; K186-I285 HydrophobicContact CD-CD1 3.91Å
187Y98.9Very high96.6Very high0 Ų037.8 Ų37.80%022%0.218CC..EExtended strand (participates in β ladder)trans-104.8134.1173.3-64.3-81.1000110.6V185 A207 A208 A211 Y245 S246 L248 F271 A274 A275 C280 Q281 V282V185-Y187 HydrophobicContact CG1-CD2 4.42Å; V185-Y187 HydrophobicContact CG1-CE2 3.7Å; Y187-A207 HydrophobicContact CD1-CB 3.58Å; Y187-A207 HydrophobicContact CD2-CB 4Å; Y187-A207 HydrophobicContact CE1-CB 3.96Å; Y187-A207 HydrophobicContact CE2-CB 4.34Å; Y187-A207 HydrophobicContact CG-CB 3.6Å; Y187-A208 HydrophobicContact CD2-CB 4.43Å; Y187-A211 HydrophobicContact CE2-CB 4.31Å; Y187-A211 WeakPolarHBondContact OH-CB 3.28Å; Y187-Y245 WeakPolarHBondContact O-CA 3.2Å; Y187-S246 PolarHBondContact N-O 3.2Å; Y187-S246 PolarHBondContact O-N 3.26Å; Y187-L248 HydrophobicContact CD2-CD1 4.01Å; Y187-L248 HydrophobicContact CE2-CD1 3.46Å; Y187-L248 VanDerWaalsContact CE2-CD1 3.46Å; Y187-F271 VanDerWaalsContact OH-CA 3.23Å; Y187-F271 WeakPolarHBondContact OH-CA 3.39Å; Y187-F271 PolarHBondContact OH-O 3.25Å; Y187-A274 HydrophobicContact CE1-CB 4.47Å; Y187-A275 HydrophobicContact CD1-CB 4.12Å; Y187-A275 HydrophobicContact CE1-CB 3.82Å; Y187-C280 HydrophobicContact CD1-CB 4.19Å; Y187-Q281 WeakPolarHBondContact CA-O 3.12Å; Y187-V282 HydrophobicContact CD1-CB 3.78Å; Y187-V282 HydrophobicContact CD1-CG2 3.82Å; Y187-V282 HydrophobicContact CE1-CB 3.69Å; Y187-V282 HydrophobicContact CE1-CG2 3.45Å; Y187-V282 VanDerWaalsContact CE1-CG2 3.45Å
188H98.8Very high96.9Very high62 Ų6239.8 Ų39.829%0.28723%0.231SC..EExtended strand (participates in β ladder)trans-117.1121.1176.9-62.9-94.1000109.7Y245 C280 Q281 E283H188-Y245 AromaticContact CE1-CD2 3.6Å; H188-Y245 AromaticContact CE1-CE2 3.65Å; H188-Y245 AromaticContact ND1-CD2 3.88Å; H188-Y245 AromaticContact NE2-CE2 3.84Å; H188-C280 WeakPolarHBondContact O-CA 3.23Å; H188-Q281 HydrophobicContact CB-CB 4.32Å; H188-Q281 PolarHBondContact N-O 2.93Å; H188-Q281 PolarHBondContact O-N 3.44Å; H188-E283 IonicContact NE2-OE1 3.47Å
189G98.4Very high97.2Very high28 Ų2847.9 Ų47.929%0.28926%0.259SS..  trans-125.5-144.9178.900000111.6V202 A244G189-V202 WeakPolarHBondContact CA-O 3.29Å; G189-A244 PolarHBondContact N-O 2.95Å
190K98.6Very high97.3Very high106 Ų10652.6 Ų52.646%0.46128%0.281SS..BIsolated β-bridgetrans-143123.8-176.8-178.9-179.4168.3-149.40109.8E200 G201 V202K190-E200 VanDerWaalsContact CD-O 3.28Å; K190-E200 WeakPolarHBondContact CD-O 3.3Å; K190-E200 VanDerWaalsContact CE-O 3.24Å; K190-E200 WeakPolarHBondContact CE-O 2.98Å; K190-E200 PolarHBondContact NZ-O 3.44Å; K190-E200 IonicContact NZ-OE2 3.51Å; K190-G201 VanDerWaalsContact O-CA 3.3Å; K190-G201 WeakPolarHBondContact O-CA 3.25Å; K190-V202 HydrophobicContact CB-CB 4.11Å; K190-V202 HydrophobicContact CB-CG2 4.26Å; K190-V202 PolarHBondContact N-O 3.33Å; K190-V202 PolarHBondContact O-N 3.39Å
191A98.2Very high97.5Very high56 Ų5652.5 Ų52.546%0.46329%0.285SS..  trans-69.9145.8179.400000111.1I241 I242 A244A191-I241 HydrophobicContact CB-CG2 4.23Å; A191-I242 WeakPolarHBondContact CA-O 3.46Å; A191-A244 HydrophobicContact CB-CB 4.01Å
192S98.1Very high97.7Very high9 Ų954.3 Ų54.36%0.06330%0.296CS..  trans-156.7158.7175.5167.60000109.4A194 Y197 I242S192-A194 PolarHBondContact O-N 3Å; S192-Y197 VanDerWaalsContact OG-C 3.3Å; S192-Y197 WeakPolarHBondContact OG-CD2 3.39Å; S192-Y197 PolarHBondContact OG-O 3.09Å; S192-I242 PolarHBondContact O-N 2.9Å
193H97.8Very high97.9Very high67 Ų6753.8 Ų53.831%0.3129%0.294SS..BIsolated β-bridgetrans-71.6116.8174.2-172.6-63.4000109.4S195 A196 Y197H193-S195 PolarHBondContact ND1-N 2.98Å; H193-S195 PolarHBondContact O-N 2.69Å; H193-S195 VanDerWaalsContact O-N 3.08Å; H193-A196 HydrophobicContact CB-CB 4.03Å; H193-A196 WeakPolarHBondContact ND1-CB 3.35Å; H193-A196 PolarHBondContact ND1-N 3.47Å; H193-A196 PolarHBondContact O-N 3.33Å; H193-A196 VanDerWaalsContact O-N 3.11Å; H193-Y197 HydrophobicContact CB-CD1 4.06Å; H193-Y197 HydrophobicContact CB-CD2 4.14Å; H193-Y197 HydrophobicContact CB-CE1 3.48Å; H193-Y197 VanDerWaalsContact CB-CE1 3.48Å; H193-Y197 HydrophobicContact CB-CE2 3.56Å; H193-Y197 HydrophobicContact CB-CG 4.34Å; H193-Y197 WeakPolarHBondContact CB-OH 3.43Å; H193-Y197 PolarHBondContact O-N 3.2Å; H193-Y197 VanDerWaalsContact O-N 3.16Å
194A97.2Very high98Very high34 Ų3453.8 Ų53.828%0.28129%0.294SS..THydrogen-bonded Turntrans-56.2-35.7-168.500000113.4S192 P198 N240 I242S192-A194 PolarHBondContact O-N 3Å; A194-P198 WeakPolarHBondContact O-CB 3.39Å; A194-N240 PolarHBondContact N-O 3.42Å; A194-I242 HydrophobicContact CB-CG1 4.2Å
195S96.4Very high98.1Very high105 Ų10555.8 Ų55.873%0.73430%0.304SS*.THydrogen-bonded Turntrans-94.1-22179.9-47.30000115.4H193H193-S195 PolarHBondContact ND1-N 2.98Å; H193-S195 PolarHBondContact O-N 2.69Å; H193-S195 VanDerWaalsContact O-N 3.08Å
196A96.9Very high98.1Very high51 Ų5159.6 Ų59.642%0.42133%0.325SS..THydrogen-bonded Turntrans-103.6-36.2-164.600000112.5H193 W199H193-A196 HydrophobicContact CB-CB 4.03Å; H193-A196 WeakPolarHBondContact ND1-CB 3.35Å; H193-A196 PolarHBondContact ND1-N 3.47Å; H193-A196 PolarHBondContact O-N 3.33Å; H193-A196 VanDerWaalsContact O-N 3.11Å; A196-W199 WeakPolarHBondContact O-CH2 3.16Å
197Y97.5Very high98.1Very high114 Ų11457 Ų5745%0.44731%0.313SS..  trans-146.348.4-179.735.4-87.2000111.9S192 H193 W199 E200S192-Y197 VanDerWaalsContact OG-C 3.3Å; S192-Y197 WeakPolarHBondContact OG-CD2 3.39Å; S192-Y197 PolarHBondContact OG-O 3.09Å; H193-Y197 HydrophobicContact CB-CD1 4.06Å; H193-Y197 HydrophobicContact CB-CD2 4.14Å; H193-Y197 HydrophobicContact CB-CE1 3.48Å; H193-Y197 VanDerWaalsContact CB-CE1 3.48Å; H193-Y197 HydrophobicContact CB-CE2 3.56Å; H193-Y197 HydrophobicContact CB-CG 4.34Å; H193-Y197 WeakPolarHBondContact CB-OH 3.43Å; H193-Y197 PolarHBondContact O-N 3.2Å; H193-Y197 VanDerWaalsContact O-N 3.16Å; Y197-W199 PolarHBondContact O-N 3.18Å; Y197-W199 VanDerWaalsContact O-N 3.11Å; Y197-E200 HydrophobicContact CD2-CB 4.47Å; Y197-E200 WeakPolarHBondContact O-CB 3.21Å; Y197-E200 PolarHBondContact O-N 3.22Å
198P97.1Very high98.1Very high52 Ų5257 Ų5734%0.33831%0.313SS..G310 helixtrans-56.7-31.9-174.921.5-33.1000114A194 E200 G201 I242A194-P198 WeakPolarHBondContact O-CB 3.39Å; P198-E200 PolarHBondContact O-N 3.41Å; P198-G201 PolarHBondContact O-N 3.34Å; P198-I242 HydrophobicContact CB-CD1 4.01Å
199W97.8Very high98.1Very high194 Ų19457.2 Ų57.274%0.73532%0.319SS*.G310 helixtrans-64.5-17.2177.256.184.1000114.4A196 Y197 G201A196-W199 WeakPolarHBondContact O-CH2 3.16Å; Y197-W199 PolarHBondContact O-N 3.18Å; Y197-W199 VanDerWaalsContact O-N 3.11Å; W199-G201 VanDerWaalsContact C-N 3.33Å
200E97.9Very high98.1Very high98 Ų9859.1 Ų59.146%0.45832%0.322SS..G310 helixtrans-83.6-11.2174.3-68.3-62.9153.700113K190 Y197 P198K190-E200 VanDerWaalsContact CD-O 3.28Å; K190-E200 WeakPolarHBondContact CD-O 3.3Å; K190-E200 VanDerWaalsContact CE-O 3.24Å; K190-E200 WeakPolarHBondContact CE-O 2.98Å; K190-E200 PolarHBondContact NZ-O 3.44Å; K190-E200 IonicContact NZ-OE2 3.51Å; Y197-E200 HydrophobicContact CD2-CB 4.47Å; Y197-E200 WeakPolarHBondContact O-CB 3.21Å; Y197-E200 PolarHBondContact O-N 3.22Å; P198-E200 PolarHBondContact O-N 3.41Å
201G98.2Very high98.1Very high18 Ų1854 Ų5419%0.18630%0.3CS..  trans-96.5162.3-17600000113.7K190 P198 W199K190-G201 VanDerWaalsContact O-CA 3.3Å; K190-G201 WeakPolarHBondContact O-CA 3.25Å; P198-G201 PolarHBondContact O-N 3.34Å; W199-G201 VanDerWaalsContact C-N 3.33Å
202V98.7Very high98.1Very high40 Ų4056.3 Ų56.324%0.24230%0.297CS..BIsolated β-bridgetrans-131.2113170.4175.90000106.2G189 K190 A204 G279 C280G189-V202 WeakPolarHBondContact CA-O 3.29Å; K190-V202 HydrophobicContact CB-CB 4.11Å; K190-V202 HydrophobicContact CB-CG2 4.26Å; K190-V202 PolarHBondContact N-O 3.33Å; K190-V202 PolarHBondContact O-N 3.39Å; V202-A204 PolarHBondContact O-N 2.91Å; V202-G279 WeakPolarHBondContact CG1-O 3.49Å; V202-C280 HydrophobicContact CG1-CB 4.47Å
203N98.7Very high98.1Very high32 Ų3259 Ų5917%0.17132%0.316CS..  trans-89.6104.8-164.8-170.2-12000112.3L205 D206 A207 I242 P243N203-L205 VanDerWaalsContact C-N 3.34Å; N203-L205 PolarHBondContact O-N 3.17Å; N203-L205 WeakPolarHBondContact OD1-CB 3.13Å; N203-L205 PolarHBondContact OD1-N 2.9Å; N203-D206 HydrophobicContact CB-CB 4.06Å; N203-D206 WeakPolarHBondContact CB-OD2 3.47Å; N203-D206 VanDerWaalsContact CG-OD2 3.29Å; N203-D206 PolarHBondContact ND2-OD1 3.5Å; N203-D206 VanDerWaalsContact ND2-OD1 3.08Å; N203-D206 PolarHBondContact ND2-OD2 3.37Å; N203-D206 PolarHBondContact O-N 3.25Å; N203-D206 PolarHBondContact OD1-N 2.86Å; N203-A207 PolarHBondContact O-N 3.37Å; N203-I242 HydrophobicContact CB-CG2 3.68Å; N203-P243 WeakPolarHBondContact OD1-CD 3.22Å
204A98.8Very high98.2Very high0 Ų058.2 Ų58.20%031%0.314CS..Hα-helixtrans-69.6-28.9178.200000113V202 A207 A208 P243 S246V202-A204 PolarHBondContact O-N 2.91Å; A204-A207 WeakPolarHBondContact O-CB 3.32Å; A204-A207 PolarHBondContact O-N 2.54Å; A204-A208 PolarHBondContact O-N 3.1Å; A204-A208 VanDerWaalsContact O-N 3.14Å; A204-P243 WeakPolarHBondContact CB-O 3.37Å; A204-P243 PolarHBondContact N-O 2.91Å; A204-S246 WeakPolarHBondContact O-CB 3.49Å; A204-S246 PolarHBondContact O-OG 3.4Å
205L98.7Very high98.2Very high51 Ų5156.8 Ų56.827%0.26730%0.302SS..Hα-helixtrans-67.6-39.9175.6174.263.1000110.9N203 A207 A208 V209 G235 P243N203-L205 VanDerWaalsContact C-N 3.34Å; N203-L205 PolarHBondContact O-N 3.17Å; N203-L205 WeakPolarHBondContact OD1-CB 3.13Å; N203-L205 PolarHBondContact OD1-N 2.9Å; L205-A207 PolarHBondContact O-N 3.11Å; L205-A208 PolarHBondContact O-N 2.91Å; L205-A208 VanDerWaalsContact O-N 3.1Å; L205-V209 HydrophobicContact CD1-CG2 4.22Å; L205-V209 HydrophobicContact CG-CG2 4.41Å; L205-V209 WeakPolarHBondContact O-CG2 3.5Å; L205-V209 PolarHBondContact O-N 3.47Å; L205-G235 WeakPolarHBondContact CD2-O 3.14Å; L205-P243 HydrophobicContact CB-CB 4.01Å; L205-P243 HydrophobicContact CB-CG 3.75Å; L205-P243 HydrophobicContact CD2-CG 4.34Å
206D98.7Very high98.2Very high80 Ų8055.1 Ų55.143%0.42829%0.29SS..Hα-helixtrans-61.2-37.2175.8-68.4-12.9000110.9N203 V209 L210 T278N203-D206 HydrophobicContact CB-CB 4.06Å; N203-D206 WeakPolarHBondContact CB-OD2 3.47Å; N203-D206 VanDerWaalsContact CG-OD2 3.29Å; N203-D206 PolarHBondContact ND2-OD1 3.5Å; N203-D206 VanDerWaalsContact ND2-OD1 3.08Å; N203-D206 PolarHBondContact ND2-OD2 3.37Å; N203-D206 PolarHBondContact O-N 3.25Å; N203-D206 PolarHBondContact OD1-N 2.86Å; D206-V209 PolarHBondContact O-N 3.36Å; D206-L210 WeakPolarHBondContact O-CB 3.46Å; D206-L210 VanDerWaalsContact O-CG 3.31Å; D206-L210 WeakPolarHBondContact O-CG 3.19Å; D206-L210 PolarHBondContact O-N 2.71Å; D206-T278 HydrophobicContact CB-CG2 4.11Å
207A98.8Very high98.3Very high0 Ų056 Ų560%030%0.298CS..Hα-helixtrans-62.7-42.7174.500000111.6Y187 N203 A204 L205 L210 A211 A274 T278 C280Y187-A207 HydrophobicContact CD1-CB 3.58Å; Y187-A207 HydrophobicContact CD2-CB 4Å; Y187-A207 HydrophobicContact CE1-CB 3.96Å; Y187-A207 HydrophobicContact CE2-CB 4.34Å; Y187-A207 HydrophobicContact CG-CB 3.6Å; N203-A207 PolarHBondContact O-N 3.37Å; A204-A207 WeakPolarHBondContact O-CB 3.32Å; A204-A207 PolarHBondContact O-N 2.54Å; L205-A207 PolarHBondContact O-N 3.11Å; A207-L210 PolarHBondContact O-N 3.14Å; A207-A211 WeakPolarHBondContact O-CB 3.25Å; A207-A211 PolarHBondContact O-N 2.83Å; A207-A274 VanDerWaalsContact O-CB 3.23Å; A207-A274 WeakPolarHBondContact O-CB 3.42Å; A207-T278 HydrophobicContact CB-CG2 4.08Å; A207-T278 WeakPolarHBondContact CB-OG1 3.05Å; A207-C280 HydrophobicContact CB-CB 4.29Å
208A98.8Very high98.3Very high0 Ų051.8 Ų51.80%028%0.283CS..Hα-helixtrans-64.9-42.417600000112.8Y187 A204 L205 A211 Y212 I232 L248Y187-A208 HydrophobicContact CD2-CB 4.43Å; A204-A208 PolarHBondContact O-N 3.1Å; A204-A208 VanDerWaalsContact O-N 3.14Å; L205-A208 PolarHBondContact O-N 2.91Å; L205-A208 VanDerWaalsContact O-N 3.1Å; A208-A211 PolarHBondContact O-N 3.28Å; A208-Y212 WeakPolarHBondContact O-CB 3.23Å; A208-Y212 PolarHBondContact O-N 2.93Å; A208-I232 HydrophobicContact CB-CD1 4.49Å; A208-L248 HydrophobicContact CB-CD1 3.82Å; A208-L248 HydrophobicContact CB-CD2 4.23Å; A208-L248 HydrophobicContact CB-CG 4.11Å
209V98.8Very high98.3Very high67 Ų6754.7 Ų54.741%0.40629%0.287SS..Hα-helixtrans-63.1-46.5176.6172.60000110.8L205 D206 A211 Y212 S213L205-V209 HydrophobicContact CD1-CG2 4.22Å; L205-V209 HydrophobicContact CG-CG2 4.41Å; L205-V209 WeakPolarHBondContact O-CG2 3.5Å; L205-V209 PolarHBondContact O-N 3.47Å; D206-V209 PolarHBondContact O-N 3.36Å; V209-A211 PolarHBondContact O-N 3.21Å; V209-Y212 WeakPolarHBondContact O-CB 3.32Å; V209-Y212 PolarHBondContact O-N 3.07Å; V209-S213 PolarHBondContact O-N 3.28Å; V209-S213 PolarHBondContact O-OG 3.43Å
210L98.8Very high98.2Very high67 Ų6753.3 Ų53.335%0.35129%0.288SS..Hα-helixtrans-62.2-42.3176.8-75179.1000111.9D206 A207 Y212 S213 N214 A274 A277 T278D206-L210 WeakPolarHBondContact O-CB 3.46Å; D206-L210 VanDerWaalsContact O-CG 3.31Å; D206-L210 WeakPolarHBondContact O-CG 3.19Å; D206-L210 PolarHBondContact O-N 2.71Å; A207-L210 PolarHBondContact O-N 3.14Å; L210-Y212 VanDerWaalsContact C-N 3.32Å; L210-Y212 PolarHBondContact O-N 3.03Å; L210-S213 PolarHBondContact O-N 3.38Å; L210-N214 WeakPolarHBondContact O-CB 3.39Å; L210-N214 PolarHBondContact O-N 3.18Å; L210-N214 PolarHBondContact O-ND2 2.65Å; L210-N214 PolarHBondContact O-OD1 2.85Å; L210-A274 HydrophobicContact CB-CB 3.85Å; L210-A277 HydrophobicContact CD1-CB 4.04Å; L210-T278 HydrophobicContact CD1-CG2 3.73Å
211A98.7Very high98.1Very high0 Ų054.7 Ų54.70%030%0.295CS..Hα-helixtrans-59-44.3174.500000111.8Y187 A207 A208 V209 S213 N214 L215 F271 A274Y187-A211 HydrophobicContact CE2-CB 4.31Å; Y187-A211 WeakPolarHBondContact OH-CB 3.28Å; A207-A211 WeakPolarHBondContact O-CB 3.25Å; A207-A211 PolarHBondContact O-N 2.83Å; A208-A211 PolarHBondContact O-N 3.28Å; V209-A211 PolarHBondContact O-N 3.21Å; A211-S213 PolarHBondContact O-N 3.38Å; A211-N214 PolarHBondContact O-N 3.41Å; A211-L215 WeakPolarHBondContact O-CB 3.47Å; A211-L215 WeakPolarHBondContact O-CG 3.35Å; A211-L215 PolarHBondContact O-N 2.95Å; A211-F271 HydrophobicContact CB-CD1 3.99Å; A211-A274 HydrophobicContact CB-CB 3.85Å
212Y98.3Very high98Very high104 Ų10455 Ų5541%0.40829%0.293SS..Hα-helixtrans-61.8-43.4176.7-156-78.5000111.6A208 V209 L210 L215 S216 L248 F250A208-Y212 WeakPolarHBondContact O-CB 3.23Å; A208-Y212 PolarHBondContact O-N 2.93Å; V209-Y212 WeakPolarHBondContact O-CB 3.32Å; V209-Y212 PolarHBondContact O-N 3.07Å; L210-Y212 VanDerWaalsContact C-N 3.32Å; L210-Y212 PolarHBondContact O-N 3.03Å; Y212-L215 PolarHBondContact O-N 2.75Å; Y212-S216 WeakPolarHBondContact O-CB 3.36Å; Y212-S216 PolarHBondContact O-N 2.85Å; Y212-L248 HydrophobicContact CD2-CD2 4.33Å; Y212-F250 HydrophobicContact CD2-CE2 4.38Å; Y212-F250 AromaticContact CD2-CZ 3.85Å; Y212-F250 HydrophobicContact CD2-CZ 3.85Å; Y212-F250 AromaticContact CE2-CZ 3.93Å; Y212-F250 HydrophobicContact CE2-CZ 3.93Å
213S98.4Very high97.8Very high64 Ų6457.1 Ų57.145%0.44830%0.298SS..Hα-helixtrans-64.7-42.9175.2-62.50000112.7V209 L210 A211 L215 S216 A217V209-S213 PolarHBondContact O-N 3.28Å; V209-S213 PolarHBondContact O-OG 3.43Å; L210-S213 PolarHBondContact O-N 3.38Å; A211-S213 PolarHBondContact O-N 3.38Å; S213-L215 PolarHBondContact O-N 2.59Å; S213-S216 WeakPolarHBondContact O-CB 3.35Å; S213-S216 PolarHBondContact O-N 2.91Å; S213-A217 PolarHBondContact O-N 2.94Å
214N98.5Very high97.5Very high52 Ų5261.1 Ų61.128%0.27833%0.326SS..Hα-helixtrans-59.6-46.8176.7-69.5-13.9000110.8L210 A211 S216 A217 L218 C270L210-N214 WeakPolarHBondContact O-CB 3.39Å; L210-N214 PolarHBondContact O-N 3.18Å; L210-N214 PolarHBondContact O-ND2 2.65Å; L210-N214 PolarHBondContact O-OD1 2.85Å; A211-N214 PolarHBondContact O-N 3.41Å; N214-S216 VanDerWaalsContact C-N 3.33Å; N214-S216 PolarHBondContact O-N 3.25Å; N214-A217 PolarHBondContact O-N 3.26Å; N214-L218 WeakPolarHBondContact O-CB 3.44Å; N214-L218 PolarHBondContact O-N 3.29Å; N214-C270 HydrophobicContact CB-CB 3.71Å; N214-C270 PolarHBondContact ND2-O 3.27Å; N214-C270 VanDerWaalsContact ND2-O 3.16Å
215L98.1Very high97.1Very high3 Ų367.6 Ų67.62%0.01636%0.356CS..Hα-helixtrans-64.9-36.4175.9-72.6176000112.4A211 Y212 S213 A217 L218 R219 L228 F250 A267 C270 F271A211-L215 WeakPolarHBondContact O-CB 3.47Å; A211-L215 WeakPolarHBondContact O-CG 3.35Å; A211-L215 PolarHBondContact O-N 2.95Å; Y212-L215 PolarHBondContact O-N 2.75Å; S213-L215 PolarHBondContact O-N 2.59Å; L215-A217 VanDerWaalsContact C-N 3.35Å; L215-L218 HydrophobicContact CD2-CD2 4.06Å; L215-L218 WeakPolarHBondContact O-CB 3.46Å; L215-L218 PolarHBondContact O-N 2.95Å; L215-R219 WeakPolarHBondContact O-CG 3.28Å; L215-R219 PolarHBondContact O-N 3.27Å; L215-L228 HydrophobicContact CB-CD1 3.94Å; L215-L228 HydrophobicContact CD1-CD1 4.24Å; L215-L228 HydrophobicContact CD2-CD1 4.26Å; L215-L228 HydrophobicContact CD2-CD2 4.24Å; L215-L228 HydrophobicContact CG-CD1 4.4Å; L215-F250 HydrophobicContact CD1-CD1 3.95Å; L215-F250 HydrophobicContact CD1-CE1 3.48Å; L215-F250 VanDerWaalsContact CD1-CE1 3.48Å; L215-F250 HydrophobicContact CD1-CE2 4.11Å; L215-F250 HydrophobicContact CD1-CG 4.45Å; L215-F250 HydrophobicContact CD1-CZ 3.57Å; L215-A267 HydrophobicContact CD2-CB 4Å; L215-C270 HydrophobicContact CD2-CB 3.89Å; L215-C270 HydrophobicContact CG-CB 4.14Å; L215-F271 HydrophobicContact CD1-CD1 4.44Å; L215-F271 HydrophobicContact CD1-CE1 3.46Å; L215-F271 VanDerWaalsContact CD1-CE1 3.46Å; L215-F271 HydrophobicContact CD1-CZ 3.79Å; L215-F271 HydrophobicContact CG-CE1 4.26Å
216S96.9Very high96.9Very high71 Ų7165.6 Ų65.650%0.49735%0.345SS..Hα-helixtrans-61.1-43.7174-1720000111.6Y212 S213 N214 R219Y212-S216 WeakPolarHBondContact O-CB 3.36Å; Y212-S216 PolarHBondContact O-N 2.85Å; S213-S216 WeakPolarHBondContact O-CB 3.35Å; S213-S216 PolarHBondContact O-N 2.91Å; N214-S216 VanDerWaalsContact C-N 3.33Å; N214-S216 PolarHBondContact O-N 3.25Å; S216-R219 PolarHBondContact O-N 2.79Å
217A97.9Very high96.6Very high70 Ų7066.7 Ų66.758%0.57935%0.346SS*.Hα-helixtrans-67.6-37.9175.300000112.2S213 N214 L215 R219 Q220S213-A217 PolarHBondContact O-N 2.94Å; N214-A217 PolarHBondContact O-N 3.26Å; L215-A217 VanDerWaalsContact C-N 3.35Å; A217-R219 PolarHBondContact O-N 3.22Å; A217-Q220 PolarHBondContact O-N 3.2Å
218L97.7Very high96.4Very high25 Ų2566.8 Ų66.813%0.13135%0.346CS..Hα-helixtrans-57.3-33.6178176.563.3000112.5N214 L215 Q220 Q221 L222 L228 K266N214-L218 WeakPolarHBondContact O-CB 3.44Å; N214-L218 PolarHBondContact O-N 3.29Å; L215-L218 HydrophobicContact CD2-CD2 4.06Å; L215-L218 WeakPolarHBondContact O-CB 3.46Å; L215-L218 PolarHBondContact O-N 2.95Å; L218-Q220 PolarHBondContact O-N 2.99Å; L218-Q220 VanDerWaalsContact O-N 3.08Å; L218-Q221 WeakPolarHBondContact O-CA 3.42Å; L218-Q221 PolarHBondContact O-N 3.37Å; L218-L222 HydrophobicContact CD1-CD2 4.1Å; L218-L222 HydrophobicContact CD2-CD2 4.28Å; L218-L222 HydrophobicContact CG-CD2 3.89Å; L218-L222 HydrophobicContact CG-CG 4.32Å; L218-L228 HydrophobicContact CD2-CD2 4.24Å; L218-K266 HydrophobicContact CD1-CB 4.03Å; L218-K266 HydrophobicContact CD1-CD 4.17Å; L218-K266 HydrophobicContact CD1-CG 4.45Å; L218-K266 HydrophobicContact CD2-CB 3.87Å
219R96.3Very high96.1Very high112 Ų11270.2 Ų70.242%0.42336%0.362SS..G310 helixtrans-53-32.9-176.8-71.8176.9-171.5-87.3-1.2114.1L215 S216 A217 Q221 L222 L228L215-R219 WeakPolarHBondContact O-CG 3.28Å; L215-R219 PolarHBondContact O-N 3.27Å; S216-R219 PolarHBondContact O-N 2.79Å; A217-R219 PolarHBondContact O-N 3.22Å; R219-Q221 PolarHBondContact O-N 3.37Å; R219-L222 PolarHBondContact O-N 3.07Å; R219-L228 PolarHBondContact NH1-O 3.24Å; R219-L228 PolarHBondContact NH2-O 3.03Å
220Q96.6Very high95.9Very high165 Ų16568 Ų6877%0.77135%0.353SS*.G310 helixtrans-62.6-26.6176.9-176177.9-10.500112.4A217 L218A217-Q220 PolarHBondContact O-N 3.2Å; L218-Q220 PolarHBondContact O-N 2.99Å; L218-Q220 VanDerWaalsContact O-N 3.08Å
221Q96.2Very high95.8Very high128 Ų12869.6 Ų69.660%0.59836%0.361SS*.G310 helixtrans-103.516.2-175.8-46.2-57.1500113.5L218 R219L218-Q221 WeakPolarHBondContact O-CA 3.42Å; L218-Q221 PolarHBondContact O-N 3.37Å; R219-Q221 PolarHBondContact O-N 3.37Å
222L95.8Very high95.8Very high25 Ų2572.8 Ų72.813%0.13138%0.378CS..SBendtrans-98.8153.4175.3-57-177.8000110.9L218 R219 W226 L228 L263 K266L218-L222 HydrophobicContact CD1-CD2 4.1Å; L218-L222 HydrophobicContact CD2-CD2 4.28Å; L218-L222 HydrophobicContact CG-CD2 3.89Å; L218-L222 HydrophobicContact CG-CG 4.32Å; R219-L222 PolarHBondContact O-N 3.07Å; L222-W226 HydrophobicContact CB-CB 4.37Å; L222-W226 HydrophobicContact CD2-CE3 4.12Å; L222-L228 HydrophobicContact CD1-CD2 3.5Å; L222-L228 VanDerWaalsContact CD1-CD2 3.5Å; L222-L228 HydrophobicContact CD1-CG 4.37Å; L222-L263 HydrophobicContact CD1-CD1 4.02Å; L222-L263 HydrophobicContact CD2-CD1 3.77Å; L222-K266 HydrophobicContact CD2-CD 4.26Å
223K94.4Very high95.7Very high84 Ų8472.6 Ų72.637%0.36538%0.379SS..  trans-61.9145.4170-57.8-173.4-169.7171.80109E225 W226 D259K223-E225 PolarHBondContact O-N 3.28Å; K223-W226 HydrophobicContact CB-CD2 4.03Å; K223-W226 HydrophobicContact CB-CG 3.93Å; K223-W226 HydrophobicContact CD-CD2 4.45Å; K223-W226 HydrophobicContact CD-CH2 4.47Å; K223-W226 HydrophobicContact CD-CZ2 3.64Å; K223-W226 HydrophobicContact CG-CD2 4.18Å; K223-W226 HydrophobicContact CG-CZ2 4.05Å; K223-W226 WeakPolarHBondContact O-CB 3.35Å; K223-W226 PolarHBondContact O-N 2.92Å; K223-D259 IonicContact NZ-OD1 2.77Å; K223-D259 PolarHBondContact NZ-OD1 2.84Å
224P91.5Very high95.7Very high115 Ų11574.1 Ų74.175%0.74738%0.378SS*.THydrogen-bonded Turntrans-54.2-32.5-175.4-29.436.1000115K227P224-K227 PolarHBondContact O-NZ 3.15Å
225E90.3Very high95.6Very high137 Ų13773.1 Ų73.164%0.6438%0.38SS*.THydrogen-bonded Turntrans-84.6-13.4-177.5-60.2171.1127.900113.2K223 P255K223-E225 PolarHBondContact O-N 3.28Å; E225-P255 HydrophobicContact CB-CG 3.53Å; E225-P255 HydrophobicContact CG-CG 4.4Å
226W94.5Very high95.3Very high9 Ų974.9 Ų74.93%0.03440%0.399CS..  trans-79.2139.2177.6-66.78.7000110.5L222 K223 R253 T254 D259 E262 L263L222-W226 HydrophobicContact CB-CB 4.37Å; L222-W226 HydrophobicContact CD2-CE3 4.12Å; K223-W226 HydrophobicContact CB-CD2 4.03Å; K223-W226 HydrophobicContact CB-CG 3.93Å; K223-W226 HydrophobicContact CD-CD2 4.45Å; K223-W226 HydrophobicContact CD-CH2 4.47Å; K223-W226 HydrophobicContact CD-CZ2 3.64Å; K223-W226 HydrophobicContact CG-CD2 4.18Å; K223-W226 HydrophobicContact CG-CZ2 4.05Å; K223-W226 WeakPolarHBondContact O-CB 3.35Å; K223-W226 PolarHBondContact O-N 2.92Å; W226-R253 WeakPolarHBondContact CA-O 3.19Å; W226-T254 HydrophobicContact CD2-CG2 3.88Å; W226-T254 HydrophobicContact CG-CG2 3.82Å; W226-D259 HydrophobicContact CZ2-CB 3.51Å; W226-D259 WeakPolarHBondContact CZ2-OD1 3.45Å; W226-E262 HydrophobicContact CH2-CB 3.77Å; W226-E262 HydrophobicContact CH2-CG 3.84Å; W226-E262 WeakPolarHBondContact CH2-OE2 3.42Å; W226-E262 HydrophobicContact CZ3-CB 4.35Å; W226-E262 HydrophobicContact CZ3-CG 4.22Å; W226-L263 HydrophobicContact CB-CD2 4.39Å; W226-L263 HydrophobicContact CD2-CB 4.43Å; W226-L263 HydrophobicContact CE3-CB 3.72Å; W226-L263 HydrophobicContact CE3-CD1 4.02Å; W226-L263 HydrophobicContact CE3-CD2 4.43Å; W226-L263 HydrophobicContact CE3-CG 4.25Å; W226-L263 HydrophobicContact CZ3-CB 3.78Å
227K93.1Very high95.1Very high103 Ų10378.3 Ų78.345%0.44842%0.417SS..EExtended strand (participates in β ladder)trans-127.9142.4177.7-51.1-65.1170.9-153.70109.9P224 R253P224-K227 PolarHBondContact O-NZ 3.15Å; K227-R253 HydrophobicContact CB-CB 4.26Å; K227-R253 PolarHBondContact N-O 2.99Å; K227-R253 PolarHBondContact O-N 2.7Å
228L93.9Very high95.1Very high1 Ų181 Ų811%0.00542%0.416CS..EExtended strand (participates in β ladder)trans-133.7140.2161.768.194.4000107.8L215 L218 R219 L222 F250 Y251 L252 L263L215-L228 HydrophobicContact CB-CD1 3.94Å; L215-L228 HydrophobicContact CD1-CD1 4.24Å; L215-L228 HydrophobicContact CD2-CD1 4.26Å; L215-L228 HydrophobicContact CD2-CD2 4.24Å; L215-L228 HydrophobicContact CG-CD1 4.4Å; L218-L228 HydrophobicContact CD2-CD2 4.24Å; R219-L228 PolarHBondContact NH1-O 3.24Å; R219-L228 PolarHBondContact NH2-O 3.03Å; L222-L228 HydrophobicContact CD1-CD2 3.5Å; L222-L228 VanDerWaalsContact CD1-CD2 3.5Å; L222-L228 HydrophobicContact CD1-CG 4.37Å; L228-F250 HydrophobicContact CD1-CD1 4.17Å; L228-F250 HydrophobicContact CD1-CE1 3.93Å; L228-Y251 VanDerWaalsContact CA-O 3.27Å; L228-Y251 WeakPolarHBondContact CA-O 3.44Å; L228-L252 HydrophobicContact CB-CD2 3.7Å; L228-L263 HydrophobicContact CD2-CD1 4.2Å
229H93Very high95Very high72 Ų7286.4 Ų86.433%0.33345%0.452SS..EExtended strand (participates in β ladder)trans-160.7148.8178.345.879000109.5F250 Y251H229-F250 CarbonylContact O-C 3.41Å; H229-F250 WeakPolarHBondContact O-CA 3.5Å; H229-F250 WeakPolarHBondContact O-CD1 2.97Å; H229-Y251 AromaticContact CE1-CD2 3.73Å; H229-Y251 PolarHBondContact N-O 2.78Å; H229-Y251 VanDerWaalsContact N-O 3.13Å; H229-Y251 AromaticContact ND1-CD2 3.96Å; H229-Y251 PolarHBondContact O-N 2.97Å
230G94.9Very high95.1Very high21 Ų2184.7 Ų84.722%0.21645%0.452CS..EExtended strand (participates in β ladder)trans-175.1-179.2-172.300000112.9E249G230-E249 CarbonylContact C-O 3.5Å; G230-E249 WeakPolarHBondContact CA-O 3.43Å
231I97.2Very high95.1Very high101 Ų10180.6 Ų80.652%0.51843%0.434SS..EExtended strand (participates in β ladder)trans-133.2164.3-176.162.5169.4000110.8L248 E249I231-L248 VanDerWaalsContact O-CA 3.27Å; I231-L248 WeakPolarHBondContact O-CA 3.48Å; I231-L248 WeakPolarHBondContact O-CB 3.14Å; I231-E249 HydrophobicContact CG1-CB 4.25Å; I231-E249 PolarHBondContact N-O 2.81Å; I231-E249 PolarHBondContact O-N 3.32Å
232I98.1Very high95.2Very high67 Ų6775.3 Ų75.334%0.34441%0.41SS..EExtended strand (participates in β ladder)trans-92.3104.8162.3-60.7172.1000106.5A208 H234 E247 L248A208-I232 HydrophobicContact CB-CD1 4.49Å; I232-H234 WeakPolarHBondContact CG2-O 3.44Å; I232-E247 CarbonylContact C-O 3.51Å; I232-L248 HydrophobicContact CG1-CD2 3.81Å; I232-L248 HydrophobicContact CG1-CG 4.35Å
233K96.7Very high95.4Very high100 Ų10075 Ų7544%0.43541%0.409SS..EExtended strand (participates in β ladder)trans-72.5-39.4-179.6-170.6175.7-165.11550111.4E247 E249K233-E247 HydrophobicContact CB-CB 4.45Å; K233-E247 HydrophobicContact CB-CG 4.35Å; K233-E247 HydrophobicContact CD-CG 4.45Å; K233-E247 PolarHBondContact N-O 3.28Å; K233-E249 WeakPolarHBondContact CD-OE2 3.29Å; K233-E249 IonicContact NZ-OE2 3.41Å; K233-E249 PolarHBondContact NZ-OE2 3.03Å
234H97.6Very high95.6Very high95 Ų9572.8 Ų72.844%0.4441%0.407SS..EExtended strand (participates in β ladder)trans-134.5123.3174.8-66.5-60.4000110.8I232 Y245 S246 E247I232-H234 WeakPolarHBondContact CG2-O 3.44Å; H234-Y245 HydrophobicContact CB-CD1 4.33Å; H234-Y245 HydrophobicContact CB-CE1 4.08Å; H234-S246 CarbonylContact O-C 3.54Å; H234-S246 WeakPolarHBondContact O-CA 3.39Å; H234-S246 WeakPolarHBondContact O-CB 3.26Å; H234-E247 HydrophobicContact CB-CB 4.12Å; H234-E247 IonicContact CD2-OE2 2.76Å; H234-E247 PolarHBondContact CD2-OE2 3.37Å; H234-E247 PolarHBondContact N-O 2.91Å; H234-E247 VanDerWaalsContact N-O 3.14Å; H234-E247 PolarHBondContact O-N 3.03Å
235G96.2Very high95.9Very high31 Ų3171 Ų7132%0.3239%0.385SS..  trans-126.923.3-174.300000114.7L205L205-G235 WeakPolarHBondContact CD2-O 3.14Å
236G92.8Very high96.3Very high40 Ų4064.4 Ų64.441%0.41236%0.355SS..  trans98.6170.9-175.800000114.2
237V93.6Very high96.5Very high143 Ų14364.9 Ų64.987%0.86736%0.357SS*.SBendtrans-113.6-40-168.6-1720000112.9
238K96.1Very high96.7Very high128 Ų12860 Ų6056%0.55734%0.336SS*.  trans-143.2142.2-179-67.5-167.9177.3-174.30111.8N240 I241K238-N240 VanDerWaalsContact C-N 3.28Å; K238-N240 WeakPolarHBondContact CB-OD1 3.29Å; K238-N240 PolarHBondContact O-N 2.91Å; K238-I241 HydrophobicContact CB-CD1 4.33Å; K238-I241 HydrophobicContact CB-CG1 4.5Å; K238-I241 PolarHBondContact O-N 3.21Å; K238-I241 VanDerWaalsContact O-O 3.1Å
239P96.5Very high96.9Very high137 Ų13761.9 Ų61.989%0.8935%0.345SS*.THydrogen-bonded Turntrans-63-25.7-179.3-25.434.9000115.7I241P239-I241 VanDerWaalsContact C-N 3.3Å
240N97.3Very high97.1Very high77 Ų7758.6 Ų58.641%0.41233%0.33SS..THydrogen-bonded Turntrans-86.51.5-178.968.3-35.1000113.8A194 K238A194-N240 PolarHBondContact N-O 3.42Å; K238-N240 VanDerWaalsContact C-N 3.28Å; K238-N240 WeakPolarHBondContact CB-OD1 3.29Å; K238-N240 PolarHBondContact O-N 2.91Å
241I98Very high97.1Very high78 Ų7861.6 Ų61.640%0.434%0.335SS..BIsolated β-bridgetrans-121.4122.7178.5-58.3173.4000107.8A191 K238 P239 P243A191-I241 HydrophobicContact CB-CG2 4.23Å; K238-I241 HydrophobicContact CB-CD1 4.33Å; K238-I241 HydrophobicContact CB-CG1 4.5Å; K238-I241 PolarHBondContact O-N 3.21Å; K238-I241 VanDerWaalsContact O-O 3.1Å; P239-I241 VanDerWaalsContact C-N 3.3Å; I241-P243 VanDerWaalsContact O-CD 3.27Å; I241-P243 WeakPolarHBondContact O-CD 3.31Å
242I98.6Very high97.1Very high18 Ų1856.8 Ų56.89%0.09231%0.31CS..  trans-60.8122.4171.1-69.9173.6000108.5A191 S192 A194 P198 N203 A244A191-I242 WeakPolarHBondContact CA-O 3.46Å; S192-I242 PolarHBondContact O-N 2.9Å; A194-I242 HydrophobicContact CB-CG1 4.2Å; P198-I242 HydrophobicContact CB-CD1 4.01Å; N203-I242 HydrophobicContact CB-CG2 3.68Å; I242-A244 PolarHBondContact O-N 3.37Å
243P98.6Very high96.9Very high18 Ų1856.7 Ų56.712%0.11731%0.306CS..  trans-62.4122.9179.7-27.938.5000112.3N203 A204 L205 I241 Y245N203-P243 WeakPolarHBondContact OD1-CD 3.22Å; A204-P243 WeakPolarHBondContact CB-O 3.37Å; A204-P243 PolarHBondContact N-O 2.91Å; L205-P243 HydrophobicContact CB-CB 4.01Å; L205-P243 HydrophobicContact CB-CG 3.75Å; L205-P243 HydrophobicContact CD2-CG 4.34Å; I241-P243 VanDerWaalsContact O-CD 3.27Å; I241-P243 WeakPolarHBondContact O-CD 3.31Å; P243-Y245 VanDerWaalsContact C-N 3.33Å
244A98.3Very high96.8Very high38 Ų3852 Ų5231%0.31429%0.285SS..SBendtrans-84-10.2171.800000113.2G189 A191 I242G189-A244 PolarHBondContact N-O 2.95Å; A191-A244 HydrophobicContact CB-CB 4.01Å; I242-A244 PolarHBondContact O-N 3.37Å
245Y98.8Very high96.5Very high76 Ų7649.1 Ų49.130%0.29828%0.275SS..EExtended strand (participates in β ladder)trans-142.3140.7-179.1179.9-102.2000110.6K186 Y187 H188 H234 P243 E247K186-Y245 HydrophobicContact CB-CE2 3.97Å; K186-Y245 HydrophobicContact CD-CE2 4.3Å; K186-Y245 WeakPolarHBondContact CD-OH 3.47Å; K186-Y245 HydrophobicContact CG-CE2 4.22Å; K186-Y245 WeakPolarHBondContact CG-OH 3.43Å; Y187-Y245 WeakPolarHBondContact O-CA 3.2Å; H188-Y245 AromaticContact CE1-CD2 3.6Å; H188-Y245 AromaticContact CE1-CE2 3.65Å; H188-Y245 AromaticContact ND1-CD2 3.88Å; H188-Y245 AromaticContact NE2-CE2 3.84Å; H234-Y245 HydrophobicContact CB-CD1 4.33Å; H234-Y245 HydrophobicContact CB-CE1 4.08Å; P243-Y245 VanDerWaalsContact C-N 3.33Å; Y245-E247 HydrophobicContact CE1-CB 3.95Å; Y245-E247 PolarHBondContact OH-OE2 3.12Å
246S98.7Very high96.3Very high0 Ų051.5 Ų51.50%027%0.274CS..EExtended strand (participates in β ladder)trans-145.1156.3165.268.90000110.1K186 Y187 A204 H234K186-S246 WeakPolarHBondContact CA-O 3.26Å; Y187-S246 PolarHBondContact N-O 3.2Å; Y187-S246 PolarHBondContact O-N 3.26Å; A204-S246 WeakPolarHBondContact O-CB 3.49Å; A204-S246 PolarHBondContact O-OG 3.4Å; H234-S246 CarbonylContact O-C 3.54Å; H234-S246 WeakPolarHBondContact O-CA 3.39Å; H234-S246 WeakPolarHBondContact O-CB 3.26Å
247E98.6Very high96.2Very high19 Ų1951.1 Ų51.19%0.08926%0.263CS..EExtended strand (participates in β ladder)trans-140.1132179.6-176.2169.2-178.200110.5S184 V185 K186 I232 K233 H234 Y245S184-E247 PolarHBondContact OG-OE1 3.36Å; V185-E247 CarbonylContact O-C 3.52Å; V185-E247 VanDerWaalsContact O-CA 3.31Å; V185-E247 WeakPolarHBondContact O-CA 3.21Å; K186-E247 VanDerWaalsContact CE-OE1 3.31Å; K186-E247 WeakPolarHBondContact CE-OE1 3.4Å; K186-E247 HydrophobicContact CG-CB 4.43Å; K186-E247 HydrophobicContact CG-CG 3.98Å; I232-E247 CarbonylContact C-O 3.51Å; K233-E247 HydrophobicContact CB-CB 4.45Å; K233-E247 HydrophobicContact CB-CG 4.35Å; K233-E247 HydrophobicContact CD-CG 4.45Å; K233-E247 PolarHBondContact N-O 3.28Å; H234-E247 HydrophobicContact CB-CB 4.12Å; H234-E247 IonicContact CD2-OE2 2.76Å; H234-E247 PolarHBondContact CD2-OE2 3.37Å; H234-E247 PolarHBondContact N-O 2.91Å; H234-E247 VanDerWaalsContact N-O 3.14Å; H234-E247 PolarHBondContact O-N 3.03Å; Y245-E247 HydrophobicContact CE1-CB 3.95Å; Y245-E247 PolarHBondContact OH-OE2 3.12Å
248L98.3Very high96Very high0 Ų046.4 Ų46.40%024%0.236CC..EExtended strand (participates in β ladder)trans-111.5154168.7-52.4106.7000110.7S184 V185 Y187 A208 Y212 I231 I232 F250S184-L248 CarbonylContact C-O 3.6Å; S184-L248 WeakPolarHBondContact CA-O 3.49Å; V185-L248 HydrophobicContact CB-CB 4.43Å; V185-L248 HydrophobicContact CB-CD1 4.16Å; V185-L248 HydrophobicContact CG1-CD1 4.32Å; V185-L248 PolarHBondContact N-O 2.68Å; V185-L248 PolarHBondContact O-N 2.87Å; Y187-L248 HydrophobicContact CD2-CD1 4.01Å; Y187-L248 HydrophobicContact CE2-CD1 3.46Å; Y187-L248 VanDerWaalsContact CE2-CD1 3.46Å; A208-L248 HydrophobicContact CB-CD1 3.82Å; A208-L248 HydrophobicContact CB-CD2 4.23Å; A208-L248 HydrophobicContact CB-CG 4.11Å; Y212-L248 HydrophobicContact CD2-CD2 4.33Å; I231-L248 VanDerWaalsContact O-CA 3.27Å; I231-L248 WeakPolarHBondContact O-CA 3.48Å; I231-L248 WeakPolarHBondContact O-CB 3.14Å; I232-L248 HydrophobicContact CG1-CD2 3.81Å; I232-L248 HydrophobicContact CG1-CG 4.35Å; L248-F250 HydrophobicContact CB-CD2 4.01Å; L248-F250 HydrophobicContact CB-CE2 3.94Å; L248-F250 HydrophobicContact CD2-CE2 3.76Å; L248-F250 HydrophobicContact CG-CE2 4.47Å
249E97.6Very high95.9Very high41 Ų4141 Ų4119%0.19221%0.214CC..EExtended strand (participates in β ladder)trans-130.8125.7174.1-165.2177.8128.200108.3V183 G230 I231 K233V183-E249 WeakPolarHBondContact O-CA 3.5Å; G230-E249 CarbonylContact C-O 3.5Å; G230-E249 WeakPolarHBondContact CA-O 3.43Å; I231-E249 HydrophobicContact CG1-CB 4.25Å; I231-E249 PolarHBondContact N-O 2.81Å; I231-E249 PolarHBondContact O-N 3.32Å; K233-E249 WeakPolarHBondContact CD-OE2 3.29Å; K233-E249 IonicContact NZ-OE2 3.41Å; K233-E249 PolarHBondContact NZ-OE2 3.03Å
250F96.8Very high95.8Very high3 Ų334.5 Ų34.51%0.01317%0.171CC..EExtended strand (participates in β ladder)trans-135.2145-176-87.5-101.5000111.6E182 V183 Y212 L215 L228 H229 L248 F271E182-F250 CarbonylContact C-O 3.59Å; E182-F250 WeakPolarHBondContact CA-O 3.31Å; V183-F250 HydrophobicContact CG1-CB 3.65Å; V183-F250 PolarHBondContact N-O 3.31Å; V183-F250 PolarHBondContact O-N 2.85Å; Y212-F250 HydrophobicContact CD2-CE2 4.38Å; Y212-F250 AromaticContact CD2-CZ 3.85Å; Y212-F250 HydrophobicContact CD2-CZ 3.85Å; Y212-F250 AromaticContact CE2-CZ 3.93Å; Y212-F250 HydrophobicContact CE2-CZ 3.93Å; L215-F250 HydrophobicContact CD1-CD1 3.95Å; L215-F250 HydrophobicContact CD1-CE1 3.48Å; L215-F250 VanDerWaalsContact CD1-CE1 3.48Å; L215-F250 HydrophobicContact CD1-CE2 4.11Å; L215-F250 HydrophobicContact CD1-CG 4.45Å; L215-F250 HydrophobicContact CD1-CZ 3.57Å; L228-F250 HydrophobicContact CD1-CD1 4.17Å; L228-F250 HydrophobicContact CD1-CE1 3.93Å; H229-F250 CarbonylContact O-C 3.41Å; H229-F250 WeakPolarHBondContact O-CA 3.5Å; H229-F250 WeakPolarHBondContact O-CD1 2.97Å; L248-F250 HydrophobicContact CB-CD2 4.01Å; L248-F250 HydrophobicContact CB-CE2 3.94Å; L248-F250 HydrophobicContact CD2-CE2 3.76Å; L248-F250 HydrophobicContact CG-CE2 4.47Å; F250-F271 HydrophobicContact CD2-CZ 4.43Å; F250-F271 HydrophobicContact CG-CZ 4.48Å
251Y95.6Very high95.5Very high84 Ų8437.4 Ų37.433%0.32918%0.176SC..EExtended strand (participates in β ladder)trans-102.2138162-66.8-56.9000110.3I180 A181 E182 L228 H229I180-Y251 HydrophobicContact CD1-CD1 3.64Å; I180-Y251 HydrophobicContact CD1-CE1 4.19Å; I180-Y251 HydrophobicContact CD1-CG 3.93Å; I180-Y251 HydrophobicContact CG1-CD1 4.08Å; I180-Y251 HydrophobicContact CG1-CG 4.5Å; A181-Y251 WeakPolarHBondContact O-CA 3.18Å; E182-Y251 HydrophobicContact CB-CD1 3.93Å; E182-Y251 HydrophobicContact CB-CE1 3.78Å; E182-Y251 HydrophobicContact CG-CD1 4.04Å; E182-Y251 HydrophobicContact CG-CE1 3.67Å; L228-Y251 VanDerWaalsContact CA-O 3.27Å; L228-Y251 WeakPolarHBondContact CA-O 3.44Å; H229-Y251 AromaticContact CE1-CD2 3.73Å; H229-Y251 PolarHBondContact N-O 2.78Å; H229-Y251 VanDerWaalsContact N-O 3.13Å; H229-Y251 AromaticContact ND1-CD2 3.96Å; H229-Y251 PolarHBondContact O-N 2.97Å
252L95.9Very high95.4Very high0 Ų037.8 Ų37.80%018%0.177CC..EExtended strand (participates in β ladder)trans-113.8124.7172-53.5-177.7000108I180 A181 L228 L260 L263 K264 A267I180-L252 CarbonylContact C-O 3.44Å; I180-L252 VanDerWaalsContact CA-O 3.3Å; I180-L252 WeakPolarHBondContact CA-O 3.27Å; A181-L252 PolarHBondContact N-O 2.67Å; A181-L252 PolarHBondContact O-N 2.87Å; L228-L252 HydrophobicContact CB-CD2 3.7Å; L252-L260 HydrophobicContact CB-CD1 3.96Å; L252-L263 HydrophobicContact CB-CD2 4Å; L252-L263 HydrophobicContact CB-CG 4.37Å; L252-L263 HydrophobicContact CD2-CG 4.5Å; L252-K264 HydrophobicContact CD1-CB 4.29Å; L252-A267 HydrophobicContact CD1-CB 4.13Å; L252-A267 HydrophobicContact CD2-CB 4.11Å
253R95.2Very high95.3Very high64 Ų6437 Ų3724%0.24217%0.172CC..EExtended strand (participates in β ladder)trans-129.2135.9-176.4-62.4-178.4176.6-146.7-0.4112.3T179 I180 W226 K227 S323T179-R253 VanDerWaalsContact O-CA 3.23Å; T179-R253 WeakPolarHBondContact O-CA 3.37Å; I180-R253 HydrophobicContact CB-CG 4.09Å; I180-R253 HydrophobicContact CD1-CG 4.13Å; I180-R253 HydrophobicContact CG1-CG 3.86Å; W226-R253 WeakPolarHBondContact CA-O 3.19Å; K227-R253 HydrophobicContact CB-CB 4.26Å; K227-R253 PolarHBondContact N-O 2.99Å; K227-R253 PolarHBondContact O-N 2.7Å; R253-S323 PolarHBondContact NH1-O 3.42Å
254T94.4Very high95.2Very high1 Ų137.9 Ų37.91%0.00617%0.174CC..EExtended strand (participates in β ladder)trans-138.9150.7175.9540000110.3T179 W226 R256 D259 L260 L263T179-T254 WeakPolarHBondContact CB-O 3.46Å; T179-T254 PolarHBondContact N-O 3.24Å; T179-T254 PolarHBondContact O-N 2.87Å; W226-T254 HydrophobicContact CD2-CG2 3.88Å; W226-T254 HydrophobicContact CG-CG2 3.82Å; T254-R256 WeakPolarHBondContact CB-O 3.34Å; T254-R256 PolarHBondContact O-N 2.7Å; T254-R256 PolarHBondContact OG1-O 2.91Å; T254-D259 HydrophobicContact CG2-CB 4.08Å; T254-L260 HydrophobicContact CG2-CB 4.45Å; T254-L260 HydrophobicContact CG2-CD1 4.43Å; T254-L260 WeakPolarHBondContact OG1-CB 3.43Å; T254-L260 PolarHBondContact OG1-N 2.82Å; T254-L263 HydrophobicContact CG2-CB 4.13Å; T254-L263 HydrophobicContact CG2-CD2 3.79Å
255P91.9Very high95.1Very high36 Ų3639 Ų3923%0.23418%0.184CC..SBendtrans-60.9-31.2174.8-26.135.6000113.7E225 N293E225-P255 HydrophobicContact CB-CG 3.53Å; E225-P255 HydrophobicContact CG-CG 4.4Å; P255-N293 VanDerWaalsContact O-CB 3.29Å; P255-N293 WeakPolarHBondContact O-CB 3.32Å
256R91.2Very high95.1Very high80 Ų8038.3 Ų38.330%0.30218%0.183SC..SBendtrans-124.9152.6-176.2-64-172.5-60.5161.98.6111.4T254 D259 N293 E403 T405T254-R256 WeakPolarHBondContact CB-O 3.34Å; T254-R256 PolarHBondContact O-N 2.7Å; T254-R256 PolarHBondContact OG1-O 2.91Å; R256-D259 HydrophobicContact CB-CB 4.44Å; R256-D259 IonicContact CZ-OD2 3.66Å; R256-D259 IonicContact NE-OD2 3.45Å; R256-D259 PolarHBondContact NE-OD2 3.48Å; R256-D259 IonicContact NH2-OD1 2.7Å; R256-D259 PolarHBondContact NH2-OD1 3.5Å; R256-D259 IonicContact NH2-OD2 3.96Å; R256-D259 PolarHBondContact NH2-OD2 2.94Å; R256-D259 PolarHBondContact O-N 3.24Å; R256-N293 WeakPolarHBondContact CA-OD1 3.42Å; R256-E403 WeakPolarHBondContact CB-OE2 3.42Å; R256-E403 WeakPolarHBondContact CG-OE1 3.18Å; R256-T405 PolarHBondContact NH1-OXT 3.23Å
257L90.9Very high95.1Very high32 Ų3238.3 Ų38.317%0.16818%0.183CC..Hα-helixtrans-68.6-40-179.5178.962.4000111.6T179 D259 L260 W261 T290 N293 F333 E403T179-L257 HydrophobicContact CG2-CD1 3.73Å; T179-L257 WeakPolarHBondContact OG1-CA 3.47Å; T179-L257 PolarHBondContact OG1-N 2.99Å; L257-D259 PolarHBondContact O-N 2.96Å; L257-L260 HydrophobicContact CD1-CD2 4.46Å; L257-L260 WeakPolarHBondContact O-CB 3.35Å; L257-L260 PolarHBondContact O-N 3.37Å; L257-L260 VanDerWaalsContact O-N 3.07Å; L257-W261 HydrophobicContact CD1-CZ2 4.44Å; L257-T290 HydrophobicContact CD1-CG2 3.93Å; L257-N293 PolarHBondContact N-OD1 3.28Å; L257-F333 HydrophobicContact CB-CZ 4.03Å; L257-F333 HydrophobicContact CD2-CE1 4.17Å; L257-F333 HydrophobicContact CD2-CE2 4.49Å; L257-F333 HydrophobicContact CD2-CZ 4.04Å; L257-E403 PolarHBondContact N-OE2 3Å; L257-E403 VanDerWaalsContact N-OE2 3.11Å
258S89.7Confident95.1Very high44 Ų4439.3 Ų39.331%0.30819%0.187SC..Hα-helixtrans-60.9-34.1179.553.50000113.1L260 E403S258-L260 VanDerWaalsContact C-N 3.33Å; S258-L260 PolarHBondContact O-N 3.18Å; S258-E403 WeakPolarHBondContact CB-O 3.48Å; S258-E403 PolarHBondContact OG-O 3.28Å
259D92.6Very high95.1Very high15 Ų1542.1 Ų42.18%0.0821%0.21CC..Hα-helixtrans-70.1-27177.2-76.9-47000112.7K223 W226 T254 R256 L257 W261 E262 L263K223-D259 IonicContact NZ-OD1 2.77Å; K223-D259 PolarHBondContact NZ-OD1 2.84Å; W226-D259 HydrophobicContact CZ2-CB 3.51Å; W226-D259 WeakPolarHBondContact CZ2-OD1 3.45Å; T254-D259 HydrophobicContact CG2-CB 4.08Å; R256-D259 HydrophobicContact CB-CB 4.44Å; R256-D259 IonicContact CZ-OD2 3.66Å; R256-D259 IonicContact NE-OD2 3.45Å; R256-D259 PolarHBondContact NE-OD2 3.48Å; R256-D259 IonicContact NH2-OD1 2.7Å; R256-D259 PolarHBondContact NH2-OD1 3.5Å; R256-D259 IonicContact NH2-OD2 3.96Å; R256-D259 PolarHBondContact NH2-OD2 2.94Å; R256-D259 PolarHBondContact O-N 3.24Å; L257-D259 PolarHBondContact O-N 2.96Å; D259-W261 VanDerWaalsContact C-N 3.3Å; D259-W261 PolarHBondContact O-N 2.93Å; D259-E262 PolarHBondContact O-N 3.18Å; D259-L263 PolarHBondContact O-N 2.87Å
260L94.5Very high95.1Very high0 Ų041 Ų410%021%0.207CC..Hα-helixtrans-63.2-37.9-177.4-177.968.6000111.5T179 A181 L252 T254 L257 S258 E262 L263 K264 T290T179-L260 HydrophobicContact CG2-CB 3.81Å; T179-L260 HydrophobicContact CG2-CD1 4.35Å; T179-L260 HydrophobicContact CG2-CD2 3.49Å; T179-L260 VanDerWaalsContact CG2-CD2 3.49Å; T179-L260 HydrophobicContact CG2-CG 4.05Å; A181-L260 HydrophobicContact CB-CD1 4.26Å; A181-L260 HydrophobicContact CB-CD2 3.81Å; L252-L260 HydrophobicContact CB-CD1 3.96Å; T254-L260 HydrophobicContact CG2-CB 4.45Å; T254-L260 HydrophobicContact CG2-CD1 4.43Å; T254-L260 WeakPolarHBondContact OG1-CB 3.43Å; T254-L260 PolarHBondContact OG1-N 2.82Å; L257-L260 HydrophobicContact CD1-CD2 4.46Å; L257-L260 WeakPolarHBondContact O-CB 3.35Å; L257-L260 PolarHBondContact O-N 3.37Å; L257-L260 VanDerWaalsContact O-N 3.07Å; S258-L260 VanDerWaalsContact C-N 3.33Å; S258-L260 PolarHBondContact O-N 3.18Å; L260-E262 VanDerWaalsContact C-N 3.29Å; L260-E262 PolarHBondContact O-N 3.02Å; L260-L263 PolarHBondContact O-N 2.89Å; L260-K264 VanDerWaalsContact O-CB 3.23Å; L260-K264 WeakPolarHBondContact O-CB 3.27Å; L260-K264 PolarHBondContact O-N 3.39Å; L260-T290 HydrophobicContact CD2-CG2 3.33Å
261W92.2Very high95.2Very high138 Ų13840.9 Ų40.952%0.52321%0.206SC..Hα-helixtrans-62.8-37.7-177.5-57.3120.3000112.3L257 D259 K264 A265L257-W261 HydrophobicContact CD1-CZ2 4.44Å; D259-W261 VanDerWaalsContact C-N 3.3Å; D259-W261 PolarHBondContact O-N 2.93Å; W261-K264 HydrophobicContact CE3-CD 4.12Å; W261-K264 HydrophobicContact CZ3-CD 4.15Å; W261-A265 WeakPolarHBondContact O-CB 3.27Å; W261-A265 PolarHBondContact O-N 2.86Å
262E95.1Very high95.4Very high87 Ų8743 Ų4341%0.40721%0.214SC..Hα-helixtrans-68.5-45.6174.9-176.5-172.2159.700111.1W226 D259 L260 K264 A265 K266W226-E262 HydrophobicContact CH2-CB 3.77Å; W226-E262 HydrophobicContact CH2-CG 3.84Å; W226-E262 WeakPolarHBondContact CH2-OE2 3.42Å; W226-E262 HydrophobicContact CZ3-CB 4.35Å; W226-E262 HydrophobicContact CZ3-CG 4.22Å; D259-E262 PolarHBondContact O-N 3.18Å; L260-E262 VanDerWaalsContact C-N 3.29Å; L260-E262 PolarHBondContact O-N 3.02Å; E262-K264 VanDerWaalsContact C-N 3.31Å; E262-K264 PolarHBondContact O-N 3.27Å; E262-A265 PolarHBondContact O-N 3.38Å; E262-K266 HydrophobicContact CG-CD 4.43Å; E262-K266 WeakPolarHBondContact O-CG 3.35Å; E262-K266 PolarHBondContact O-N 2.78Å; E262-K266 WeakPolarHBondContact OE1-CE 3.4Å; E262-K266 IonicContact OE1-NZ 3.14Å; E262-K266 PolarHBondContact OE1-NZ 3.47Å
263L96.9Very high95.5Very high0 Ų045.3 Ų45.30%023%0.232CC..Hα-helixtrans-60.2-43.4176.2177.657000111.5L222 W226 L228 L252 T254 D259 L260 K266 A267L222-L263 HydrophobicContact CD1-CD1 4.02Å; L222-L263 HydrophobicContact CD2-CD1 3.77Å; W226-L263 HydrophobicContact CB-CD2 4.39Å; W226-L263 HydrophobicContact CD2-CB 4.43Å; W226-L263 HydrophobicContact CE3-CB 3.72Å; W226-L263 HydrophobicContact CE3-CD1 4.02Å; W226-L263 HydrophobicContact CE3-CD2 4.43Å; W226-L263 HydrophobicContact CE3-CG 4.25Å; W226-L263 HydrophobicContact CZ3-CB 3.78Å; L228-L263 HydrophobicContact CD2-CD1 4.2Å; L252-L263 HydrophobicContact CB-CD2 4Å; L252-L263 HydrophobicContact CB-CG 4.37Å; L252-L263 HydrophobicContact CD2-CG 4.5Å; T254-L263 HydrophobicContact CG2-CB 4.13Å; T254-L263 HydrophobicContact CG2-CD2 3.79Å; D259-L263 PolarHBondContact O-N 2.87Å; L260-L263 PolarHBondContact O-N 2.89Å; L263-K266 PolarHBondContact O-N 3.33Å; L263-A267 WeakPolarHBondContact O-CB 3.1Å; L263-A267 PolarHBondContact O-N 3.37Å
264K96.4Very high95.7Very high37 Ų3742.2 Ų42.216%0.16122%0.221CC..Hα-helixtrans-58.6-51.4177-177.1176.7169.6153.50111L252 L260 W261 E262 K266 A267 E268 Y286L252-K264 HydrophobicContact CD1-CB 4.29Å; L260-K264 VanDerWaalsContact O-CB 3.23Å; L260-K264 WeakPolarHBondContact O-CB 3.27Å; L260-K264 PolarHBondContact O-N 3.39Å; W261-K264 HydrophobicContact CE3-CD 4.12Å; W261-K264 HydrophobicContact CZ3-CD 4.15Å; E262-K264 VanDerWaalsContact C-N 3.31Å; E262-K264 PolarHBondContact O-N 3.27Å; K264-K266 VanDerWaalsContact C-N 3.31Å; K264-K266 PolarHBondContact O-N 3.38Å; K264-A267 PolarHBondContact O-N 2.95Å; K264-E268 WeakPolarHBondContact CE-OE1 3.03Å; K264-E268 HydrophobicContact CG-CG 4.44Å; K264-E268 WeakPolarHBondContact O-CB 3.45Å; K264-E268 WeakPolarHBondContact O-CG 3.35Å; K264-E268 PolarHBondContact O-N 2.96Å; K264-Y286 HydrophobicContact CD-CE1 4.06Å; K264-Y286 HydrophobicContact CD-CE2 4.45Å; K264-Y286 WeakPolarHBondContact CE-OH 3.37Å; K264-Y286 HydrophobicContact CG-CE1 4.32Å; K264-Y286 WeakPolarHBondContact CG-OH 3.5Å
265A96.9Very high95.9Very high62 Ų6242.5 Ų42.551%0.51222%0.223SC..Hα-helixtrans-58.8-42178.600000112.4W261 E262 A269W261-A265 WeakPolarHBondContact O-CB 3.27Å; W261-A265 PolarHBondContact O-N 2.86Å; E262-A265 PolarHBondContact O-N 3.38Å; A265-A269 PolarHBondContact O-N 3.35Å; A265-A269 VanDerWaalsContact O-N 3.07Å
266K98Very high96.2Very high62 Ų6247.9 Ų47.927%0.2725%0.249SC..Hα-helixtrans-63.7-44.6175.8-70.5176-178.9177.70112.1L218 L222 E262 L263 K264 A269 C270L218-K266 HydrophobicContact CD1-CB 4.03Å; L218-K266 HydrophobicContact CD1-CD 4.17Å; L218-K266 HydrophobicContact CD1-CG 4.45Å; L218-K266 HydrophobicContact CD2-CB 3.87Å; L222-K266 HydrophobicContact CD2-CD 4.26Å; E262-K266 HydrophobicContact CG-CD 4.43Å; E262-K266 WeakPolarHBondContact O-CG 3.35Å; E262-K266 PolarHBondContact O-N 2.78Å; E262-K266 WeakPolarHBondContact OE1-CE 3.4Å; E262-K266 IonicContact OE1-NZ 3.14Å; E262-K266 PolarHBondContact OE1-NZ 3.47Å; L263-K266 PolarHBondContact O-N 3.33Å; K264-K266 VanDerWaalsContact C-N 3.31Å; K264-K266 PolarHBondContact O-N 3.38Å; K266-A269 PolarHBondContact O-N 3.25Å; K266-C270 PolarHBondContact O-N 3.39Å; K266-C270 PolarHBondContact O-SG 3.02Å
267A98.2Very high96.6Very high0 Ų047.7 Ų47.70%027%0.265CS..Hα-helixtrans-65.5-44.5178.400000112L215 L252 L263 K264 A269 C270 F271L215-A267 HydrophobicContact CD2-CB 4Å; L252-A267 HydrophobicContact CD1-CB 4.13Å; L252-A267 HydrophobicContact CD2-CB 4.11Å; L263-A267 WeakPolarHBondContact O-CB 3.1Å; L263-A267 PolarHBondContact O-N 3.37Å; K264-A267 PolarHBondContact O-N 2.95Å; A267-A269 VanDerWaalsContact C-N 3.29Å; A267-A269 PolarHBondContact O-N 2.92Å; A267-C270 WeakPolarHBondContact O-CB 3.44Å; A267-C270 PolarHBondContact O-N 2.74Å; A267-C270 VanDerWaalsContact O-N 3.07Å; A267-F271 HydrophobicContact CB-CE2 4.11Å; A267-F271 WeakPolarHBondContact O-CD2 3.32Å; A267-F271 WeakPolarHBondContact O-CG 3.24Å; A267-F271 PolarHBondContact O-N 2.91Å
268E98.4Very high97Very high40 Ų4047.8 Ų47.819%0.18727%0.266CS..Hα-helixtrans-59.3-39.2176-74.7-167.2-153.600112.6K264 C270 F271 R272 I284 Y286K264-E268 WeakPolarHBondContact CE-OE1 3.03Å; K264-E268 HydrophobicContact CG-CG 4.44Å; K264-E268 WeakPolarHBondContact O-CB 3.45Å; K264-E268 WeakPolarHBondContact O-CG 3.35Å; K264-E268 PolarHBondContact O-N 2.96Å; E268-C270 VanDerWaalsContact C-N 3.32Å; E268-C270 PolarHBondContact O-N 3.31Å; E268-F271 PolarHBondContact O-N 3.36Å; E268-R272 WeakPolarHBondContact O-CG 3.48Å; E268-R272 PolarHBondContact O-N 3.06Å; E268-R272 IonicContact OE2-NE 3.29Å; E268-R272 IonicContact OE2-NH2 2.72Å; E268-R272 PolarHBondContact OE2-NH2 2.86Å; E268-I284 HydrophobicContact CB-CD1 4.23Å; E268-I284 HydrophobicContact CG-CD1 4.09Å; E268-I284 HydrophobicContact CG-CG2 4.3Å; E268-Y286 PolarHBondContact OE1-OH 3.12Å
269A98.6Very high97.4Very high58 Ų5848.3 Ų48.348%0.47928%0.279SS..Hα-helixtrans-60.9-41.4174.300000111.8A265 K266 A267 F271 R272 A273A265-A269 PolarHBondContact O-N 3.35Å; A265-A269 VanDerWaalsContact O-N 3.07Å; K266-A269 PolarHBondContact O-N 3.25Å; A267-A269 VanDerWaalsContact C-N 3.29Å; A267-A269 PolarHBondContact O-N 2.92Å; A269-F271 PolarHBondContact O-N 2.84Å; A269-R272 PolarHBondContact O-N 3.3Å; A269-A273 VanDerWaalsContact O-CB 3.24Å; A269-A273 WeakPolarHBondContact O-CB 3.36Å; A269-A273 PolarHBondContact O-N 3.33Å
270C98.7Very high97.7Very high18 Ų1848.2 Ų48.212%0.12228%0.28CS..Hα-helixtrans-62.4-41.1175.4-67.70000112.5N214 L215 K266 A267 E268 A274N214-C270 HydrophobicContact CB-CB 3.71Å; N214-C270 PolarHBondContact ND2-O 3.27Å; N214-C270 VanDerWaalsContact ND2-O 3.16Å; L215-C270 HydrophobicContact CD2-CB 3.89Å; L215-C270 HydrophobicContact CG-CB 4.14Å; K266-C270 PolarHBondContact O-N 3.39Å; K266-C270 PolarHBondContact O-SG 3.02Å; A267-C270 WeakPolarHBondContact O-CB 3.44Å; A267-C270 PolarHBondContact O-N 2.74Å; A267-C270 VanDerWaalsContact O-N 3.07Å; E268-C270 VanDerWaalsContact C-N 3.32Å; E268-C270 PolarHBondContact O-N 3.31Å; C270-A274 PolarHBondContact O-N 2.81Å
271F98.7Very high97.9Very high0 Ų055.3 Ų55.30%031%0.313CS..Hα-helixtrans-65.3-49.4177-60-44000111.6V183 V185 Y187 A211 L215 F250 A267 E268 A269 A273 A274 A275 I284V183-F271 HydrophobicContact CG1-CE2 4.09Å; V183-F271 HydrophobicContact CG1-CZ 4.29Å; V183-F271 HydrophobicContact CG2-CE2 4.46Å; V185-F271 HydrophobicContact CB-CD1 4.44Å; V185-F271 HydrophobicContact CG1-CB 4.07Å; V185-F271 HydrophobicContact CG1-CD1 4.09Å; V185-F271 HydrophobicContact CG1-CG 4.02Å; V185-F271 HydrophobicContact CG2-CD1 3.92Å; V185-F271 HydrophobicContact CG2-CD2 3.63Å; V185-F271 HydrophobicContact CG2-CE1 3.86Å; V185-F271 HydrophobicContact CG2-CE2 3.61Å; V185-F271 HydrophobicContact CG2-CG 3.83Å; V185-F271 HydrophobicContact CG2-CZ 3.73Å; Y187-F271 VanDerWaalsContact OH-CA 3.23Å; Y187-F271 WeakPolarHBondContact OH-CA 3.39Å; Y187-F271 PolarHBondContact OH-O 3.25Å; A211-F271 HydrophobicContact CB-CD1 3.99Å; L215-F271 HydrophobicContact CD1-CD1 4.44Å; L215-F271 HydrophobicContact CD1-CE1 3.46Å; L215-F271 VanDerWaalsContact CD1-CE1 3.46Å; L215-F271 HydrophobicContact CD1-CZ 3.79Å; L215-F271 HydrophobicContact CG-CE1 4.26Å; F250-F271 HydrophobicContact CD2-CZ 4.43Å; F250-F271 HydrophobicContact CG-CZ 4.48Å; A267-F271 HydrophobicContact CB-CE2 4.11Å; A267-F271 WeakPolarHBondContact O-CD2 3.32Å; A267-F271 WeakPolarHBondContact O-CG 3.24Å; A267-F271 PolarHBondContact O-N 2.91Å; E268-F271 PolarHBondContact O-N 3.36Å; A269-F271 PolarHBondContact O-N 2.84Å; F271-A273 VanDerWaalsContact C-N 3.33Å; F271-A273 PolarHBondContact O-N 2.55Å; F271-A274 PolarHBondContact O-N 2.91Å; F271-A275 PolarHBondContact O-N 2.99Å; F271-I284 HydrophobicContact CB-CD1 3.92Å; F271-I284 HydrophobicContact CB-CG1 4.49Å; F271-I284 HydrophobicContact CD2-CD1 4.22Å
272R98.8Very high98.2Very high130 Ų13050.4 Ų50.449%0.49130%0.298SS..Hα-helixtrans-64.5-36.5179.4-66.6175.7-168-76.5-0112.4E268 A269 A274 A275 L276 V282 I284E268-R272 WeakPolarHBondContact O-CG 3.48Å; E268-R272 PolarHBondContact O-N 3.06Å; E268-R272 IonicContact OE2-NE 3.29Å; E268-R272 IonicContact OE2-NH2 2.72Å; E268-R272 PolarHBondContact OE2-NH2 2.86Å; A269-R272 PolarHBondContact O-N 3.3Å; R272-A274 VanDerWaalsContact C-N 3.32Å; R272-A274 PolarHBondContact O-N 3.15Å; R272-A275 WeakPolarHBondContact O-CB 3.42Å; R272-A275 PolarHBondContact O-N 3.23Å; R272-L276 PolarHBondContact O-N 2.86Å; R272-V282 HydrophobicContact CG-CG1 4.34Å; R272-I284 HydrophobicContact CG-CD1 4.06Å
273A98.8Very high98.3Very high47 Ų4750.8 Ų50.839%0.38830%0.3SS..Hα-helixtrans-62.6-38.2176.200000112.3A269 F271 L276 A277A269-A273 VanDerWaalsContact O-CB 3.24Å; A269-A273 WeakPolarHBondContact O-CB 3.36Å; A269-A273 PolarHBondContact O-N 3.33Å; F271-A273 VanDerWaalsContact C-N 3.33Å; F271-A273 PolarHBondContact O-N 2.55Å; A273-L276 PolarHBondContact O-N 3.42Å; A273-A277 WeakPolarHBondContact O-CB 2.99Å; A273-A277 PolarHBondContact O-N 3.34Å
274A98.8Very high98.4Very high0 Ų052.3 Ų52.30%031%0.308CS..Hα-helixtrans-68.9-37.1176.900000112.6Y187 A207 L210 A211 C270 F271 R272 T278Y187-A274 HydrophobicContact CE1-CB 4.47Å; A207-A274 VanDerWaalsContact O-CB 3.23Å; A207-A274 WeakPolarHBondContact O-CB 3.42Å; L210-A274 HydrophobicContact CB-CB 3.85Å; A211-A274 HydrophobicContact CB-CB 3.85Å; C270-A274 PolarHBondContact O-N 2.81Å; F271-A274 PolarHBondContact O-N 2.91Å; R272-A274 VanDerWaalsContact C-N 3.32Å; R272-A274 PolarHBondContact O-N 3.15Å; A274-T278 WeakPolarHBondContact O-CG2 3.33Å; A274-T278 PolarHBondContact O-N 3.47Å; A274-T278 PolarHBondContact O-OG1 3.16Å
275A98.8Very high98.4Very high6 Ų653.3 Ų53.35%0.0531%0.314CS..Hα-helixtrans-59.2-50.9171.500000110.7Y187 F271 R272 A277 T278 G279 C280 V282Y187-A275 HydrophobicContact CD1-CB 4.12Å; Y187-A275 HydrophobicContact CE1-CB 3.82Å; F271-A275 PolarHBondContact O-N 2.99Å; R272-A275 WeakPolarHBondContact O-CB 3.42Å; R272-A275 PolarHBondContact O-N 3.23Å; A275-A277 PolarHBondContact O-N 3.06Å; A275-T278 PolarHBondContact O-N 3.1Å; A275-T278 PolarHBondContact O-OG1 3.07Å; A275-G279 PolarHBondContact O-N 3.36Å; A275-C280 PolarHBondContact O-N 3.35Å; A275-V282 HydrophobicContact CB-CB 3.74Å; A275-V282 HydrophobicContact CB-CG1 3.62Å
276L98.7Very high98.2Very high149 Ų14953.1 Ų53.178%0.7830%0.3SS*.Hα-helixtrans-60.4-45.1-179179.762.6000112.2R272 A273 T278 G279R272-L276 PolarHBondContact O-N 2.86Å; A273-L276 PolarHBondContact O-N 3.42Å; L276-T278 PolarHBondContact O-N 2.92Å; L276-G279 PolarHBondContact O-N 3.19Å
277A98.7Very high97.5Very high77 Ų7753.7 Ų53.764%0.63631%0.311SS*.Hα-helixtrans-64.3-29-178.400000113.3L210 A273 A275L210-A277 HydrophobicContact CD1-CB 4.04Å; A273-A277 WeakPolarHBondContact O-CB 2.99Å; A273-A277 PolarHBondContact O-N 3.34Å; A275-A277 PolarHBondContact O-N 3.06Å
278T98.6Very high96.6Very high33 Ų3355 Ų5520%0.20232%0.321CS..Hα-helixtrans-101.9-11.1-176.856.80000113.9D206 A207 L210 A274 A275 L276 C280D206-T278 HydrophobicContact CB-CG2 4.11Å; A207-T278 HydrophobicContact CB-CG2 4.08Å; A207-T278 WeakPolarHBondContact CB-OG1 3.05Å; L210-T278 HydrophobicContact CD1-CG2 3.73Å; A274-T278 WeakPolarHBondContact O-CG2 3.33Å; A274-T278 PolarHBondContact O-N 3.47Å; A274-T278 PolarHBondContact O-OG1 3.16Å; A275-T278 PolarHBondContact O-N 3.1Å; A275-T278 PolarHBondContact O-OG1 3.07Å; L276-T278 PolarHBondContact O-N 2.92Å; T278-C280 VanDerWaalsContact C-N 3.28Å; T278-C280 PolarHBondContact OG1-N 3.38Å; T278-C280 PolarHBondContact OG1-SG 2.85Å
279G98.5Very high96.2Very high56 Ų5655.7 Ų55.758%0.57732%0.324SS*.THydrogen-bonded Turntrans75.712.6-171.500000114.1V202 A275 L276V202-G279 WeakPolarHBondContact CG1-O 3.49Å; A275-G279 PolarHBondContact O-N 3.36Å; L276-G279 PolarHBondContact O-N 3.19Å
280C98.8Very high96Very high13 Ų1354.3 Ų54.39%0.08831%0.31CS..  trans-74.8156.2174.7-66.10000111.7Y187 H188 V202 A207 A275 T278Y187-C280 HydrophobicContact CD1-CB 4.19Å; H188-C280 WeakPolarHBondContact O-CA 3.23Å; V202-C280 HydrophobicContact CG1-CB 4.47Å; A207-C280 HydrophobicContact CB-CB 4.29Å; A275-C280 PolarHBondContact O-N 3.35Å; T278-C280 VanDerWaalsContact C-N 3.28Å; T278-C280 PolarHBondContact OG1-N 3.38Å; T278-C280 PolarHBondContact OG1-SG 2.85Å
281Q98.7Very high95.8Very high149 Ų14954.5 Ų54.570%0.69631%0.308SS*.EExtended strand (participates in β ladder)trans-83.7150.8158-64.4177.8-8.500109.3Y187 H188Y187-Q281 WeakPolarHBondContact CA-O 3.12Å; H188-Q281 HydrophobicContact CB-CB 4.32Å; H188-Q281 PolarHBondContact N-O 2.93Å; H188-Q281 PolarHBondContact O-N 3.44Å
282V98.8Very high95.7Very high34 Ų3454.8 Ų54.821%0.20631%0.31CS..EExtended strand (participates in β ladder)trans-131.4133.9177.963.60000111.1V185 K186 Y187 R272 A275 I284V185-V282 HydrophobicContact CG1-CG2 3.66Å; K186-V282 CarbonylContact O-C 3.59Å; K186-V282 WeakPolarHBondContact O-CA 3.01Å; Y187-V282 HydrophobicContact CD1-CB 3.78Å; Y187-V282 HydrophobicContact CD1-CG2 3.82Å; Y187-V282 HydrophobicContact CE1-CB 3.69Å; Y187-V282 HydrophobicContact CE1-CG2 3.45Å; Y187-V282 VanDerWaalsContact CE1-CG2 3.45Å; R272-V282 HydrophobicContact CG-CG1 4.34Å; A275-V282 HydrophobicContact CB-CB 3.74Å; A275-V282 HydrophobicContact CB-CG1 3.62Å; V282-I284 HydrophobicContact CG2-CG1 4.03Å
283E98.4Very high95.5Very high95 Ų9549.1 Ų49.144%0.44429%0.289SS..EExtended strand (participates in β ladder)trans-110128.6167.2-59.6179-172.900108.3V185 K186 H188 I285V185-E283 WeakPolarHBondContact CA-O 3.48Å; K186-E283 HydrophobicContact CB-CB 4.31Å; K186-E283 PolarHBondContact N-O 3.39Å; K186-E283 PolarHBondContact O-N 2.74Å; H188-E283 IonicContact NE2-OE1 3.47Å; E283-I285 HydrophobicContact CB-CD1 4.47Å; E283-I285 HydrophobicContact CB-CG1 4.47Å
284I98.3Very high95.3Very high33 Ų3347.2 Ų47.217%0.16927%0.273CS..EExtended strand (participates in β ladder)trans-116114.5177.3-55.5178.2000106.7V183 V185 E268 F271 R272 V282 Y286V183-I284 HydrophobicContact CG2-CG2 3.46Å; V183-I284 VanDerWaalsContact CG2-CG2 3.46Å; V185-I284 HydrophobicContact CG1-CG1 4.47Å; E268-I284 HydrophobicContact CB-CD1 4.23Å; E268-I284 HydrophobicContact CG-CD1 4.09Å; E268-I284 HydrophobicContact CG-CG2 4.3Å; F271-I284 HydrophobicContact CB-CD1 3.92Å; F271-I284 HydrophobicContact CB-CG1 4.49Å; F271-I284 HydrophobicContact CD2-CD1 4.22Å; R272-I284 HydrophobicContact CG-CD1 4.06Å; V282-I284 HydrophobicContact CG2-CG1 4.03Å; I284-Y286 HydrophobicContact CG2-CE2 3.81Å
285I96.9Very high95.2Very high58 Ų5847.6 Ų47.630%0.29728%0.275SS..EExtended strand (participates in β ladder)trans-120.6132.4-169.3-56.3167.8000108.1V183 S184 K186 E283 P287V183-I285 CarbonylContact C-O 3.54Å; V183-I285 WeakPolarHBondContact CA-O 3.49Å; S184-I285 PolarHBondContact N-O 3.46Å; S184-I285 PolarHBondContact O-N 3.46Å; K186-I285 HydrophobicContact CD-CD1 3.91Å; E283-I285 HydrophobicContact CB-CD1 4.47Å; E283-I285 HydrophobicContact CB-CG1 4.47Å; I285-P287 WeakPolarHBondContact O-CD 3.18Å
286Y92.4Very high95Very high57 Ų5749.5 Ų49.522%0.22429%0.287CS..  trans-106.392.4171.5-69-90.1000106.9A181 E182 V183 K264 E268 I284A181-Y286 HydrophobicContact CB-CD1 4.39Å; A181-Y286 HydrophobicContact CB-CE1 4.43Å; E182-Y286 WeakPolarHBondContact O-CD1 3.18Å; V183-Y286 HydrophobicContact CB-CD1 4.2Å; V183-Y286 HydrophobicContact CB-CE1 3.7Å; V183-Y286 HydrophobicContact CG2-CD1 4.48Å; V183-Y286 HydrophobicContact CG2-CE1 3.92Å; V183-Y286 HydrophobicContact CG2-CE2 4.11Å; K264-Y286 HydrophobicContact CD-CE1 4.06Å; K264-Y286 HydrophobicContact CD-CE2 4.45Å; K264-Y286 WeakPolarHBondContact CE-OH 3.37Å; K264-Y286 HydrophobicContact CG-CE1 4.32Å; K264-Y286 WeakPolarHBondContact CG-OH 3.5Å; E268-Y286 PolarHBondContact OE1-OH 3.12Å; I284-Y286 HydrophobicContact CG2-CE2 3.81Å
287P82.1Confident95Very high75 Ų7543.1 Ų43.149%0.48725%0.253SS..  trans-75-28.3-166.729.5-35.3000113.3E182 I285E182-P287 HydrophobicContact CB-CG 4.46Å; E182-P287 HydrophobicContact CG-CG 4.15Å; E182-P287 VanDerWaalsContact OE1-CG 3.28Å; E182-P287 WeakPolarHBondContact OE1-CG 3.48Å; I285-P287 WeakPolarHBondContact O-CD 3.18Å
288A79.1Confident94.9Very high26 Ų2645.3 Ų45.322%0.21525%0.25CS..SBendtrans-112.3163.5177.700000111
289H91.8Very high94.9Very high55 Ų5544.7 Ų44.726%0.25525%0.246SC..PPolyproline II helixtrans-63.5154.3172.4-69.6-56.7000111.6I144 I148 D149 Y291I144-H289 PolarHBondContact O-CD2 3.34Å; I148-H289 HydrophobicContact CB-CB 4.19Å; I148-H289 HydrophobicContact CD1-CB 3.37Å; I148-H289 HydrophobicContact CG1-CB 4.35Å; I148-H289 HydrophobicContact CG2-CB 4.03Å; D149-H289 IonicContact OD1-CD2 3.91Å; D149-H289 IonicContact OD1-CE1 3.9Å; D149-H289 PolarHBondContact OD1-CE1 3.2Å; D149-H289 IonicContact OD1-NE2 3.79Å; D149-H289 PolarHBondContact OD1-NE2 3.16Å; D149-H289 IonicContact OD2-NE2 3.64Å; H289-Y291 WeakPolarHBondContact O-CD1 3.25Å
290T93.9Very high94.9Very high30 Ų3042 Ų4218%0.18422%0.219CC..PPolyproline II helixtrans-78.7123.1170.5-64.40000109.5T179 L257 L260 N330T179-T290 HydrophobicContact CG2-CG2 4.12Å; L257-T290 HydrophobicContact CD1-CG2 3.93Å; L260-T290 HydrophobicContact CD2-CG2 3.33Å; T290-N330 PolarHBondContact O-ND2 2.94Å
291Y95.2Very high94.9Very high22 Ų2241.8 Ų41.89%0.08622%0.219CC..BIsolated β-bridgetrans-90.1126.6176.7-73.228.6000107.7E141 G145 I148 T179 I180 H289 T326 D327 N330E141-Y291 VanDerWaalsContact O-CE2 3.23Å; E141-Y291 WeakPolarHBondContact O-CE2 3.4Å; E141-Y291 VanDerWaalsContact O-CZ 3.29Å; E141-Y291 PolarHBondContact O-OH 3.06Å; G145-Y291 WeakPolarHBondContact CA-OH 3.37Å; G145-Y291 PolarHBondContact N-OH 2.96Å; I148-Y291 HydrophobicContact CD1-CD1 3.89Å; I148-Y291 HydrophobicContact CD1-CE1 4.14Å; T179-Y291 CarbonylContact C-O 3.3Å; T179-Y291 WeakPolarHBondContact CA-O 3.31Å; T179-Y291 WeakPolarHBondContact CG2-O 3.3Å; I180-Y291 HydrophobicContact CG2-CG 4.38Å; I180-Y291 PolarHBondContact N-O 3.29Å; I180-Y291 PolarHBondContact O-N 2.94Å; H289-Y291 WeakPolarHBondContact O-CD1 3.25Å; Y291-T326 VanDerWaalsContact CD2-C 3.43Å; Y291-D327 HydrophobicContact CD1-CB 4.45Å; Y291-D327 HydrophobicContact CD2-CB 4.2Å; Y291-D327 VanDerWaalsContact CD2-N 3.34Å; Y291-D327 HydrophobicContact CE1-CB 4.29Å; Y291-D327 HydrophobicContact CE2-CB 4.01Å; Y291-D327 HydrophobicContact CG-CB 4.42Å; Y291-N330 WeakPolarHBondContact CA-OD1 3.24Å
292S95.3Very high94.9Very high5 Ų539.4 Ų39.44%0.03522%0.215CC..PPolyproline II helixtrans-87.2161.6-177.7-50.50000110.9G329 N330 F333S292-G329 WeakPolarHBondContact O-CA 3.4Å; S292-N330 PolarHBondContact N-OD1 2.91Å; S292-N330 PolarHBondContact OG-ND2 3.04Å; S292-F333 VanDerWaalsContact CB-CE2 3.46Å
293N95Very high94.9Very high11 Ų1139.3 Ų39.36%0.05921%0.213CC..PPolyproline II helixtrans-64.6157.1165.857.1-64.7000110.8T177 T179 P255 R256 L257 G329 F333 E403T177-N293 VanDerWaalsContact O-CB 3.31Å; T177-N293 WeakPolarHBondContact O-CB 3.43Å; T179-N293 PolarHBondContact OG1-N 3.19Å; T179-N293 PolarHBondContact OG1-OD1 2.81Å; P255-N293 VanDerWaalsContact O-CB 3.29Å; P255-N293 WeakPolarHBondContact O-CB 3.32Å; R256-N293 WeakPolarHBondContact CA-OD1 3.42Å; L257-N293 PolarHBondContact N-OD1 3.28Å; N293-G329 WeakPolarHBondContact O-CA 3.2Å; N293-F333 VanDerWaalsContact O-CE2 3.29Å; N293-F333 WeakPolarHBondContact O-CE2 3.27Å; N293-E403 PolarHBondContact ND2-OE1 3.08Å
294I95.6Very high94.9Very high8 Ų834.8 Ų34.84%0.04119%0.192CC..PPolyproline II helixtrans-79.8129173.3-65.1171.2000109.1F174 T177 T326 F328 H339F174-I294 HydrophobicContact CE2-CB 4.29Å; F174-I294 HydrophobicContact CE2-CG2 4.01Å; T177-I294 HydrophobicContact CG2-CD1 3.65Å; T177-I294 HydrophobicContact CG2-CG1 4.11Å; T177-I294 WeakPolarHBondContact OG1-CG1 3.44Å; T177-I294 PolarHBondContact OG1-N 3.17Å; I294-T326 HydrophobicContact CD1-CG2 3.71Å; I294-T326 HydrophobicContact CG1-CG2 4.13Å; I294-F328 HydrophobicContact CD1-CD1 4.1Å; I294-F328 HydrophobicContact CG1-CD1 4.12Å; I294-F328 HydrophobicContact CG2-CD1 4.36Å; I294-F328 HydrophobicContact CG2-CE1 4.45Å; I294-H339 HydrophobicContact CD1-CB 4.06Å
295L95.8Very high94.9Very high8 Ų836.9 Ų36.94%0.04220%0.2CC..PPolyproline II helixtrans-74.7121.3169.3-60.7-166.3000109.8S332 F333 A399 E403L295-S332 WeakPolarHBondContact CD1-O 3.38Å; L295-S332 PolarHBondContact N-OG 3.26Å; L295-F333 HydrophobicContact CD1-CB 4.48Å; L295-F333 HydrophobicContact CD1-CD1 3.88Å; L295-F333 HydrophobicContact CD1-CD2 4.2Å; L295-F333 HydrophobicContact CD1-CE1 4.13Å; L295-F333 HydrophobicContact CD1-CE2 4.41Å; L295-F333 HydrophobicContact CD1-CG 3.93Å; L295-F333 HydrophobicContact CD1-CZ 4.39Å; L295-F333 HydrophobicContact CD2-CD2 4.41Å; L295-F333 HydrophobicContact CD2-CE1 4.05Å; L295-F333 HydrophobicContact CD2-CE2 3.84Å; L295-F333 HydrophobicContact CD2-CZ 3.65Å; L295-F333 HydrophobicContact CG-CD1 4.4Å; L295-F333 HydrophobicContact CG-CD2 3.98Å; L295-F333 HydrophobicContact CG-CE1 4.35Å; L295-F333 HydrophobicContact CG-CE2 3.9Å; L295-F333 HydrophobicContact CG-CG 4.23Å; L295-F333 HydrophobicContact CG-CZ 4.11Å; L295-A399 HydrophobicContact CB-CB 4Å; L295-A399 HydrophobicContact CD1-CB 4.4Å; L295-E403 HydrophobicContact CD2-CG 3.64Å
296P94.9Very high95Very high46 Ų4635.8 Ų35.830%0.29920%0.203SC..PPolyproline II helixtrans-70.4140.1-179.128.6-34.1000111.1F174F174-P296 HydrophobicContact CD2-CB 4.39Å; F174-P296 HydrophobicContact CE1-CB 4.31Å; F174-P296 HydrophobicContact CE2-CB 4.01Å; F174-P296 HydrophobicContact CZ-CB 3.96Å
297N98Very high95.3Very high14 Ų1433.6 Ų33.68%0.07520%0.195CC..  trans-116.894165.8-163.5-69.9000108.9T299 L300 G301 G337 V392N297-T299 VanDerWaalsContact C-N 3.27Å; N297-T299 PolarHBondContact O-N 3.34Å; N297-L300 HydrophobicContact CB-CB 4.16Å; N297-L300 HydrophobicContact CB-CD1 4.08Å; N297-L300 HydrophobicContact CB-CG 4.29Å; N297-L300 PolarHBondContact O-N 3.35Å; N297-L300 WeakPolarHBondContact OD1-CG 3.14Å; N297-L300 PolarHBondContact OD1-N 3.06Å; N297-L300 VanDerWaalsContact OD1-N 3.09Å; N297-G301 PolarHBondContact O-N 2.92Å; N297-G337 WeakPolarHBondContact CB-O 3.5Å; N297-V392 PolarHBondContact ND2-O 3.39Å
298E97.5Very high96.1Very high123 Ų12330 Ų3058%0.57517%0.172SC*.Hα-helixtrans-61.3-36.4-172.1-67.8-178.3-168.300112.3G301 T302 D395E298-G301 PolarHBondContact O-N 3.48Å; E298-T302 VanDerWaalsContact O-CB 3.32Å; E298-T302 WeakPolarHBondContact O-CB 3.2Å; E298-T302 PolarHBondContact O-N 2.8Å; E298-T302 PolarHBondContact O-OG1 2.88Å; E298-D395 PolarHBondContact N-OD2 2.86Å
299T98.6Very high97Very high20 Ų2033.7 Ų33.712%0.12318%0.184CC..Hα-helixtrans-62.4-52176.1-60.70000111.1N297 G301 T302 L303 L388 R391 V392 D395N297-T299 VanDerWaalsContact C-N 3.27Å; N297-T299 PolarHBondContact O-N 3.34Å; T299-G301 VanDerWaalsContact C-N 3.35Å; T299-G301 PolarHBondContact O-N 3.21Å; T299-T302 PolarHBondContact O-N 2.79Å; T299-L303 HydrophobicContact CG2-CD1 4.13Å; T299-L303 VanDerWaalsContact O-CG 3.28Å; T299-L303 WeakPolarHBondContact O-CG 3.41Å; T299-L303 PolarHBondContact O-N 2.76Å; T299-L388 HydrophobicContact CG2-CD2 4.19Å; T299-R391 HydrophobicContact CG2-CB 4.16Å; T299-V392 HydrophobicContact CG2-CG2 3.69Å; T299-D395 WeakPolarHBondContact CB-OD2 3.41Å; T299-D395 PolarHBondContact N-OD2 2.95Å; T299-D395 PolarHBondContact OG1-OD2 2.9Å
300L98.8Very high97.4Very high0 Ų034.9 Ų34.90%020%0.204CC..Hα-helixtrans-62.1-42.9176.9-68.4177.2000111.4F163 N297 T302 L303 Y304 I338 T378 V382 V392F163-L300 HydrophobicContact CE1-CD2 4.01Å; F163-L300 HydrophobicContact CZ-CD2 3.94Å; N297-L300 HydrophobicContact CB-CB 4.16Å; N297-L300 HydrophobicContact CB-CD1 4.08Å; N297-L300 HydrophobicContact CB-CG 4.29Å; N297-L300 PolarHBondContact O-N 3.35Å; N297-L300 WeakPolarHBondContact OD1-CG 3.14Å; N297-L300 PolarHBondContact OD1-N 3.06Å; N297-L300 VanDerWaalsContact OD1-N 3.09Å; L300-T302 VanDerWaalsContact C-N 3.33Å; L300-T302 PolarHBondContact O-N 2.97Å; L300-L303 PolarHBondContact O-N 3.06Å; L300-Y304 WeakPolarHBondContact O-CB 3.39Å; L300-Y304 PolarHBondContact O-N 2.7Å; L300-I338 HydrophobicContact CB-CB 3.97Å; L300-I338 HydrophobicContact CB-CD1 4.15Å; L300-I338 HydrophobicContact CB-CG1 4.38Å; L300-I338 HydrophobicContact CB-CG2 4.43Å; L300-I338 HydrophobicContact CD1-CB 4.14Å; L300-I338 HydrophobicContact CD1-CG2 4.44Å; L300-T378 HydrophobicContact CD2-CG2 3.96Å; L300-V382 HydrophobicContact CD2-CG2 3.77Å; L300-V392 HydrophobicContact CD1-CG1 3.97Å; L300-V392 HydrophobicContact CD2-CG1 4.31Å; L300-V392 HydrophobicContact CD2-CG2 3.75Å; L300-V392 HydrophobicContact CG-CG1 4.01Å; L300-V392 HydrophobicContact CG-CG2 3.82Å
301G98.3Very high97.6Very high8 Ų834.8 Ų34.88%0.08220%0.202CC..Hα-helixtrans-59.7-42.1178.600000112.9S173 N297 E298 T299 K305S173-G301 WeakPolarHBondContact CB-O 3.42Å; N297-G301 PolarHBondContact O-N 2.92Å; E298-G301 PolarHBondContact O-N 3.48Å; T299-G301 VanDerWaalsContact C-N 3.35Å; T299-G301 PolarHBondContact O-N 3.21Å; G301-K305 WeakPolarHBondContact O-CB 3.23Å; G301-K305 PolarHBondContact O-N 2.99Å
302T98.5Very high97.7Very high100 Ų10035.7 Ų35.761%0.61322%0.218SC*.Hα-helixtrans-67-43.4177.9-60.20000111.6E298 T299 L300 K305 G306E298-T302 VanDerWaalsContact O-CB 3.32Å; E298-T302 WeakPolarHBondContact O-CB 3.2Å; E298-T302 PolarHBondContact O-N 2.8Å; E298-T302 PolarHBondContact O-OG1 2.88Å; T299-T302 PolarHBondContact O-N 2.79Å; L300-T302 VanDerWaalsContact C-N 3.33Å; L300-T302 PolarHBondContact O-N 2.97Å; T302-K305 PolarHBondContact O-N 2.83Å; T302-G306 PolarHBondContact O-N 3.12Å
303L98.7Very high97.8Very high32 Ų3236 Ų3617%0.16822%0.219CC..Hα-helixtrans-65-44176.8-69.3171.8000111.5T299 L300 K305 G306 N307 T378 D381 V382 L388T299-L303 HydrophobicContact CG2-CD1 4.13Å; T299-L303 VanDerWaalsContact O-CG 3.28Å; T299-L303 WeakPolarHBondContact O-CG 3.41Å; T299-L303 PolarHBondContact O-N 2.76Å; L300-L303 PolarHBondContact O-N 3.06Å; L303-K305 PolarHBondContact O-N 3.3Å; L303-G306 PolarHBondContact O-N 2.99Å; L303-N307 WeakPolarHBondContact O-CB 3.38Å; L303-N307 VanDerWaalsContact O-CG 3.32Å; L303-N307 PolarHBondContact O-N 2.81Å; L303-N307 PolarHBondContact O-ND2 2.91Å; L303-T378 HydrophobicContact CB-CG2 3.65Å; L303-T378 HydrophobicContact CD1-CG2 4.33Å; L303-D381 HydrophobicContact CD1-CB 4.16Å; L303-D381 HydrophobicContact CD2-CB 4.08Å; L303-V382 HydrophobicContact CD1-CG2 3.92Å; L303-L388 HydrophobicContact CD1-CD1 4.14Å; L303-L388 HydrophobicContact CD2-CD1 4.12Å
304Y98.8Very high97.9Very high0 Ų040.6 Ų40.60%025%0.247CC..Hα-helixtrans-59.9-46.8176.2178.3-96.6000111.4L300 G306 N307 G308 M313 F315 I338 P340 A374 L375 T378L300-Y304 WeakPolarHBondContact O-CB 3.39Å; L300-Y304 PolarHBondContact O-N 2.7Å; Y304-G306 PolarHBondContact O-N 2.99Å; Y304-N307 PolarHBondContact O-N 3.04Å; Y304-G308 PolarHBondContact O-N 3.2Å; Y304-M313 HydrophobicContact CE1-CE 4.33Å; Y304-M313 WeakPolarHBondContact OH-CE 3.38Å; Y304-F315 HydrophobicContact CD1-CE1 4Å; Y304-F315 AromaticContact CD1-CZ 3.97Å; Y304-F315 HydrophobicContact CD1-CZ 3.97Å; Y304-F315 AromaticContact CE1-CE1 3.73Å; Y304-F315 HydrophobicContact CE1-CE1 3.73Å; Y304-F315 AromaticContact CE1-CZ 3.73Å; Y304-F315 HydrophobicContact CE1-CZ 3.73Å; Y304-I338 HydrophobicContact CG-CD1 4.1Å; Y304-P340 HydrophobicContact CD1-CB 3.55Å; Y304-P340 HydrophobicContact CD1-CG 3.75Å; Y304-P340 HydrophobicContact CD2-CG 3.83Å; Y304-P340 HydrophobicContact CE1-CB 3.31Å; Y304-P340 HydrophobicContact CE1-CG 3.51Å; Y304-P340 HydrophobicContact CE2-CB 4.36Å; Y304-P340 HydrophobicContact CE2-CG 3.6Å; Y304-P340 HydrophobicContact CG-CB 4.16Å; Y304-P340 HydrophobicContact CG-CG 3.89Å; Y304-P340 VanDerWaalsContact CZ-CG 3.42Å; Y304-A374 HydrophobicContact CD2-CB 3.86Å; Y304-A374 HydrophobicContact CE2-CB 3.55Å; Y304-L375 HydrophobicContact CD2-CD2 3.92Å; Y304-L375 HydrophobicContact CD2-CG 4.35Å; Y304-L375 HydrophobicContact CE2-CD2 3.86Å; Y304-L375 HydrophobicContact CE2-CG 3.93Å; Y304-T378 VanDerWaalsContact CA-OG1 3.27Å; Y304-T378 WeakPolarHBondContact CA-OG1 3.33Å; Y304-T378 PolarHBondContact N-OG1 2.89Å
305K98.6Very high98Very high77 Ų7741.3 Ų41.334%0.33525%0.25SS..Hα-helixtrans-56.5-53176.4-177.4173.9176.4171.30111.5G301 T302 L303 N307 G308 E309 F315G301-K305 WeakPolarHBondContact O-CB 3.23Å; G301-K305 PolarHBondContact O-N 2.99Å; T302-K305 PolarHBondContact O-N 2.83Å; L303-K305 PolarHBondContact O-N 3.3Å; K305-N307 VanDerWaalsContact C-N 3.35Å; K305-N307 PolarHBondContact O-N 3.4Å; K305-G308 PolarHBondContact O-N 2.75Å; K305-E309 WeakPolarHBondContact CE-OE1 2.86Å; K305-E309 HydrophobicContact CG-CG 4.46Å; K305-E309 WeakPolarHBondContact O-CG 3.43Å; K305-E309 PolarHBondContact O-N 2.8Å; K305-F315 HydrophobicContact CB-CE2 4.43Å; K305-F315 HydrophobicContact CD-CB 4.32Å; K305-F315 HydrophobicContact CD-CG 4.36Å; K305-F315 HydrophobicContact CG-CB 4.34Å; K305-F315 HydrophobicContact CG-CD1 4.38Å; K305-F315 HydrophobicContact CG-CD2 3.71Å; K305-F315 HydrophobicContact CG-CE2 4.05Å; K305-F315 HydrophobicContact CG-CG 3.89Å; K305-F315 WeakPolarHBondContact O-CE2 3.36Å
306G98.6Very high97.8Very high35 Ų3543.4 Ų43.436%0.36126%0.264SS..Hα-helixtrans-63.2-38.2-179.100000113.4T302 L303 Y304 A310T302-G306 PolarHBondContact O-N 3.12Å; L303-G306 PolarHBondContact O-N 2.99Å; Y304-G306 PolarHBondContact O-N 2.99Å; G306-A310 PolarHBondContact O-N 2.77Å
307N98.8Very high97.3Very high11 Ų1150.5 Ų50.56%0.05929%0.293CS..Hα-helixtrans-67.8-40.3174.3-74.1-41.8000112K8 L303 Y304 K305 A310 L311 A374 M377 T378 D381K8-N307 PolarHBondContact NZ-OD1 2.96Å; L303-N307 WeakPolarHBondContact O-CB 3.38Å; L303-N307 VanDerWaalsContact O-CG 3.32Å; L303-N307 PolarHBondContact O-N 2.81Å; L303-N307 PolarHBondContact O-ND2 2.91Å; Y304-N307 PolarHBondContact O-N 3.04Å; K305-N307 VanDerWaalsContact C-N 3.35Å; K305-N307 PolarHBondContact O-N 3.4Å; N307-A310 PolarHBondContact O-N 3.32Å; N307-L311 WeakPolarHBondContact O-CG 3.4Å; N307-L311 PolarHBondContact O-N 3.1Å; N307-A374 HydrophobicContact CB-CB 4.4Å; N307-M377 HydrophobicContact CB-CB 4.07Å; N307-M377 HydrophobicContact CB-CE 4.17Å; N307-T378 WeakPolarHBondContact ND2-CA 3.44Å; N307-T378 PolarHBondContact ND2-N 3.11Å; N307-T378 PolarHBondContact ND2-OG1 3.28Å; N307-D381 PolarHBondContact ND2-OD2 2.66Å; N307-D381 PolarHBondContact OD1-OD2 3.05Å
308G98.7Very high96.4Very high0 Ų052.8 Ų52.80%030%0.303CS..Hα-helixtrans-64.8-44.1176.400000112.6Y304 K305 A310 L311 G312 M313Y304-G308 PolarHBondContact O-N 3.2Å; K305-G308 PolarHBondContact O-N 2.75Å; G308-A310 VanDerWaalsContact C-N 3.3Å; G308-A310 PolarHBondContact O-N 3.5Å; G308-L311 CarbonylContact O-C 3.45Å; G308-L311 WeakPolarHBondContact O-CA 3.27Å; G308-L311 WeakPolarHBondContact O-CB 3.48Å; G308-L311 PolarHBondContact O-N 3.19Å; G308-G312 PolarHBondContact O-N 3.36Å; G308-G312 VanDerWaalsContact O-N 3.09Å; G308-M313 VanDerWaalsContact CA-SD 3.54Å; G308-M313 WeakPolarHBondContact O-CB 3.45Å; G308-M313 WeakPolarHBondContact O-CG 3.36Å; G308-M313 PolarHBondContact O-N 3.14Å
309E98.6Very high94.8Very high103 Ų10351.5 Ų51.548%0.48131%0.306SS..Hα-helixtrans-59.5-41.2176.2-74172.4168.500111.4K305 L311 G312 F315K305-E309 WeakPolarHBondContact CE-OE1 2.86Å; K305-E309 HydrophobicContact CG-CG 4.46Å; K305-E309 WeakPolarHBondContact O-CG 3.43Å; K305-E309 PolarHBondContact O-N 2.8Å; E309-L311 PolarHBondContact O-N 2.89Å; E309-G312 PolarHBondContact O-N 3.26Å; E309-F315 HydrophobicContact CG-CD2 3.92Å; E309-F315 HydrophobicContact CG-CE2 4.18Å
310A98.4Very high93Very high80 Ų8055.1 Ų55.166%0.66134%0.338SS*.Hα-helixtrans-62.9-22.2174.400000113.4G306 N307 G308G306-A310 PolarHBondContact O-N 2.77Å; N307-A310 PolarHBondContact O-N 3.32Å; G308-A310 VanDerWaalsContact C-N 3.3Å; G308-A310 PolarHBondContact O-N 3.5Å
311L98.3Very high91.2Very high28 Ų2860.2 Ų60.215%0.14737%0.373CS..THydrogen-bonded Turntrans-95.7-1.3175.9-65167.2000113.1N307 G308 E309 R370 K373 A374 M377N307-L311 WeakPolarHBondContact O-CG 3.4Å; N307-L311 PolarHBondContact O-N 3.1Å; G308-L311 CarbonylContact O-C 3.45Å; G308-L311 WeakPolarHBondContact O-CA 3.27Å; G308-L311 WeakPolarHBondContact O-CB 3.48Å; G308-L311 PolarHBondContact O-N 3.19Å; E309-L311 PolarHBondContact O-N 2.89Å; L311-R370 HydrophobicContact CB-CG 4.36Å; L311-R370 WeakPolarHBondContact CD1-O 3.47Å; L311-R370 PolarHBondContact O-NE 3.29Å; L311-K373 HydrophobicContact CD1-CB 3.55Å; L311-K373 HydrophobicContact CD2-CB 4.38Å; L311-K373 HydrophobicContact CD2-CD 4.35Å; L311-A374 HydrophobicContact CD1-CB 4.03Å; L311-M377 HydrophobicContact CD1-SD 3.85Å; L311-M377 HydrophobicContact CD2-SD 4.35Å; L311-M377 HydrophobicContact CG-SD 4.28Å
312G97.9Very high89.8Confident41 Ų4164 Ų6442%0.42339%0.387SS..THydrogen-bonded Turntrans87.622.4179.700000115.2G308 E309G308-G312 PolarHBondContact O-N 3.36Å; G308-G312 VanDerWaalsContact O-N 3.09Å; E309-G312 PolarHBondContact O-N 3.26Å
313M98.3Very high88.4Confident12 Ų1263.1 Ų63.16%0.05939%0.385CS..  trans-76152.3167-59.3178.568.200110.4D171 Y304 G308 F315 F342 R370 A374D171-M313 HydrophobicContact CB-CE 4.01Å; D171-M313 VanDerWaalsContact OD1-CE 3.26Å; D171-M313 WeakPolarHBondContact OD1-CE 3.31Å; D171-M313 WeakPolarHBondContact OD2-CB 3.16Å; Y304-M313 HydrophobicContact CE1-CE 4.33Å; Y304-M313 WeakPolarHBondContact OH-CE 3.38Å; G308-M313 VanDerWaalsContact CA-SD 3.54Å; G308-M313 WeakPolarHBondContact O-CB 3.45Å; G308-M313 WeakPolarHBondContact O-CG 3.36Å; G308-M313 PolarHBondContact O-N 3.14Å; M313-F315 HydrophobicContact CB-CD2 4.47Å; M313-F315 HydrophobicContact CB-CE2 3.75Å; M313-F315 HydrophobicContact CB-CZ 4.18Å; M313-F315 HydrophobicContact CE-CZ 4Å; M313-F315 HydrophobicContact SD-CZ 4.36Å; M313-F342 HydrophobicContact CE-CB 3.91Å; M313-R370 HydrophobicContact CG-CB 4.23Å; M313-R370 HydrophobicContact SD-CB 4.34Å; M313-A374 HydrophobicContact SD-CB 4.18Å
314V97.1Very high87.7Confident107 Ų10762.8 Ų62.865%0.64839%0.39SS*.  trans-126.4115.4-177.9179.60000109D171 P316D171-V314 VanDerWaalsContact CB-O 3.31Å; D171-V314 WeakPolarHBondContact CB-O 3.29Å; D171-V314 PolarHBondContact OD2-N 2.88Å; V314-P316 WeakPolarHBondContact O-CD 3.48Å
315F96.3Very high87.3Confident23 Ų2364.4 Ų64.410%0.10140%0.401CS..  trans-101.189.1-177.5-64.5-91000110.7D171 Y304 K305 E309 M313D171-F315 HydrophobicContact CB-CD1 3.85Å; D171-F315 HydrophobicContact CB-CE1 3.86Å; D171-F315 HydrophobicContact CB-CG 4.27Å; D171-F315 HydrophobicContact CB-CZ 4.29Å; Y304-F315 HydrophobicContact CD1-CE1 4Å; Y304-F315 AromaticContact CD1-CZ 3.97Å; Y304-F315 HydrophobicContact CD1-CZ 3.97Å; Y304-F315 AromaticContact CE1-CE1 3.73Å; Y304-F315 HydrophobicContact CE1-CE1 3.73Å; Y304-F315 AromaticContact CE1-CZ 3.73Å; Y304-F315 HydrophobicContact CE1-CZ 3.73Å; K305-F315 HydrophobicContact CB-CE2 4.43Å; K305-F315 HydrophobicContact CD-CB 4.32Å; K305-F315 HydrophobicContact CD-CG 4.36Å; K305-F315 HydrophobicContact CG-CB 4.34Å; K305-F315 HydrophobicContact CG-CD1 4.38Å; K305-F315 HydrophobicContact CG-CD2 3.71Å; K305-F315 HydrophobicContact CG-CE2 4.05Å; K305-F315 HydrophobicContact CG-CG 3.89Å; K305-F315 WeakPolarHBondContact O-CE2 3.36Å; E309-F315 HydrophobicContact CG-CD2 3.92Å; E309-F315 HydrophobicContact CG-CE2 4.18Å; M313-F315 HydrophobicContact CB-CD2 4.47Å; M313-F315 HydrophobicContact CB-CE2 3.75Å; M313-F315 HydrophobicContact CB-CZ 4.18Å; M313-F315 HydrophobicContact CE-CZ 4Å; M313-F315 HydrophobicContact SD-CZ 4.36Å
316P92.6Very high87.2Confident51 Ų5161 Ų6133%0.33139%0.387SS..  trans-63.7163.4174.128.3-35.8000111.6Q170 D171 V314 H318Q170-P316 HydrophobicContact CB-CG 4.09Å; Q170-P316 HydrophobicContact CG-CG 4.35Å; Q170-P316 VanDerWaalsContact OE1-CG 3.24Å; D171-P316 WeakPolarHBondContact O-CD 3.46Å; V314-P316 WeakPolarHBondContact O-CD 3.48Å; P316-H318 PolarHBondContact O-CD2 2.83Å; P316-H318 VanDerWaalsContact O-CD2 3.24Å; P316-H318 PolarHBondContact O-NE2 3.25Å
317E85.1Confident87.1Confident196 Ų19659.3 Ų59.392%0.91637%0.37SS*.  trans-69.9132.2167.7-67.4-171.9168.200109.7
318H77.6Confident87.1Confident62 Ų6258.8 Ų58.829%0.28737%0.367SS..  trans-105.1142.5179.2-69.4-72.9000110.4Q170 D171 A172 L175 P316Q170-H318 PolarHBondContact OE1-CE1 2.82Å; D171-H318 PolarHBondContact O-NE2 3.06Å; A172-H318 WeakPolarHBondContact CB-NE2 3.36Å; L175-H318 HydrophobicContact CD2-CB 3.73Å; P316-H318 PolarHBondContact O-CD2 2.83Å; P316-H318 VanDerWaalsContact O-CD2 3.24Å; P316-H318 PolarHBondContact O-NE2 3.25Å
319P63.7Low87Confident96 Ų9658.8 Ų58.862%0.62337%0.367SS*.  trans-60.7144.1169.925.6-31.5000109.7S321P319-S321 PolarHBondContact O-N 3.13Å
320A60.5Low87Confident96 Ų9655 Ų5579%0.79335%0.349SS*.SBendtrans-62.7-11.9-176.600000114.2
321S61.8Low87Confident106 Ų10651.1 Ų51.174%0.74132%0.318SS*.  trans-109.395.2-17969.10000111.4P319P319-S321 PolarHBondContact O-N 3.13Å
322F68.1Low86.9Confident87 Ų8750 Ų5038%0.38231%0.312SS..  trans-107145.2162.7-171.3-98.5000108.8L175 P176 F341L175-F322 HydrophobicContact CB-CB 4.14Å; L175-F322 HydrophobicContact CB-CD1 3.87Å; L175-F322 HydrophobicContact CB-CE1 4.42Å; L175-F322 HydrophobicContact CB-CG 3.94Å; L175-F322 HydrophobicContact CD1-CD1 4.33Å; L175-F322 HydrophobicContact CD1-CD2 3.94Å; L175-F322 HydrophobicContact CD1-CE1 4.28Å; L175-F322 HydrophobicContact CD1-CE2 3.89Å; L175-F322 HydrophobicContact CD1-CG 4.16Å; L175-F322 HydrophobicContact CD1-CZ 4.07Å; P176-F322 CarbonylContact O-C 3.56Å; P176-F322 WeakPolarHBondContact O-CB 3.41Å; P176-F322 WeakPolarHBondContact O-CD1 3.33Å; F322-F341 HydrophobicContact CE1-CZ 4.44Å
323S70.6Confident86.9Confident82 Ų8250 Ų5057%0.57330%0.301SS*.  trans-121.312.8-166.461.80000114.8R253R253-S323 PolarHBondContact NH1-O 3.42Å
324G84.1Confident86.9Confident26 Ų2653.3 Ų53.327%0.26832%0.318SS..  trans-68.5159.9172.900000112.4T177 V178T177-G324 CarbonylContact C-O 3.56Å; T177-G324 WeakPolarHBondContact CA-O 3.47Å; T177-G324 WeakPolarHBondContact CB-O 3.39Å; V178-G324 PolarHBondContact N-O 3.11Å
325S90.7Very high86.9Confident33 Ų3348.5 Ų48.523%0.23129%0.288CS..  trans-136.6147.2173.9-65.30000107.6V178 I180V178-S325 WeakPolarHBondContact CG2-OG 3.28Å; V178-S325 PolarHBondContact O-OG 3.31Å; I180-S325 WeakPolarHBondContact CG2-OG 3.36Å
326T95.4Very high87Confident6 Ų648 Ų484%0.03729%0.288CS..  trans-155.1147.8177.5175.10000109.7E141 T177 Y291 I294 F328 G329E141-T326 WeakPolarHBondContact OE1-CA 3.44Å; E141-T326 WeakPolarHBondContact OE1-CB 3.21Å; E141-T326 PolarHBondContact OE1-OG1 2.89Å; T177-T326 HydrophobicContact CG2-CG2 4.33Å; Y291-T326 VanDerWaalsContact CD2-C 3.43Å; I294-T326 HydrophobicContact CD1-CG2 3.71Å; I294-T326 HydrophobicContact CG1-CG2 4.13Å; T326-F328 HydrophobicContact CG2-CB 3.89Å; T326-F328 PolarHBondContact O-N 2.99Å; T326-F328 PolarHBondContact OG1-N 3.48Å; T326-G329 PolarHBondContact O-N 2.92Å
327D96.8Very high87.3Confident0 Ų045.8 Ų45.80%027%0.274CS..THydrogen-bonded Turntrans-71.5-8.4175.469.9-5000112.6E141 G145 G146 K147 I148 Y291 G329 N330 V331E141-D327 WeakPolarHBondContact CG-OD1 3.42Å; G145-D327 VanDerWaalsContact C-OD2 3.23Å; G145-D327 WeakPolarHBondContact CA-OD2 3.4Å; G146-D327 PolarHBondContact N-OD2 3.3Å; K147-D327 HydrophobicContact CB-CB 4.24Å; K147-D327 VanDerWaalsContact CB-OD2 3.28Å; K147-D327 WeakPolarHBondContact CB-OD2 3.32Å; K147-D327 WeakPolarHBondContact CD-OD1 3.33Å; K147-D327 VanDerWaalsContact CE-OD1 3.3Å; K147-D327 WeakPolarHBondContact CE-OD1 3.26Å; K147-D327 WeakPolarHBondContact CG-OD2 3.41Å; K147-D327 PolarHBondContact N-OD2 3.45Å; K147-D327 IonicContact NZ-OD1 3.71Å; K147-D327 PolarHBondContact NZ-OD1 2.96Å; K147-D327 IonicContact NZ-OD2 3.87Å; I148-D327 HydrophobicContact CD1-CB 4.04Å; I148-D327 HydrophobicContact CG1-CB 4.11Å; Y291-D327 HydrophobicContact CD1-CB 4.45Å; Y291-D327 HydrophobicContact CD2-CB 4.2Å; Y291-D327 VanDerWaalsContact CD2-N 3.34Å; Y291-D327 HydrophobicContact CE1-CB 4.29Å; Y291-D327 HydrophobicContact CE2-CB 4.01Å; Y291-D327 HydrophobicContact CG-CB 4.42Å; D327-G329 PolarHBondContact O-N 3.27Å; D327-N330 WeakPolarHBondContact O-CB 3.02Å; D327-N330 PolarHBondContact O-N 3.47Å; D327-V331 PolarHBondContact O-N 3.5Å
328F98Very high87.9Confident0 Ų037 Ų370%023%0.233CC..Hα-helixtrans-57.9-30163.2-172.1-86.2000111.4L90 I162 M164 I294 T326 N330 V331 S332 I338 H339L90-F328 HydrophobicContact CD1-CD2 3.66Å; L90-F328 HydrophobicContact CD1-CE2 3.78Å; I162-F328 HydrophobicContact CG2-CE2 4.25Å; I162-F328 HydrophobicContact CG2-CZ 4.05Å; M164-F328 HydrophobicContact CB-CD2 3.92Å; M164-F328 HydrophobicContact CB-CE2 3.69Å; M164-F328 HydrophobicContact CG-CD2 4.48Å; M164-F328 HydrophobicContact SD-CB 4.46Å; M164-F328 HydrophobicContact SD-CD2 3.68Å; M164-F328 HydrophobicContact SD-CE2 4.39Å; M164-F328 HydrophobicContact SD-CG 4.41Å; I294-F328 HydrophobicContact CD1-CD1 4.1Å; I294-F328 HydrophobicContact CG1-CD1 4.12Å; I294-F328 HydrophobicContact CG2-CD1 4.36Å; I294-F328 HydrophobicContact CG2-CE1 4.45Å; T326-F328 HydrophobicContact CG2-CB 3.89Å; T326-F328 PolarHBondContact O-N 2.99Å; T326-F328 PolarHBondContact OG1-N 3.48Å; F328-N330 VanDerWaalsContact C-N 3.25Å; F328-N330 PolarHBondContact O-N 3.4Å; F328-V331 WeakPolarHBondContact O-CB 3.34Å; F328-V331 PolarHBondContact O-N 3.26Å; F328-V331 VanDerWaalsContact O-N 3.09Å; F328-S332 PolarHBondContact O-N 3.07Å; F328-I338 WeakPolarHBondContact CZ-O 3.05Å; F328-H339 HydrophobicContact CD1-CB 3.41Å; F328-H339 VanDerWaalsContact CD1-CB 3.41Å; F328-H339 HydrophobicContact CD2-CB 4.29Å; F328-H339 HydrophobicContact CE1-CB 3.44Å; F328-H339 VanDerWaalsContact CE1-CB 3.44Å; F328-H339 HydrophobicContact CE2-CB 4.31Å; F328-H339 HydrophobicContact CG-CB 3.87Å; F328-H339 AromaticContact CG-CD2 3.7Å; F328-H339 HydrophobicContact CZ-CB 3.9Å
329G97.1Very high88.9Confident0 Ų034.2 Ų34.20%022%0.221CC..Hα-helixtrans-49.9-50.5171.400000110.7S292 N293 T326 D327 V331 S332 F333S292-G329 WeakPolarHBondContact O-CA 3.4Å; N293-G329 WeakPolarHBondContact O-CA 3.2Å; T326-G329 PolarHBondContact O-N 2.92Å; D327-G329 PolarHBondContact O-N 3.27Å; G329-V331 VanDerWaalsContact C-N 3.34Å; G329-V331 PolarHBondContact O-N 3.06Å; G329-S332 WeakPolarHBondContact O-CB 3.46Å; G329-S332 PolarHBondContact O-N 2.81Å; G329-S332 VanDerWaalsContact O-N 3.08Å; G329-S332 PolarHBondContact O-OG 3.49Å; G329-F333 VanDerWaalsContact O-CD2 3.28Å; G329-F333 WeakPolarHBondContact O-CD2 3.45Å; G329-F333 PolarHBondContact O-N 2.85Å
330N97.8Very high90.5Very high22 Ų2229.7 Ų29.712%0.11819%0.191CC..Hα-helixtrans-63.1-37.5179.3-57.764.8000112.6I148 I151 T290 Y291 S292 D327 F328 S332 F333I148-N330 HydrophobicContact CD1-CB 4.3Å; I148-N330 VanDerWaalsContact CD1-CG 3.5Å; I148-N330 WeakPolarHBondContact CD1-ND2 3.41Å; I148-N330 HydrophobicContact CG1-CB 3.77Å; I151-N330 HydrophobicContact CD1-CB 3.89Å; T290-N330 PolarHBondContact O-ND2 2.94Å; Y291-N330 WeakPolarHBondContact CA-OD1 3.24Å; S292-N330 PolarHBondContact N-OD1 2.91Å; S292-N330 PolarHBondContact OG-ND2 3.04Å; D327-N330 WeakPolarHBondContact O-CB 3.02Å; D327-N330 PolarHBondContact O-N 3.47Å; F328-N330 VanDerWaalsContact C-N 3.25Å; F328-N330 PolarHBondContact O-N 3.4Å; N330-S332 VanDerWaalsContact C-N 3.32Å; N330-S332 PolarHBondContact O-N 2.94Å; N330-F333 PolarHBondContact O-N 3.24Å
331V98.3Very high92.2Very high0 Ų025.6 Ų25.60%016%0.155CC..Hα-helixtrans-63.2-40.9174.2-175.60000110.9K147 I151 F156 I162 D327 F328 G329 F333 I334 V335K147-V331 HydrophobicContact CB-CG2 3.85Å; K147-V331 HydrophobicContact CD-CG2 3.81Å; K147-V331 HydrophobicContact CG-CG2 4.26Å; I151-V331 HydrophobicContact CD1-CG2 4.06Å; F156-V331 HydrophobicContact CD1-CG1 3.79Å; F156-V331 HydrophobicContact CE1-CB 4.41Å; F156-V331 HydrophobicContact CE1-CG1 3.57Å; F156-V331 HydrophobicContact CE1-CG2 3.86Å; F156-V331 HydrophobicContact CE2-CG2 4.31Å; F156-V331 HydrophobicContact CZ-CG1 4.26Å; F156-V331 HydrophobicContact CZ-CG2 3.69Å; I162-V331 HydrophobicContact CG1-CG1 4.29Å; I162-V331 HydrophobicContact CG2-CG1 3.89Å; D327-V331 PolarHBondContact O-N 3.5Å; F328-V331 WeakPolarHBondContact O-CB 3.34Å; F328-V331 PolarHBondContact O-N 3.26Å; F328-V331 VanDerWaalsContact O-N 3.09Å; G329-V331 VanDerWaalsContact C-N 3.34Å; G329-V331 PolarHBondContact O-N 3.06Å; V331-F333 PolarHBondContact O-N 3.46Å; V331-F333 VanDerWaalsContact O-N 3.1Å; V331-I334 VanDerWaalsContact O-CG1 3.23Å; V331-I334 WeakPolarHBondContact O-CG1 3.46Å; V331-I334 PolarHBondContact O-N 3.13Å; V331-V335 PolarHBondContact O-N 2.85Å
332S97.7Very high94Very high3 Ų320.5 Ų20.52%0.02112%0.12CC..Hα-helixtrans-65.7-12.3-17978.80000114.4L295 F328 G329 N330 F396L295-S332 WeakPolarHBondContact CD1-O 3.38Å; L295-S332 PolarHBondContact N-OG 3.26Å; F328-S332 PolarHBondContact O-N 3.07Å; G329-S332 WeakPolarHBondContact O-CB 3.46Å; G329-S332 PolarHBondContact O-N 2.81Å; G329-S332 VanDerWaalsContact O-N 3.08Å; G329-S332 PolarHBondContact O-OG 3.49Å; N330-S332 VanDerWaalsContact C-N 3.32Å; N330-S332 PolarHBondContact O-N 2.94Å; S332-F396 WeakPolarHBondContact O-CE2 3.4Å
333F97.1Very high95.4Very high43 Ų4318.3 Ų18.319%0.18911%0.111CC..THydrogen-bonded Turntrans-83.3-20.5171.1-83.8-98.7000113.6L257 S292 N293 L295 G329 N330 V331 F396 E403L257-F333 HydrophobicContact CB-CZ 4.03Å; L257-F333 HydrophobicContact CD2-CE1 4.17Å; L257-F333 HydrophobicContact CD2-CE2 4.49Å; L257-F333 HydrophobicContact CD2-CZ 4.04Å; S292-F333 VanDerWaalsContact CB-CE2 3.46Å; N293-F333 VanDerWaalsContact O-CE2 3.29Å; N293-F333 WeakPolarHBondContact O-CE2 3.27Å; L295-F333 HydrophobicContact CD1-CB 4.48Å; L295-F333 HydrophobicContact CD1-CD1 3.88Å; L295-F333 HydrophobicContact CD1-CD2 4.2Å; L295-F333 HydrophobicContact CD1-CE1 4.13Å; L295-F333 HydrophobicContact CD1-CE2 4.41Å; L295-F333 HydrophobicContact CD1-CG 3.93Å; L295-F333 HydrophobicContact CD1-CZ 4.39Å; L295-F333 HydrophobicContact CD2-CD2 4.41Å; L295-F333 HydrophobicContact CD2-CE1 4.05Å; L295-F333 HydrophobicContact CD2-CE2 3.84Å; L295-F333 HydrophobicContact CD2-CZ 3.65Å; L295-F333 HydrophobicContact CG-CD1 4.4Å; L295-F333 HydrophobicContact CG-CD2 3.98Å; L295-F333 HydrophobicContact CG-CE1 4.35Å; L295-F333 HydrophobicContact CG-CE2 3.9Å; L295-F333 HydrophobicContact CG-CG 4.23Å; L295-F333 HydrophobicContact CG-CZ 4.11Å; G329-F333 VanDerWaalsContact O-CD2 3.28Å; G329-F333 WeakPolarHBondContact O-CD2 3.45Å; G329-F333 PolarHBondContact O-N 2.85Å; N330-F333 PolarHBondContact O-N 3.24Å; V331-F333 PolarHBondContact O-N 3.46Å; V331-F333 VanDerWaalsContact O-N 3.1Å; F333-F396 WeakPolarHBondContact O-CZ 2.94Å; F333-E403 HydrophobicContact CE1-CB 4.02Å; F333-E403 HydrophobicContact CE1-CG 3.75Å; F333-E403 HydrophobicContact CZ-CB 4.48Å; F333-E403 HydrophobicContact CZ-CG 3.78Å
334I97.8Very high96.7Very high81 Ų8114.4 Ų14.442%0.4158%0.083SC..THydrogen-bonded Turntrans-114-24.1-174.162.1146.1000113.6I151 F156 V331I151-I334 HydrophobicContact CB-CD1 4.39Å; I151-I334 HydrophobicContact CD1-CD1 4.16Å; I151-I334 HydrophobicContact CD1-CG1 4.35Å; I151-I334 HydrophobicContact CG1-CD1 3.67Å; I151-I334 HydrophobicContact CG1-CG1 4.4Å; I151-I334 HydrophobicContact CG2-CD1 4.04Å; F156-I334 HydrophobicContact CB-CD1 3.52Å; F156-I334 HydrophobicContact CD2-CD1 4.33Å; F156-I334 HydrophobicContact CG-CD1 3.99Å; V331-I334 VanDerWaalsContact O-CG1 3.23Å; V331-I334 WeakPolarHBondContact O-CG1 3.46Å; V331-I334 PolarHBondContact O-N 3.13Å
335V98.1Very high97.2Very high5 Ų513.9 Ų13.93%0.038%0.078CC..SBendtrans-135.6131.2179.3-177.80000109F156 V159 I162 V331 G337F156-V335 HydrophobicContact CB-CG2 4.09Å; V159-V335 HydrophobicContact CB-CG1 4.46Å; V159-V335 HydrophobicContact CG1-CG1 4.08Å; I162-V335 HydrophobicContact CB-CG1 3.95Å; I162-V335 HydrophobicContact CG2-CB 4.18Å; I162-V335 HydrophobicContact CG2-CG1 3.96Å; V331-V335 PolarHBondContact O-N 2.85Å; V335-G337 PolarHBondContact O-N 3.48Å
336P98.3Very high97.5Very high13 Ų1313.4 Ų13.48%0.0847%0.074CC..  trans-61.5130.2172.926.5-35.5000110.5D160 L161 I162 V392 F396D160-P336 WeakPolarHBondContact O-CG 3.41Å; L161-P336 WeakPolarHBondContact CA-O 3.37Å; L161-P336 HydrophobicContact CD2-CB 4.45Å; L161-P336 HydrophobicContact CD2-CG 4.07Å; I162-P336 PolarHBondContact N-O 2.88Å; P336-V392 HydrophobicContact CB-CG1 4.06Å; P336-F396 HydrophobicContact CB-CB 3.73Å; P336-F396 HydrophobicContact CB-CD1 4.45Å; P336-F396 HydrophobicContact CB-CD2 4.06Å; P336-F396 HydrophobicContact CB-CG 3.84Å
337G98Very high97.5Very high5 Ų519.8 Ų19.85%0.05211%0.108CC..EExtended strand (participates in β ladder)trans-164.2-175.1-176.300000115.2I162 N297 V335I162-G337 CarbonylContact O-C 3.55Å; I162-G337 WeakPolarHBondContact O-CA 3.28Å; N297-G337 WeakPolarHBondContact CB-O 3.5Å; V335-G337 PolarHBondContact O-N 3.48Å
338I98.5Very high97.4Very high10 Ų1020.5 Ų20.55%0.05111%0.114CC..EExtended strand (participates in β ladder)trans-140142.5178.6-165.6-174.6000111I162 F163 M164 L300 Y304 F328 P340 L375I162-I338 PolarHBondContact O-N 3.05Å; F163-I338 HydrophobicContact CD1-CG2 3.45Å; F163-I338 VanDerWaalsContact CD1-CG2 3.45Å; F163-I338 HydrophobicContact CE1-CG2 3.88Å; F163-I338 HydrophobicContact CG-CG2 4.32Å; M164-I338 PolarHBondContact N-O 2.97Å; M164-I338 VanDerWaalsContact O-O 3.07Å; L300-I338 HydrophobicContact CB-CB 3.97Å; L300-I338 HydrophobicContact CB-CD1 4.15Å; L300-I338 HydrophobicContact CB-CG1 4.38Å; L300-I338 HydrophobicContact CB-CG2 4.43Å; L300-I338 HydrophobicContact CD1-CB 4.14Å; L300-I338 HydrophobicContact CD1-CG2 4.44Å; Y304-I338 HydrophobicContact CG-CD1 4.1Å; F328-I338 WeakPolarHBondContact CZ-O 3.05Å; I338-P340 HydrophobicContact CD1-CB 4.22Å; I338-P340 HydrophobicContact CD1-CG 3.98Å; I338-P340 HydrophobicContact CG1-CB 4.47Å; I338-P340 HydrophobicContact CG1-CG 4.19Å; I338-L375 HydrophobicContact CG2-CD2 4.12Å
339H98Very high97.1Very high5 Ų525.5 Ų25.52%0.02314%0.14CC..  trans-133.977.6171.7177.7-71.9000108.5M164 H166 I294 F328 F341M164-H339 VanDerWaalsContact CE-CD2 3.5Å; M164-H339 WeakPolarHBondContact CE-CD2 3.4Å; M164-H339 WeakPolarHBondContact CE-NE2 2.99Å; M164-H339 WeakPolarHBondContact O-CA 3.35Å; H166-H339 WeakPolarHBondContact CB-CE1 3.3Å; H166-H339 AromaticContact CD2-CE1 3.94Å; H166-H339 AromaticContact CD2-NE2 3.8Å; H166-H339 AromaticContact CG-CE1 3.91Å; I294-H339 HydrophobicContact CD1-CB 4.06Å; F328-H339 HydrophobicContact CD1-CB 3.41Å; F328-H339 VanDerWaalsContact CD1-CB 3.41Å; F328-H339 HydrophobicContact CD2-CB 4.29Å; F328-H339 HydrophobicContact CE1-CB 3.44Å; F328-H339 VanDerWaalsContact CE1-CB 3.44Å; F328-H339 HydrophobicContact CE2-CB 4.31Å; F328-H339 HydrophobicContact CG-CB 3.87Å; F328-H339 AromaticContact CG-CD2 3.7Å; F328-H339 HydrophobicContact CZ-CB 3.9Å; H339-F341 AromaticContact CE1-CE1 3.91Å; H339-F341 AromaticContact CE1-CZ 3.68Å; H339-F341 AromaticContact ND1-CE2 3.91Å; H339-F341 AromaticContact ND1-CZ 3.75Å
340P97.8Very high97Very high0 Ų027.6 Ų27.60%015%0.151CC..  trans-79.7172.7173.833.1-22.2000110.5M164 A165 H166 A172 Y304 I338 L375M164-P340 WeakPolarHBondContact O-CD 3.36Å; A165-P340 WeakPolarHBondContact CA-O 3.18Å; A165-P340 HydrophobicContact CB-CG 3.99Å; H166-P340 PolarHBondContact N-O 2.88Å; A172-P340 CarbonylContact O-C 3.56Å; A172-P340 WeakPolarHBondContact O-CA 3.34Å; A172-P340 VanDerWaalsContact O-CB 3.22Å; A172-P340 WeakPolarHBondContact O-CB 3.45Å; Y304-P340 HydrophobicContact CD1-CB 3.55Å; Y304-P340 HydrophobicContact CD1-CG 3.75Å; Y304-P340 HydrophobicContact CD2-CG 3.83Å; Y304-P340 HydrophobicContact CE1-CB 3.31Å; Y304-P340 HydrophobicContact CE1-CG 3.51Å; Y304-P340 HydrophobicContact CE2-CB 4.36Å; Y304-P340 HydrophobicContact CE2-CG 3.6Å; Y304-P340 HydrophobicContact CG-CB 4.16Å; Y304-P340 HydrophobicContact CG-CG 3.89Å; Y304-P340 VanDerWaalsContact CZ-CG 3.42Å; I338-P340 HydrophobicContact CD1-CB 4.22Å; I338-P340 HydrophobicContact CD1-CG 3.98Å; I338-P340 HydrophobicContact CG1-CB 4.47Å; I338-P340 HydrophobicContact CG1-CG 4.19Å; P340-L375 HydrophobicContact CG-CD2 3.98Å
341F97.3Very high96.8Very high10 Ų1031.1 Ų31.14%0.04417%0.167CC..EExtended strand (participates in β ladder)trans-114.6148.6177.6-60.1-98000110.8H166 A168 D171 A172 L175 F322 H339H166-F341 HydrophobicContact CB-CD1 3.79Å; H166-F341 HydrophobicContact CB-CE1 3.89Å; H166-F341 CarbonylContact O-C 3.52Å; H166-F341 WeakPolarHBondContact O-CA 3.37Å; A168-F341 HydrophobicContact CB-CB 3.87Å; A168-F341 HydrophobicContact CB-CD1 3.96Å; A168-F341 HydrophobicContact CB-CG 4.34Å; D171-F341 WeakPolarHBondContact CA-O 3.45Å; A172-F341 HydrophobicContact CB-CB 4.07Å; A172-F341 HydrophobicContact CB-CD2 4.24Å; A172-F341 PolarHBondContact N-O 3.13Å; A172-F341 PolarHBondContact O-N 3.22Å; L175-F341 HydrophobicContact CB-CD2 3.96Å; L175-F341 HydrophobicContact CB-CE2 3.54Å; L175-F341 HydrophobicContact CB-CZ 4.16Å; L175-F341 HydrophobicContact CD1-CB 4.47Å; L175-F341 HydrophobicContact CD1-CD1 4.21Å; L175-F341 HydrophobicContact CD1-CD2 3.62Å; L175-F341 HydrophobicContact CD1-CE1 4.37Å; L175-F341 HydrophobicContact CD1-CE2 3.83Å; L175-F341 HydrophobicContact CD1-CG 3.83Å; L175-F341 HydrophobicContact CD1-CZ 4.19Å; L175-F341 HydrophobicContact CG-CD2 3.65Å; L175-F341 HydrophobicContact CG-CE2 3.78Å; L175-F341 HydrophobicContact CG-CG 4.34Å; F322-F341 HydrophobicContact CE1-CZ 4.44Å; H339-F341 AromaticContact CE1-CE1 3.91Å; H339-F341 AromaticContact CE1-CZ 3.68Å; H339-F341 AromaticContact ND1-CE2 3.91Å; H339-F341 AromaticContact ND1-CZ 3.75Å
342F98.2Very high96.7Very high0 Ų033.5 Ų33.50%018%0.181CC..EExtended strand (participates in β ladder)trans-133.713817766.4-85.1000112.1L107 V111 A165 H166 P167 A168 D171 M313 I344 A368 A371L107-F342 HydrophobicContact CB-CZ 4.15Å; V111-F342 HydrophobicContact CG2-CE1 4.07Å; V111-F342 HydrophobicContact CG2-CE2 4.48Å; V111-F342 HydrophobicContact CG2-CZ 3.79Å; A165-F342 HydrophobicContact CB-CD1 3.96Å; A165-F342 HydrophobicContact CB-CE1 4.18Å; H166-F342 VanDerWaalsContact C-CE1 3.41Å; H166-F342 VanDerWaalsContact O-CD1 3.28Å; H166-F342 WeakPolarHBondContact O-CD1 3.5Å; H166-F342 PolarHBondContact O-N 3.05Å; P167-F342 CarbonylContact C-O 3.57Å; P167-F342 WeakPolarHBondContact CA-O 3.41Å; P167-F342 HydrophobicContact CB-CE1 4.17Å; P167-F342 HydrophobicContact CB-CE2 3.99Å; P167-F342 HydrophobicContact CB-CZ 3.74Å; P167-F342 HydrophobicContact CG-CZ 4.37Å; A168-F342 PolarHBondContact N-O 2.86Å; D171-F342 VanDerWaalsContact OD1-CA 3.27Å; D171-F342 WeakPolarHBondContact OD1-CA 3.5Å; M313-F342 HydrophobicContact CE-CB 3.91Å; F342-I344 HydrophobicContact CD2-CG2 3.96Å; F342-I344 HydrophobicContact CE2-CG2 3.68Å; F342-A368 HydrophobicContact CE2-CB 4.19Å; F342-A371 HydrophobicContact CB-CB 3.75Å; F342-A371 HydrophobicContact CD1-CB 3.65Å; F342-A371 HydrophobicContact CD2-CB 3.95Å; F342-A371 HydrophobicContact CE1-CB 4.19Å; F342-A371 HydrophobicContact CE2-CB 4.46Å; F342-A371 HydrophobicContact CG-CB 3.51Å
343H97.7Very high96.7Very high40 Ų4039.9 Ų39.919%0.18521%0.211CC..EExtended strand (participates in β ladder)trans-65.2145.6176.217962.7000111A168 Q169 D171 G345 T346 Y367A168-H343 WeakPolarHBondContact O-CA 3.15Å; Q169-H343 PolarHBondContact O-CE1 3.48Å; Q169-H343 PolarHBondContact O-ND1 3.07Å; D171-H343 PolarHBondContact OD1-N 3.46Å; H343-G345 PolarHBondContact CD2-N 3.27Å; H343-G345 VanDerWaalsContact CD2-N 3.26Å; H343-G345 PolarHBondContact CE1-N 3.29Å; H343-G345 WeakPolarHBondContact NE2-CA 3.33Å; H343-G345 PolarHBondContact NE2-N 3.13Å; H343-G345 VanDerWaalsContact NE2-N 3.13Å; H343-T346 PolarHBondContact CE1-N 3.49Å; H343-T346 VanDerWaalsContact CE1-N 3.29Å; H343-T346 PolarHBondContact CE1-O 3.26Å; H343-T346 VanDerWaalsContact CE1-O 3.27Å; H343-Y367 AromaticContact CD2-CE1 3.57Å; H343-Y367 AromaticContact CD2-CZ 3.84Å; H343-Y367 WeakPolarHBondContact O-CB 3.48Å; H343-Y367 WeakPolarHBondContact O-CD1 3.31Å
344I97.5Very high96.7Very high0 Ų045.1 Ų45.10%023%0.234CC..  trans-117.117.3178.565.9168.7000114.5L107 P167 A168 F342 T346 Y355 A358 A359 A364L107-I344 HydrophobicContact CD1-CB 4.36Å; L107-I344 HydrophobicContact CD1-CD1 4.38Å; L107-I344 HydrophobicContact CD1-CG2 3.73Å; P167-I344 HydrophobicContact CB-CG2 3.45Å; P167-I344 VanDerWaalsContact CB-CG2 3.45Å; A168-I344 PolarHBondContact O-N 3.02Å; F342-I344 HydrophobicContact CD2-CG2 3.96Å; F342-I344 HydrophobicContact CE2-CG2 3.68Å; I344-T346 HydrophobicContact CD1-CG2 3.94Å; I344-T346 HydrophobicContact CG1-CG2 3.59Å; I344-Y355 HydrophobicContact CD1-CD1 4.45Å; I344-Y355 HydrophobicContact CD1-CE1 3.81Å; I344-Y355 HydrophobicContact CD1-CE2 3.9Å; I344-Y355 VanDerWaalsContact CD1-CZ 3.49Å; I344-Y355 WeakPolarHBondContact CD1-OH 3.17Å; I344-Y355 HydrophobicContact CG1-CE2 4.37Å; I344-A358 HydrophobicContact CD1-CB 4.08Å; I344-A359 HydrophobicContact CD1-CB 4.38Å; I344-A364 HydrophobicContact CB-CB 4.2Å
345G96.3Very high96.7Very high16 Ų1641.3 Ų41.317%0.16521%0.214CC..SBendtrans82.125.3-179.100000113.5H343 K363H343-G345 PolarHBondContact CD2-N 3.27Å; H343-G345 VanDerWaalsContact CD2-N 3.26Å; H343-G345 PolarHBondContact CE1-N 3.29Å; H343-G345 WeakPolarHBondContact NE2-CA 3.33Å; H343-G345 PolarHBondContact NE2-N 3.13Å; H343-G345 VanDerWaalsContact NE2-N 3.13Å; G345-K363 VanDerWaalsContact O-CE 3.29Å; G345-K363 WeakPolarHBondContact O-CE 3.2Å; G345-K363 PolarHBondContact O-NZ 3.28Å
346T96.1Very high96.7Very high23 Ų2341.5 Ų41.514%0.14122%0.216CC..  trans-143.1150-178.7-162.50000111.9H343 I344 A348 Y355 A358H343-T346 PolarHBondContact CE1-N 3.49Å; H343-T346 VanDerWaalsContact CE1-N 3.29Å; H343-T346 PolarHBondContact CE1-O 3.26Å; H343-T346 VanDerWaalsContact CE1-O 3.27Å; I344-T346 HydrophobicContact CD1-CG2 3.94Å; I344-T346 HydrophobicContact CG1-CG2 3.59Å; T346-A348 HydrophobicContact CG2-CB 4.09Å; T346-A348 WeakPolarHBondContact OG1-CB 3.34Å; T346-A348 PolarHBondContact OG1-N 3.49Å; T346-Y355 HydrophobicContact CG2-CD2 4.07Å; T346-Y355 HydrophobicContact CG2-CE2 3.97Å; T346-A358 HydrophobicContact CG2-CB 3.66Å
347D94.3Very high96.7Very high139 Ų13947.2 Ų47.274%0.74324%0.242SC*.  trans-997.2167.9-59.2-42.1000111.7Q169Q169-D347 PolarHBondContact NE2-O 3.27Å
348A94.9Very high96.7Very high15 Ų1547.3 Ų47.312%0.12424%0.242CC..PPolyproline II helixtrans-63.4145.8172.800000110.5Q169 T346 K354 Y355Q169-A348 WeakPolarHBondContact CG-O 3.44Å; Q169-A348 PolarHBondContact NE2-O 3.22Å; T346-A348 HydrophobicContact CG2-CB 4.09Å; T346-A348 WeakPolarHBondContact OG1-CB 3.34Å; T346-A348 PolarHBondContact OG1-N 3.49Å; A348-K354 HydrophobicContact CB-CB 3.88Å; A348-Y355 HydrophobicContact CB-CD2 4.03Å; A348-Y355 WeakPolarHBondContact O-CD2 3.23Å; A348-Y355 WeakPolarHBondContact O-CE2 3.47Å
349L92.8Very high96.7Very high105 Ų10546.9 Ų46.955%0.5524%0.24SC..PPolyproline II helixtrans-84.3142.3174.2-69.3164.2000109.8Q169 T352 Y355Q169-L349 VanDerWaalsContact CD-CD2 3.5Å; Q169-L349 VanDerWaalsContact NE2-CD2 3.26Å; L349-T352 HydrophobicContact CB-CG2 4.32Å; L349-T352 WeakPolarHBondContact O-CB 3.44Å; L349-T352 WeakPolarHBondContact O-CG2 3.33Å; L349-T352 PolarHBondContact O-OG1 2.7Å; L349-Y355 VanDerWaalsContact O-CB 3.24Å; L349-Y355 WeakPolarHBondContact O-CB 3.36Å
350N93.7Very high96.6Very high44 Ų4447 Ų4724%0.23524%0.242CC..THydrogen-bonded Turntrans-50.3151.8169.4-63.361.7000110.5P167 T352 Y355P167-N350 PolarHBondContact O-ND2 3.49Å; N350-T352 VanDerWaalsContact C-N 3.31Å; N350-T352 PolarHBondContact O-N 2.84Å; N350-Y355 WeakPolarHBondContact OD1-CE2 2.94Å
351H94.2Very high96.6Very high96 Ų9648.3 Ų48.344%0.44425%0.253SS..THydrogen-bonded Turntrans66.530.8-178.5-53.1-157.3000112.8L96 A102 C103 E142L96-H351 HydrophobicContact CD1-CB 4.13Å; A102-H351 PolarHBondContact O-N 3.08Å; C103-H351 PolarHBondContact SG-NE2 2.84Å; E142-H351 IonicContact OE1-CE1 3.86Å; E142-H351 IonicContact OE1-NE2 3.77Å; E142-H351 PolarHBondContact OE1-NE2 2.88Å; E142-H351 IonicContact OE2-CE1 3.92Å; E142-H351 PolarHBondContact OE2-CE1 3.38Å; E142-H351 IonicContact OE2-NE2 3.47Å
352T96.1Very high96.6Very high50 Ų5055.4 Ų55.431%0.30729%0.287SS..SBendtrans-124.1151.1169.968.40000110.6A102 L349 N350 K354 Y355 A356A102-T352 WeakPolarHBondContact CB-O 3.41Å; L349-T352 HydrophobicContact CB-CG2 4.32Å; L349-T352 WeakPolarHBondContact O-CB 3.44Å; L349-T352 WeakPolarHBondContact O-CG2 3.33Å; L349-T352 PolarHBondContact O-OG1 2.7Å; N350-T352 VanDerWaalsContact C-N 3.31Å; N350-T352 PolarHBondContact O-N 2.84Å; T352-K354 PolarHBondContact O-N 3.44Å; T352-Y355 WeakPolarHBondContact O-CA 3.31Å; T352-Y355 WeakPolarHBondContact O-CB 3.46Å; T352-Y355 PolarHBondContact O-N 3.41Å; T352-Y355 PolarHBondContact OG1-N 3.08Å; T352-A356 PolarHBondContact O-N 2.92Å; T352-A356 VanDerWaalsContact O-N 3.1Å
353E97.1Very high96.5Very high138 Ų13860.8 Ų60.865%0.64531%0.31SS*.Hα-helixtrans-53.3-40.6174.5-65.7175177.700111.9I99 Y355 A356 E357I99-E353 HydrophobicContact CB-CG 4.47Å; I99-E353 HydrophobicContact CG2-CG 3.95Å; E353-Y355 PolarHBondContact O-N 2.91Å; E353-A356 WeakPolarHBondContact O-CB 3.44Å; E353-A356 PolarHBondContact O-N 2.86Å; E353-A356 VanDerWaalsContact O-N 3.14Å; E353-E357 WeakPolarHBondContact O-CG 3.36Å; E353-E357 PolarHBondContact O-N 2.94Å
354K97.6Very high96.5Very high153 Ų15358.9 Ų58.967%0.66530%0.301SS*.Hα-helixtrans-60.5-32.4176.6-66.7-176.8-179.4178.20112.8A348 T352 A358A348-K354 HydrophobicContact CB-CB 3.88Å; T352-K354 PolarHBondContact O-N 3.44Å; K354-A358 WeakPolarHBondContact O-CB 3.36Å; K354-A358 PolarHBondContact O-N 3.44Å; K354-A358 VanDerWaalsContact O-N 3.11Å
355Y98Very high96.5Very high0 Ų059.2 Ų59.20%030%0.303CS..Hα-helixtrans-76.2-39.5176.3-159.9-87.6000111.7A102 P167 A168 I344 T346 A348 L349 N350 T352 E353 E357 A358 A359A102-Y355 WeakPolarHBondContact O-CD1 3.37Å; P167-Y355 WeakPolarHBondContact CB-OH 3.23Å; P167-Y355 PolarHBondContact O-OH 3.11Å; P167-Y355 VanDerWaalsContact O-OH 3.12Å; A168-Y355 VanDerWaalsContact CA-OH 3.28Å; A168-Y355 WeakPolarHBondContact CA-OH 3.46Å; A168-Y355 PolarHBondContact N-OH 2.91Å; I344-Y355 HydrophobicContact CD1-CD1 4.45Å; I344-Y355 HydrophobicContact CD1-CE1 3.81Å; I344-Y355 HydrophobicContact CD1-CE2 3.9Å; I344-Y355 VanDerWaalsContact CD1-CZ 3.49Å; I344-Y355 WeakPolarHBondContact CD1-OH 3.17Å; I344-Y355 HydrophobicContact CG1-CE2 4.37Å; T346-Y355 HydrophobicContact CG2-CD2 4.07Å; T346-Y355 HydrophobicContact CG2-CE2 3.97Å; A348-Y355 HydrophobicContact CB-CD2 4.03Å; A348-Y355 WeakPolarHBondContact O-CD2 3.23Å; A348-Y355 WeakPolarHBondContact O-CE2 3.47Å; L349-Y355 VanDerWaalsContact O-CB 3.24Å; L349-Y355 WeakPolarHBondContact O-CB 3.36Å; N350-Y355 WeakPolarHBondContact OD1-CE2 2.94Å; T352-Y355 WeakPolarHBondContact O-CA 3.31Å; T352-Y355 WeakPolarHBondContact O-CB 3.46Å; T352-Y355 PolarHBondContact O-N 3.41Å; T352-Y355 PolarHBondContact OG1-N 3.08Å; E353-Y355 PolarHBondContact O-N 2.91Å; Y355-E357 VanDerWaalsContact C-N 3.3Å; Y355-E357 PolarHBondContact O-N 2.91Å; Y355-A358 CarbonylContact O-C 3.56Å; Y355-A358 PolarHBondContact O-N 2.94Å; Y355-A358 VanDerWaalsContact O-N 3.12Å; Y355-A359 WeakPolarHBondContact O-CB 3.45Å; Y355-A359 PolarHBondContact O-N 3.47Å
356A97.9Very high96.6Very high10 Ų1062.8 Ų62.88%0.08332%0.318CS..Hα-helixtrans-57.6-45.4172.700000111.1W30 I99 A102 T352 E353 A358 A359 G360W30-A356 PolarHBondContact NE1-O 2.88Å; I99-A356 WeakPolarHBondContact O-CB 3.43Å; A102-A356 HydrophobicContact CB-CB 3.99Å; T352-A356 PolarHBondContact O-N 2.92Å; T352-A356 VanDerWaalsContact O-N 3.1Å; E353-A356 WeakPolarHBondContact O-CB 3.44Å; E353-A356 PolarHBondContact O-N 2.86Å; E353-A356 VanDerWaalsContact O-N 3.14Å; A356-A358 VanDerWaalsContact C-N 3.34Å; A356-A358 PolarHBondContact O-N 3.42Å; A356-A359 PolarHBondContact O-N 3.13Å; A356-G360 PolarHBondContact O-N 3.4Å
357E98Very high96.7Very high133 Ų13364.6 Ų64.662%0.62132%0.322SS*.Hα-helixtrans-58.5-44.9173.4-71.2178.4176.200112.1E353 Y355 G360 A361E353-E357 WeakPolarHBondContact O-CG 3.36Å; E353-E357 PolarHBondContact O-N 2.94Å; Y355-E357 VanDerWaalsContact C-N 3.3Å; Y355-E357 PolarHBondContact O-N 2.91Å; E357-G360 PolarHBondContact O-N 2.93Å; E357-A361 PolarHBondContact O-N 3.19Å
358A98.3Very high96.9Very high7 Ų758 Ų586%0.05829%0.287CS..Hα-helixtrans-65.7-38.9179.200000112.8I344 T346 K354 Y355 A356 G360 A361I344-A358 HydrophobicContact CD1-CB 4.08Å; T346-A358 HydrophobicContact CG2-CB 3.66Å; K354-A358 WeakPolarHBondContact O-CB 3.36Å; K354-A358 PolarHBondContact O-N 3.44Å; K354-A358 VanDerWaalsContact O-N 3.11Å; Y355-A358 CarbonylContact O-C 3.56Å; Y355-A358 PolarHBondContact O-N 2.94Å; Y355-A358 VanDerWaalsContact O-N 3.12Å; A356-A358 VanDerWaalsContact C-N 3.34Å; A356-A358 PolarHBondContact O-N 3.42Å; A358-G360 PolarHBondContact O-N 3.27Å; A358-A361 WeakPolarHBondContact O-CB 3.49Å; A358-A361 PolarHBondContact O-N 3.21Å; A358-A361 VanDerWaalsContact O-N 3.15Å
359A98Very high97.1Very high1 Ų157.6 Ų57.61%0.00828%0.283CS..Hα-helixtrans-65.5-27.5178.800000112.9N106 L107 I344 Y355 A356N106-A359 PolarHBondContact ND2-O 3.32Å; L107-A359 HydrophobicContact CD1-CB 4.24Å; I344-A359 HydrophobicContact CD1-CB 4.38Å; Y355-A359 WeakPolarHBondContact O-CB 3.45Å; Y355-A359 PolarHBondContact O-N 3.47Å; A356-A359 PolarHBondContact O-N 3.13Å
360G97.4Very high97.4Very high7 Ų755.8 Ų55.87%0.07227%0.269CS..THydrogen-bonded Turntrans-91.2-4174.300000115.2R27 W30 A356 E357 A358R27-G360 PolarHBondContact NH1-O 2.97Å; W30-G360 VanDerWaalsContact CE2-CA 3.45Å; A356-G360 PolarHBondContact O-N 3.4Å; E357-G360 PolarHBondContact O-N 2.93Å; A358-G360 PolarHBondContact O-N 3.27Å
361A97.4Very high97.6Very high28 Ų2853.7 Ų53.723%0.23126%0.257CS..SBendtrans-77.3143.8-173.900000111.9E357 A358 K363 A364E357-A361 PolarHBondContact O-N 3.19Å; A358-A361 WeakPolarHBondContact O-CB 3.49Å; A358-A361 PolarHBondContact O-N 3.21Å; A358-A361 VanDerWaalsContact O-N 3.15Å; A361-K363 HydrophobicContact CB-CG 3.96Å; A361-K363 PolarHBondContact O-N 2.83Å; A361-K363 VanDerWaalsContact O-N 3.13Å; A361-A364 VanDerWaalsContact O-CB 3.3Å; A361-A364 WeakPolarHBondContact O-CB 3.39Å; A361-A364 PolarHBondContact O-N 3.21Å
362E96.3Very high97.8Very high159 Ų15949.1 Ų49.174%0.74324%0.236SC*.THydrogen-bonded Turntrans-55.9-34.8178.3-171.6-178.7173.800112.4A364 Q365E362-A364 PolarHBondContact O-N 3.39Å; E362-Q365 WeakPolarHBondContact O-CB 3.24Å; E362-Q365 VanDerWaalsContact O-CG 3.31Å; E362-Q365 WeakPolarHBondContact O-CG 3.43Å; E362-Q365 PolarHBondContact O-N 2.88Å; E362-Q365 VanDerWaalsContact O-N 3.17Å
363K96.8Very high98Very high112 Ų11247.9 Ų47.949%0.48723%0.227SC..THydrogen-bonded Turntrans-60.4-28.5177.366.6175.5179.2174.30113.7G345 A361 Q365 Y367G345-K363 VanDerWaalsContact O-CE 3.29Å; G345-K363 WeakPolarHBondContact O-CE 3.2Å; G345-K363 PolarHBondContact O-NZ 3.28Å; A361-K363 HydrophobicContact CB-CG 3.96Å; A361-K363 PolarHBondContact O-N 2.83Å; A361-K363 VanDerWaalsContact O-N 3.13Å; K363-Q365 PolarHBondContact O-N 2.89Å; K363-Y367 WeakPolarHBondContact O-CD2 3.32Å
364A97.7Very high98.1Very high0 Ų041.3 Ų41.30%020%0.196CC..Hα-helixtrans-65.5-25.8-179.300000111.9L107 I344 A361 E362 L366 Y367 A368L107-A364 HydrophobicContact CD1-CB 4.01Å; L107-A364 HydrophobicContact CD2-CB 4.28Å; I344-A364 HydrophobicContact CB-CB 4.2Å; A361-A364 VanDerWaalsContact O-CB 3.3Å; A361-A364 WeakPolarHBondContact O-CB 3.39Å; A361-A364 PolarHBondContact O-N 3.21Å; E362-A364 PolarHBondContact O-N 3.39Å; A364-L366 VanDerWaalsContact C-N 3.33Å; A364-L366 PolarHBondContact O-N 2.92Å; A364-Y367 PolarHBondContact O-N 3.36Å; A364-A368 PolarHBondContact O-N 2.96Å
365Q98Very high98.1Very high8 Ų834 Ų344%0.03716%0.164CC..Hα-helixtrans-60-39.2-178-66.9-68.1-58.200113.3H23 E110 E362 K363 Y367 L369H23-Q365 HydrophobicContact CB-CG 4.44Å; H23-Q365 VanDerWaalsContact CB-OE1 3.23Å; H23-Q365 VanDerWaalsContact ND1-CG 3.25Å; H23-Q365 WeakPolarHBondContact ND1-CG 3.48Å; H23-Q365 PolarHBondContact ND1-NE2 2.89Å; H23-Q365 VanDerWaalsContact ND1-NE2 3.16Å; H23-Q365 PolarHBondContact ND1-OE1 3.26Å; E110-Q365 PolarHBondContact OE1-NE2 3.06Å; E110-Q365 PolarHBondContact OE1-OE1 3.37Å; E110-Q365 PolarHBondContact OE2-NE2 2.79Å; E362-Q365 WeakPolarHBondContact O-CB 3.24Å; E362-Q365 VanDerWaalsContact O-CG 3.31Å; E362-Q365 WeakPolarHBondContact O-CG 3.43Å; E362-Q365 PolarHBondContact O-N 2.88Å; E362-Q365 VanDerWaalsContact O-N 3.17Å; K363-Q365 PolarHBondContact O-N 2.89Å; Q365-Y367 PolarHBondContact O-N 3.42Å; Q365-L369 WeakPolarHBondContact O-CB 3.37Å; Q365-L369 VanDerWaalsContact O-CG 3.29Å; Q365-L369 WeakPolarHBondContact O-CG 3.01Å; Q365-L369 PolarHBondContact O-N 2.77Å
366L98Very high98.2Very high91 Ų9134 Ų3448%0.47616%0.164SC..Hα-helixtrans-55.8-43.3176.1173.162.4000110.8A364 R370A364-L366 VanDerWaalsContact C-N 3.33Å; A364-L366 PolarHBondContact O-N 2.92Å; L366-R370 WeakPolarHBondContact O-CG 3.38Å; L366-R370 PolarHBondContact O-N 3.45Å
367Y98.5Very high98.2Very high61 Ų6134.1 Ų34.124%0.23916%0.163CC..Hα-helixtrans-80.3-41-175.3-54.6-86.2000112.6H343 K363 A364 Q365 L369 R370 A371H343-Y367 AromaticContact CD2-CE1 3.57Å; H343-Y367 AromaticContact CD2-CZ 3.84Å; H343-Y367 WeakPolarHBondContact O-CB 3.48Å; H343-Y367 WeakPolarHBondContact O-CD1 3.31Å; K363-Y367 WeakPolarHBondContact O-CD2 3.32Å; A364-Y367 PolarHBondContact O-N 3.36Å; Q365-Y367 PolarHBondContact O-N 3.42Å; Y367-L369 VanDerWaalsContact C-N 3.32Å; Y367-L369 PolarHBondContact O-N 3.34Å; Y367-R370 WeakPolarHBondContact O-CB 3.5Å; Y367-R370 PolarHBondContact O-N 3.26Å; Y367-R370 VanDerWaalsContact O-N 3.12Å; Y367-A371 PolarHBondContact O-N 3.38Å
368A98.7Very high98.2Very high1 Ų127.8 Ų27.81%0.00813%0.133CC..Hα-helixtrans-56.4-46.6173.900000111.2L107 V111 F342 A364 R370 A371 A372L107-A368 HydrophobicContact CD2-CB 4.17Å; V111-A368 HydrophobicContact CG2-CB 3.99Å; V111-A368 WeakPolarHBondContact CG2-O 3.43Å; F342-A368 HydrophobicContact CE2-CB 4.19Å; A364-A368 PolarHBondContact O-N 2.96Å; A368-R370 VanDerWaalsContact C-N 3.32Å; A368-R370 PolarHBondContact O-N 3.15Å; A368-A371 PolarHBondContact O-N 3.16Å; A368-A372 PolarHBondContact O-N 3.33Å
369L98.7Very high98.3Very high5 Ų527.4 Ų27.43%0.02613%0.131CC..Hα-helixtrans-67.5-30.6177.8-63.1-179.2000113.1I15 K19 L22 Q365 Y367 K373I15-L369 HydrophobicContact CG2-CB 4.44Å; I15-L369 HydrophobicContact CG2-CD2 3.81Å; K19-L369 HydrophobicContact CB-CD1 4.03Å; K19-L369 HydrophobicContact CD-CD1 3.91Å; K19-L369 HydrophobicContact CG-CD1 3.75Å; L22-L369 HydrophobicContact CD1-CD2 3.87Å; Q365-L369 WeakPolarHBondContact O-CB 3.37Å; Q365-L369 VanDerWaalsContact O-CG 3.29Å; Q365-L369 WeakPolarHBondContact O-CG 3.01Å; Q365-L369 PolarHBondContact O-N 2.77Å; Y367-L369 VanDerWaalsContact C-N 3.32Å; Y367-L369 PolarHBondContact O-N 3.34Å; L369-K373 WeakPolarHBondContact O-CB 3.29Å; L369-K373 WeakPolarHBondContact O-CD 3.37Å; L369-K373 WeakPolarHBondContact O-CG 3.36Å; L369-K373 PolarHBondContact O-N 3.49Å
370R98.7Very high98.3Very high67 Ų6727.4 Ų27.425%0.25313%0.13SC..Hα-helixtrans-65.3-46.3171.1-78.9173.6166.7165-1111.2L311 M313 L366 Y367 A368 K373 A374L311-R370 HydrophobicContact CB-CG 4.36Å; L311-R370 WeakPolarHBondContact CD1-O 3.47Å; L311-R370 PolarHBondContact O-NE 3.29Å; M313-R370 HydrophobicContact CG-CB 4.23Å; M313-R370 HydrophobicContact SD-CB 4.34Å; L366-R370 WeakPolarHBondContact O-CG 3.38Å; L366-R370 PolarHBondContact O-N 3.45Å; Y367-R370 WeakPolarHBondContact O-CB 3.5Å; Y367-R370 PolarHBondContact O-N 3.26Å; Y367-R370 VanDerWaalsContact O-N 3.12Å; A368-R370 VanDerWaalsContact C-N 3.32Å; A368-R370 PolarHBondContact O-N 3.15Å; R370-K373 PolarHBondContact O-N 2.82Å; R370-A374 WeakPolarHBondContact O-CB 3.34Å; R370-A374 PolarHBondContact O-N 3.14Å
371A98.8Very high98.3Very high0 Ų027.3 Ų27.30%013%0.128CC..Hα-helixtrans-61.2-45.5177.500000111.7V111 F342 Y367 A368 K373 A374 L375V111-A371 HydrophobicContact CG1-CB 4.46Å; V111-A371 HydrophobicContact CG2-CB 4.33Å; F342-A371 HydrophobicContact CB-CB 3.75Å; F342-A371 HydrophobicContact CD1-CB 3.65Å; F342-A371 HydrophobicContact CD2-CB 3.95Å; F342-A371 HydrophobicContact CE1-CB 4.19Å; F342-A371 HydrophobicContact CE2-CB 4.46Å; F342-A371 HydrophobicContact CG-CB 3.51Å; Y367-A371 PolarHBondContact O-N 3.38Å; A368-A371 PolarHBondContact O-N 3.16Å; A371-K373 PolarHBondContact O-N 3.49Å; A371-A374 PolarHBondContact O-N 2.95Å; A371-L375 PolarHBondContact O-N 2.92Å
372A98.9Very high98.3Very high0 Ų026 Ų260%012%0.117CC..Hα-helixtrans-59.9-44.917600000112.6I15 V111 A114 A115 A368 A376I15-A372 HydrophobicContact CD1-CB 4.38Å; V111-A372 HydrophobicContact CG1-CB 4.24Å; A114-A372 HydrophobicContact CB-CB 3.58Å; A115-A372 HydrophobicContact CB-CB 4.44Å; A368-A372 PolarHBondContact O-N 3.33Å; A372-A376 WeakPolarHBondContact O-CB 3.36Å; A372-A376 PolarHBondContact O-N 3.31Å
373K98.9Very high98.2Very high25 Ų2519.6 Ų19.611%0.1099%0.088CC..Hα-helixtrans-61.2-46.6174.7-73.4166.7-175.9175.30110.7L11 Q12 I15 E16 L311 L369 R370 A371 A376 M377L11-K373 HydrophobicContact CD2-CG 4.48Å; Q12-K373 HydrophobicContact CB-CD 4.49Å; Q12-K373 HydrophobicContact CG-CB 4.44Å; Q12-K373 HydrophobicContact CG-CD 4.1Å; Q12-K373 HydrophobicContact CG-CG 4.1Å; I15-K373 HydrophobicContact CB-CG 4.27Å; I15-K373 HydrophobicContact CD1-CB 4.45Å; I15-K373 HydrophobicContact CD1-CG 3.73Å; I15-K373 HydrophobicContact CG2-CG 4.13Å; E16-K373 IonicContact OE2-NZ 2.69Å; E16-K373 PolarHBondContact OE2-NZ 3.1Å; L311-K373 HydrophobicContact CD1-CB 3.55Å; L311-K373 HydrophobicContact CD2-CB 4.38Å; L311-K373 HydrophobicContact CD2-CD 4.35Å; L369-K373 WeakPolarHBondContact O-CB 3.29Å; L369-K373 WeakPolarHBondContact O-CD 3.37Å; L369-K373 WeakPolarHBondContact O-CG 3.36Å; L369-K373 PolarHBondContact O-N 3.49Å; R370-K373 PolarHBondContact O-N 2.82Å; A371-K373 PolarHBondContact O-N 3.49Å; K373-A376 PolarHBondContact O-N 3.23Å; K373-M377 HydrophobicContact CB-SD 4.48Å; K373-M377 VanDerWaalsContact O-CB 3.24Å; K373-M377 WeakPolarHBondContact O-CB 3.42Å; K373-M377 WeakPolarHBondContact O-CG 3.49Å; K373-M377 PolarHBondContact O-N 3.12Å
374A98.9Very high98Very high0 Ų016.5 Ų16.50%08%0.08CC..Hα-helixtrans-63-43.8179.800000112.9Y304 N307 L311 M313 R370 A371 T378Y304-A374 HydrophobicContact CD2-CB 3.86Å; Y304-A374 HydrophobicContact CE2-CB 3.55Å; N307-A374 HydrophobicContact CB-CB 4.4Å; L311-A374 HydrophobicContact CD1-CB 4.03Å; M313-A374 HydrophobicContact SD-CB 4.18Å; R370-A374 WeakPolarHBondContact O-CB 3.34Å; R370-A374 PolarHBondContact O-N 3.14Å; A371-A374 PolarHBondContact O-N 2.95Å; A374-T378 WeakPolarHBondContact O-CB 3.44Å; A374-T378 PolarHBondContact O-N 3.48Å; A374-T378 PolarHBondContact O-OG1 3.48Å
375L98.7Very high97.8Very high0 Ų018.4 Ų18.40%09%0.093CC..Hα-helixtrans-58.3-51.2174.5-79-179000111.2V111 A115 F163 A165 Y304 I338 P340 A371 T378 A379V111-L375 HydrophobicContact CG1-CD1 3.63Å; A115-L375 HydrophobicContact CB-CB 4.27Å; F163-L375 HydrophobicContact CB-CD2 4.36Å; F163-L375 HydrophobicContact CD1-CD2 4.14Å; A165-L375 HydrophobicContact CB-CD1 3.73Å; A165-L375 HydrophobicContact CB-CD2 4.31Å; A165-L375 HydrophobicContact CB-CG 4.17Å; Y304-L375 HydrophobicContact CD2-CD2 3.92Å; Y304-L375 HydrophobicContact CD2-CG 4.35Å; Y304-L375 HydrophobicContact CE2-CD2 3.86Å; Y304-L375 HydrophobicContact CE2-CG 3.93Å; I338-L375 HydrophobicContact CG2-CD2 4.12Å; P340-L375 HydrophobicContact CG-CD2 3.98Å; A371-L375 PolarHBondContact O-N 2.92Å; L375-T378 VanDerWaalsContact O-CB 3.27Å; L375-T378 WeakPolarHBondContact O-CB 3.19Å; L375-T378 PolarHBondContact O-N 3.26Å; L375-T378 VanDerWaalsContact O-N 3.12Å; L375-A379 PolarHBondContact O-N 2.97Å
376A98.8Very high97.5Very high0 Ų022.9 Ų22.90%012%0.123CC..Hα-helixtrans-75.3-30.9-173.500000112.3L11 A115 L119 A372 K373 T378 A379 V380L11-A376 HydrophobicContact CD1-CB 3.34Å; L11-A376 HydrophobicContact CD2-CB 4.11Å; L11-A376 HydrophobicContact CG-CB 4.15Å; A115-A376 HydrophobicContact CB-CB 3.98Å; A115-A376 WeakPolarHBondContact O-CB 3.1Å; L119-A376 HydrophobicContact CB-CB 4.45Å; A372-A376 WeakPolarHBondContact O-CB 3.36Å; A372-A376 PolarHBondContact O-N 3.31Å; K373-A376 PolarHBondContact O-N 3.23Å; A376-T378 VanDerWaalsContact C-N 3.27Å; A376-T378 PolarHBondContact O-N 2.81Å; A376-A379 PolarHBondContact O-N 3.18Å; A376-V380 WeakPolarHBondContact O-CG2 3.27Å; A376-V380 PolarHBondContact O-N 3.31Å
377M98.8Very high97.5Very high11 Ų1123.8 Ų23.85%0.05413%0.128CC..Hα-helixtrans-62-35.4167.4-73.7167.16900111.9K8 L11 Q12 N307 L311 K373 V380 D381K8-M377 HydrophobicContact CB-CG 4.21Å; K8-M377 HydrophobicContact CD-CB 4.16Å; K8-M377 HydrophobicContact CD-CE 3.82Å; K8-M377 HydrophobicContact CD-CG 4.05Å; K8-M377 WeakPolarHBondContact CE-O 3.42Å; K8-M377 HydrophobicContact CG-CB 4.27Å; K8-M377 HydrophobicContact CG-CG 3.9Å; L11-M377 HydrophobicContact CD2-CG 4.21Å; Q12-M377 HydrophobicContact CG-SD 4.33Å; N307-M377 HydrophobicContact CB-CB 4.07Å; N307-M377 HydrophobicContact CB-CE 4.17Å; L311-M377 HydrophobicContact CD1-SD 3.85Å; L311-M377 HydrophobicContact CD2-SD 4.35Å; L311-M377 HydrophobicContact CG-SD 4.28Å; K373-M377 HydrophobicContact CB-SD 4.48Å; K373-M377 VanDerWaalsContact O-CB 3.24Å; K373-M377 WeakPolarHBondContact O-CB 3.42Å; K373-M377 WeakPolarHBondContact O-CG 3.49Å; K373-M377 PolarHBondContact O-N 3.12Å; M377-V380 WeakPolarHBondContact O-CB 3.23Å; M377-V380 PolarHBondContact O-N 2.73Å; M377-D381 PolarHBondContact O-N 2.73Å
378T98.8Very high97.4Very high0 Ų022 Ų220%012%0.123CC..Hα-helixtrans-66.7-42.8175.5-58.60000111.1F163 L300 L303 Y304 N307 A374 L375 A376 V380 D381 V382F163-T378 HydrophobicContact CE1-CG2 3.92Å; L300-T378 HydrophobicContact CD2-CG2 3.96Å; L303-T378 HydrophobicContact CB-CG2 3.65Å; L303-T378 HydrophobicContact CD1-CG2 4.33Å; Y304-T378 VanDerWaalsContact CA-OG1 3.27Å; Y304-T378 WeakPolarHBondContact CA-OG1 3.33Å; Y304-T378 PolarHBondContact N-OG1 2.89Å; N307-T378 WeakPolarHBondContact ND2-CA 3.44Å; N307-T378 PolarHBondContact ND2-N 3.11Å; N307-T378 PolarHBondContact ND2-OG1 3.28Å; A374-T378 WeakPolarHBondContact O-CB 3.44Å; A374-T378 PolarHBondContact O-N 3.48Å; A374-T378 PolarHBondContact O-OG1 3.48Å; L375-T378 VanDerWaalsContact O-CB 3.27Å; L375-T378 WeakPolarHBondContact O-CB 3.19Å; L375-T378 PolarHBondContact O-N 3.26Å; L375-T378 VanDerWaalsContact O-N 3.12Å; A376-T378 VanDerWaalsContact C-N 3.27Å; A376-T378 PolarHBondContact O-N 2.81Å; T378-V380 VanDerWaalsContact C-N 3.34Å; T378-V380 PolarHBondContact O-N 2.82Å; T378-D381 WeakPolarHBondContact O-CB 3.47Å; T378-D381 PolarHBondContact O-N 3.49Å; T378-V382 PolarHBondContact O-N 2.89Å
379A98.5Very high97.3Very high0 Ų023.2 Ų23.20%013%0.129CC..Hα-helixtrans-59.4-43.3171.500000111.9V87 F89 L119 F163 L375 A376 D381 V382 L383V87-A379 HydrophobicContact CG1-CB 4.11Å; F89-A379 HydrophobicContact CZ-CB 4.42Å; L119-A379 HydrophobicContact CD1-CB 4.02Å; L119-A379 HydrophobicContact CD2-CB 3.96Å; F163-A379 HydrophobicContact CE1-CB 4.5Å; F163-A379 HydrophobicContact CE2-CB 4.05Å; F163-A379 HydrophobicContact CZ-CB 3.98Å; L375-A379 PolarHBondContact O-N 2.97Å; A376-A379 PolarHBondContact O-N 3.18Å; A379-D381 VanDerWaalsContact C-N 3.34Å; A379-D381 PolarHBondContact O-N 2.93Å; A379-V382 PolarHBondContact O-N 3.27Å; A379-L383 WeakPolarHBondContact O-CB 3.36Å; A379-L383 VanDerWaalsContact O-CG 3.25Å; A379-L383 WeakPolarHBondContact O-CG 3.35Å; A379-L383 PolarHBondContact O-N 2.63Å
380V98.3Very high97.3Very high0 Ų027.3 Ų27.30%015%0.148CC..Hα-helixtrans-59.2-42.1174.6169.70000111.9R4 M7 K8 L11 L119 A122 A376 M377 T378 V382 L383 C384R4-V380 HydrophobicContact CG-CG1 4.1Å; M7-V380 HydrophobicContact CB-CG1 3.72Å; M7-V380 HydrophobicContact CB-CG2 4.39Å; M7-V380 HydrophobicContact CE-CG1 4.34Å; M7-V380 HydrophobicContact CE-CG2 4.34Å; M7-V380 HydrophobicContact SD-CG1 4.2Å; K8-V380 HydrophobicContact CG-CB 4.37Å; K8-V380 HydrophobicContact CG-CG1 3.96Å; L11-V380 HydrophobicContact CD1-CG2 4.13Å; L119-V380 HydrophobicContact CD1-CG2 3.71Å; A122-V380 HydrophobicContact CB-CG2 3.81Å; A376-V380 WeakPolarHBondContact O-CG2 3.27Å; A376-V380 PolarHBondContact O-N 3.31Å; M377-V380 WeakPolarHBondContact O-CB 3.23Å; M377-V380 PolarHBondContact O-N 2.73Å; T378-V380 VanDerWaalsContact C-N 3.34Å; T378-V380 PolarHBondContact O-N 2.82Å; V380-V382 VanDerWaalsContact C-N 3.34Å; V380-V382 PolarHBondContact O-N 3.37Å; V380-L383 PolarHBondContact O-N 3.18Å; V380-C384 WeakPolarHBondContact O-CB 3.45Å; V380-C384 PolarHBondContact O-N 2.94Å; V380-C384 PolarHBondContact O-SG 3.21Å; V380-C384 VanDerWaalsContact O-SG 3.33Å
381D97.9Very high97.3Very high5 Ų530.9 Ų30.93%0.02716%0.161CC..Hα-helixtrans-59.3-45.2177.7-74.2-43.3000112.1R4 K8 L303 N307 M377 T378 A379 C385 L388R4-D381 VanDerWaalsContact CD-OD1 3.27Å; R4-D381 WeakPolarHBondContact CD-OD1 3.48Å; R4-D381 IonicContact CZ-OD1 3.18Å; R4-D381 IonicContact NE-OD1 2.79Å; R4-D381 IonicContact NH1-OD1 3.38Å; R4-D381 PolarHBondContact NH1-OD1 3.42Å; K8-D381 WeakPolarHBondContact CE-OD1 3.5Å; K8-D381 WeakPolarHBondContact CE-OD2 3.31Å; K8-D381 IonicContact NZ-OD1 2.78Å; K8-D381 PolarHBondContact NZ-OD1 2.74Å; K8-D381 IonicContact NZ-OD2 2.7Å; K8-D381 PolarHBondContact NZ-OD2 2.81Å; L303-D381 HydrophobicContact CD1-CB 4.16Å; L303-D381 HydrophobicContact CD2-CB 4.08Å; N307-D381 PolarHBondContact ND2-OD2 2.66Å; N307-D381 PolarHBondContact OD1-OD2 3.05Å; M377-D381 PolarHBondContact O-N 2.73Å; T378-D381 WeakPolarHBondContact O-CB 3.47Å; T378-D381 PolarHBondContact O-N 3.49Å; A379-D381 VanDerWaalsContact C-N 3.34Å; A379-D381 PolarHBondContact O-N 2.93Å; D381-C385 WeakPolarHBondContact O-CB 3.49Å; D381-C385 PolarHBondContact O-N 2.76Å; D381-L388 HydrophobicContact CB-CD1 4.25Å
382V96.9Very high97.3Very high1 Ų130.9 Ų30.91%0.00616%0.161CC..Hα-helixtrans-67.6-43.2178.8177.90000111.3L161 L300 L303 T378 A379 V380 C384 C385 L389 V392L161-V382 HydrophobicContact CD1-CB 4.38Å; L161-V382 HydrophobicContact CD1-CG1 3.63Å; L300-V382 HydrophobicContact CD2-CG2 3.77Å; L303-V382 HydrophobicContact CD1-CG2 3.92Å; T378-V382 PolarHBondContact O-N 2.89Å; A379-V382 PolarHBondContact O-N 3.27Å; V380-V382 VanDerWaalsContact C-N 3.34Å; V380-V382 PolarHBondContact O-N 3.37Å; V382-C384 VanDerWaalsContact C-N 3.33Å; V382-C384 PolarHBondContact O-N 3.47Å; V382-C385 PolarHBondContact O-N 3.29Å; V382-L389 HydrophobicContact CG1-CB 3.82Å; V382-L389 HydrophobicContact CG1-CD1 3.77Å; V382-L389 HydrophobicContact CG1-CG 4.39Å; V382-V392 HydrophobicContact CG2-CG2 4.12Å
383L94.1Very high97.2Very high25 Ų2535.4 Ų35.413%0.13118%0.178CC..Hα-helixtrans-62.8-37.8178.7-74.5173.6000112.9L85 V87 L119 V123 V131 A379 V380 C385L85-L383 HydrophobicContact CB-CD2 4.48Å; L85-L383 HydrophobicContact CD2-CD2 3.55Å; V87-L383 HydrophobicContact CG2-CD2 4.23Å; L119-L383 HydrophobicContact CD1-CD1 3.84Å; L119-L383 HydrophobicContact CD2-CD1 4.44Å; V123-L383 HydrophobicContact CG2-CD1 4.32Å; V131-L383 HydrophobicContact CG1-CD1 4.31Å; V131-L383 HydrophobicContact CG1-CD2 4.38Å; V131-L383 HydrophobicContact CG2-CD1 4.17Å; V131-L383 HydrophobicContact CG2-CD2 3.62Å; A379-L383 WeakPolarHBondContact O-CB 3.36Å; A379-L383 VanDerWaalsContact O-CG 3.25Å; A379-L383 WeakPolarHBondContact O-CG 3.35Å; A379-L383 PolarHBondContact O-N 2.63Å; V380-L383 PolarHBondContact O-N 3.18Å; L383-C385 VanDerWaalsContact C-N 3.33Å
384C93.1Very high97.2Very high47 Ų4736.8 Ų36.832%0.31819%0.187SC..THydrogen-bonded Turntrans-82.3-8.3-178.4-690000114R4 M7 V380 V382R4-C384 HydrophobicContact CB-CB 4.32Å; R4-C384 HydrophobicContact CG-CB 4.25Å; M7-C384 PolarHBondContact SD-SG 3.47Å; V380-C384 WeakPolarHBondContact O-CB 3.45Å; V380-C384 PolarHBondContact O-N 2.94Å; V380-C384 PolarHBondContact O-SG 3.21Å; V380-C384 VanDerWaalsContact O-SG 3.33Å; V382-C384 VanDerWaalsContact C-N 3.33Å; V382-C384 PolarHBondContact O-N 3.47Å
385C93.5Very high97.2Very high40 Ų4038.3 Ų38.327%0.2720%0.195SC..  trans-137.899.7-172.8-168.70000111.5D381 V382 L383 D387 L388 L389D381-C385 WeakPolarHBondContact O-CB 3.49Å; D381-C385 PolarHBondContact O-N 2.76Å; V382-C385 PolarHBondContact O-N 3.29Å; L383-C385 VanDerWaalsContact C-N 3.33Å; C385-D387 PolarHBondContact O-N 3.34Å; C385-D387 VanDerWaalsContact O-N 3.17Å; C385-L388 HydrophobicContact CB-CB 4.05Å; C385-L388 HydrophobicContact CB-CD1 3.8Å; C385-L388 HydrophobicContact CB-CG 3.88Å; C385-L388 WeakPolarHBondContact O-CB 3.45Å; C385-L388 PolarHBondContact O-N 3.14Å; C385-L389 PolarHBondContact O-N 3.1Å; C385-L389 VanDerWaalsContact O-N 3.16Å
386P92.4Very high97.2Very high101 Ų10140.5 Ų40.566%0.65621%0.205SC*.Hα-helixtrans-54.2-35.4178.7-28.436000114L388 L389 Q390P386-L388 VanDerWaalsContact C-N 3.34Å; P386-L388 PolarHBondContact O-N 2.83Å; P386-L389 PolarHBondContact O-N 3.38Å; P386-Q390 PolarHBondContact O-N 3.35Å
387D96.9Very high97.1Very high110 Ų11046.9 Ų46.959%0.58823%0.229SC*.Hα-helixtrans-64.9-36.7177.1-65.8-10.4000112.2C385 Q390 R391C385-D387 PolarHBondContact O-N 3.34Å; C385-D387 VanDerWaalsContact O-N 3.17Å; D387-Q390 PolarHBondContact O-N 2.9Å; D387-R391 WeakPolarHBondContact O-CG 3.48Å; D387-R391 PolarHBondContact O-N 2.86Å
388L97.4Very high97Very high25 Ų2550 Ų5013%0.13125%0.245CC..Hα-helixtrans-68.2-43.2174.6-70.1178.5000110.6T299 L303 D381 C385 P386 Q390 R391 V392T299-L388 HydrophobicContact CG2-CD2 4.19Å; L303-L388 HydrophobicContact CD1-CD1 4.14Å; L303-L388 HydrophobicContact CD2-CD1 4.12Å; D381-L388 HydrophobicContact CB-CD1 4.25Å; C385-L388 HydrophobicContact CB-CB 4.05Å; C385-L388 HydrophobicContact CB-CD1 3.8Å; C385-L388 HydrophobicContact CB-CG 3.88Å; C385-L388 WeakPolarHBondContact O-CB 3.45Å; C385-L388 PolarHBondContact O-N 3.14Å; P386-L388 VanDerWaalsContact C-N 3.34Å; P386-L388 PolarHBondContact O-N 2.83Å; L388-Q390 VanDerWaalsContact C-N 3.27Å; L388-Q390 PolarHBondContact O-N 3.47Å; L388-R391 PolarHBondContact O-N 3.37Å; L388-V392 VanDerWaalsContact O-CG2 3.31Å; L388-V392 WeakPolarHBondContact O-CG2 3.24Å; L388-V392 PolarHBondContact O-N 3.21Å
389L96.8Very high96.8Very high26 Ų2650.3 Ų50.314%0.13625%0.248CC..Hα-helixtrans-58.5-40.4174.8177.860.8000112L85 L161 V382 C385 P386 V392 R393L85-L389 HydrophobicContact CD1-CD1 4.43Å; L85-L389 HydrophobicContact CD1-CD2 4.1Å; L85-L389 HydrophobicContact CD2-CD1 4.31Å; L85-L389 HydrophobicContact CD2-CD2 4.19Å; L161-L389 HydrophobicContact CD1-CD1 4.11Å; L161-L389 HydrophobicContact CD2-CD1 4.14Å; L161-L389 HydrophobicContact CG-CD1 4.39Å; V382-L389 HydrophobicContact CG1-CB 3.82Å; V382-L389 HydrophobicContact CG1-CD1 3.77Å; V382-L389 HydrophobicContact CG1-CG 4.39Å; C385-L389 PolarHBondContact O-N 3.1Å; C385-L389 VanDerWaalsContact O-N 3.16Å; P386-L389 PolarHBondContact O-N 3.38Å; L389-V392 PolarHBondContact O-N 2.97Å; L389-R393 WeakPolarHBondContact O-CG 3.3Å; L389-R393 PolarHBondContact O-N 3.26Å; L389-R393 VanDerWaalsContact O-N 3.13Å
390Q98.1Very high96.5Very high90 Ų9051.8 Ų51.842%0.42126%0.257SS..Hα-helixtrans-65.3-44176.7-172.755.747.200111.6P386 D387 L388 V392 R393 D394P386-Q390 PolarHBondContact O-N 3.35Å; D387-Q390 PolarHBondContact O-N 2.9Å; L388-Q390 VanDerWaalsContact C-N 3.27Å; L388-Q390 PolarHBondContact O-N 3.47Å; Q390-V392 VanDerWaalsContact C-N 3.34Å; Q390-V392 PolarHBondContact O-N 3.47Å; Q390-R393 WeakPolarHBondContact O-CB 3.35Å; Q390-R393 PolarHBondContact O-N 2.79Å; Q390-R393 VanDerWaalsContact O-N 3.14Å; Q390-D394 PolarHBondContact NE2-OD1 2.81Å; Q390-D394 VanDerWaalsContact O-CG 3.26Å; Q390-D394 PolarHBondContact O-N 2.91Å
391R98.5Very high96.3Very high143 Ų14355.2 Ų55.254%0.5428%0.275SS..Hα-helixtrans-61.5-41.1175.6-69177.5-155.7-169.74.2112.6T299 D387 L388 R393 D394 D395T299-R391 HydrophobicContact CG2-CB 4.16Å; D387-R391 WeakPolarHBondContact O-CG 3.48Å; D387-R391 PolarHBondContact O-N 2.86Å; L388-R391 PolarHBondContact O-N 3.37Å; R391-R393 VanDerWaalsContact C-N 3.26Å; R391-R393 PolarHBondContact O-N 3.3Å; R391-D394 PolarHBondContact O-N 2.7Å; R391-D394 VanDerWaalsContact O-N 3.14Å; R391-D395 WeakPolarHBondContact O-CB 3.28Å; R391-D395 VanDerWaalsContact O-CG 3.27Å; R391-D395 PolarHBondContact O-N 3.44Å
392V98.6Very high95.8Very high0 Ų062.2 Ų62.20%030%0.301CS..Hα-helixtrans-57.9-41.3174.8170.30000111.1L161 N297 T299 L300 P336 V382 L388 L389 Q390 F396L161-V392 HydrophobicContact CD2-CG1 3.59Å; N297-V392 PolarHBondContact ND2-O 3.39Å; T299-V392 HydrophobicContact CG2-CG2 3.69Å; L300-V392 HydrophobicContact CD1-CG1 3.97Å; L300-V392 HydrophobicContact CD2-CG1 4.31Å; L300-V392 HydrophobicContact CD2-CG2 3.75Å; L300-V392 HydrophobicContact CG-CG1 4.01Å; L300-V392 HydrophobicContact CG-CG2 3.82Å; P336-V392 HydrophobicContact CB-CG1 4.06Å; V382-V392 HydrophobicContact CG2-CG2 4.12Å; L388-V392 VanDerWaalsContact O-CG2 3.31Å; L388-V392 WeakPolarHBondContact O-CG2 3.24Å; L388-V392 PolarHBondContact O-N 3.21Å; L389-V392 PolarHBondContact O-N 2.97Å; Q390-V392 VanDerWaalsContact C-N 3.34Å; Q390-V392 PolarHBondContact O-N 3.47Å; V392-F396 PolarHBondContact O-N 3.29Å
393R98.4Very high95.3Very high94 Ų9463 Ų6336%0.35531%0.305SS..Hα-helixtrans-69.5-38.1175.8-71.3171.9171.5167.5-2.2112.6L389 Q390 R391 R397L389-R393 WeakPolarHBondContact O-CG 3.3Å; L389-R393 PolarHBondContact O-N 3.26Å; L389-R393 VanDerWaalsContact O-N 3.13Å; Q390-R393 WeakPolarHBondContact O-CB 3.35Å; Q390-R393 PolarHBondContact O-N 2.79Å; Q390-R393 VanDerWaalsContact O-N 3.14Å; R391-R393 VanDerWaalsContact C-N 3.26Å; R391-R393 PolarHBondContact O-N 3.3Å; R393-R397 WeakPolarHBondContact O-CB 3.44Å; R393-R397 PolarHBondContact O-N 3.19Å
394D98.4Very high94.5Very high55 Ų5569 Ų6929%0.29433%0.332SS..Hα-helixtrans-67.6-42.7177.8-67.7-26.5000111.4Q390 R391 F396 R397 L398Q390-D394 PolarHBondContact NE2-OD1 2.81Å; Q390-D394 VanDerWaalsContact O-CG 3.26Å; Q390-D394 PolarHBondContact O-N 2.91Å; R391-D394 PolarHBondContact O-N 2.7Å; R391-D394 VanDerWaalsContact O-N 3.14Å; D394-F396 PolarHBondContact O-N 3.03Å; D394-R397 PolarHBondContact O-N 3.41Å; D394-L398 WeakPolarHBondContact O-CB 3.42Å; D394-L398 VanDerWaalsContact O-CG 3.26Å; D394-L398 WeakPolarHBondContact O-CG 3.38Å; D394-L398 PolarHBondContact O-N 3.14Å
395D98.3Very high93.1Very high32 Ų3273.2 Ų73.217%0.17136%0.357CS..Hα-helixtrans-57.6-48.5174.5-72.7-8.6000110.7E298 T299 R391 L398 A399E298-D395 PolarHBondContact N-OD2 2.86Å; T299-D395 WeakPolarHBondContact CB-OD2 3.41Å; T299-D395 PolarHBondContact N-OD2 2.95Å; T299-D395 PolarHBondContact OG1-OD2 2.9Å; R391-D395 WeakPolarHBondContact O-CB 3.28Å; R391-D395 VanDerWaalsContact O-CG 3.27Å; R391-D395 PolarHBondContact O-N 3.44Å; D395-L398 PolarHBondContact O-N 2.79Å; D395-A399 WeakPolarHBondContact O-CB 3.45Å; D395-A399 PolarHBondContact O-N 3.29Å
396F98.1Very high93.1Very high46 Ų4674.9 Ų74.920%0.20236%0.361CS..Hα-helixtrans-59.3-50.8176.1171.2-103.5000111.8S332 F333 P336 V392 D394 L398 A399 T400S332-F396 WeakPolarHBondContact O-CE2 3.4Å; F333-F396 WeakPolarHBondContact O-CZ 2.94Å; P336-F396 HydrophobicContact CB-CB 3.73Å; P336-F396 HydrophobicContact CB-CD1 4.45Å; P336-F396 HydrophobicContact CB-CD2 4.06Å; P336-F396 HydrophobicContact CB-CG 3.84Å; V392-F396 PolarHBondContact O-N 3.29Å; D394-F396 PolarHBondContact O-N 3.03Å; F396-L398 VanDerWaalsContact C-N 3.3Å; F396-L398 PolarHBondContact O-N 3.08Å; F396-A399 PolarHBondContact O-N 3.39Å; F396-T400 PolarHBondContact O-N 2.9Å; F396-T400 PolarHBondContact O-OG1 3Å
397R97.3Very high93.1Very high134 Ų13473.5 Ų73.551%0.50635%0.345SS..Hα-helixtrans-57.6-42.8178-174.3-176.568.186.22.4112R393 D394 L401R393-R397 WeakPolarHBondContact O-CB 3.44Å; R393-R397 PolarHBondContact O-N 3.19Å; D394-R397 PolarHBondContact O-N 3.41Å; R397-L401 HydrophobicContact CG-CD1 4.22Å; R397-L401 WeakPolarHBondContact O-CB 3.48Å; R397-L401 VanDerWaalsContact O-CG 3.25Å; R397-L401 WeakPolarHBondContact O-CG 3.39Å; R397-L401 PolarHBondContact O-N 3.49Å; R397-L401 VanDerWaalsContact O-N 3.08Å
398L96.5Very high92.9Very high75 Ų7571.5 Ų71.539%0.39333%0.332SS..Hα-helixtrans-68.4-40.1178.8-72.6171.7000112D394 D395 F396 L401 R402D394-L398 WeakPolarHBondContact O-CB 3.42Å; D394-L398 VanDerWaalsContact O-CG 3.26Å; D394-L398 WeakPolarHBondContact O-CG 3.38Å; D394-L398 PolarHBondContact O-N 3.14Å; D395-L398 PolarHBondContact O-N 2.79Å; F396-L398 VanDerWaalsContact C-N 3.3Å; F396-L398 PolarHBondContact O-N 3.08Å; L398-L401 PolarHBondContact O-N 2.91Å; L398-R402 VanDerWaalsContact O-CG 3.3Å; L398-R402 WeakPolarHBondContact O-CG 3.27Å; L398-R402 PolarHBondContact O-N 3.21Å; L398-R402 VanDerWaalsContact O-N 3.11Å
399A94.8Very high92.6Very high8 Ų874.2 Ų74.27%0.06634%0.344CS..Hα-helixtrans-64.2-44.5176.800000111.5L295 D395 F396 R402 E403L295-A399 HydrophobicContact CB-CB 4Å; L295-A399 HydrophobicContact CD1-CB 4.4Å; D395-A399 WeakPolarHBondContact O-CB 3.45Å; D395-A399 PolarHBondContact O-N 3.29Å; F396-A399 PolarHBondContact O-N 3.39Å; A399-R402 PolarHBondContact O-N 3.11Å; A399-E403 PolarHBondContact O-N 3.26Å
400T93.3Very high92.3Very high31 Ų3177.3 Ų77.319%0.1936%0.357CS..Hα-helixtrans-61.8-44.9175.8-50.30000111.6F396 R402 E403 E404F396-T400 PolarHBondContact O-N 2.9Å; F396-T400 PolarHBondContact O-OG1 3Å; T400-R402 VanDerWaalsContact C-N 3.27Å; T400-R402 PolarHBondContact O-N 3.16Å; T400-E403 PolarHBondContact O-N 3.11Å; T400-E403 VanDerWaalsContact O-N 3.1Å; T400-E404 PolarHBondContact O-N 3.21Å
401L92.3Very high92Very high72 Ų7276.4 Ų76.438%0.37735%0.353SS..Hα-helixtrans-60.8-35.2177.6-75.6169.2000112.7R397 L398 E403 E404 T405R397-L401 HydrophobicContact CG-CD1 4.22Å; R397-L401 WeakPolarHBondContact O-CB 3.48Å; R397-L401 VanDerWaalsContact O-CG 3.25Å; R397-L401 WeakPolarHBondContact O-CG 3.39Å; R397-L401 PolarHBondContact O-N 3.49Å; R397-L401 VanDerWaalsContact O-N 3.08Å; L398-L401 PolarHBondContact O-N 2.91Å; L401-E403 VanDerWaalsContact C-N 3.25Å; L401-E403 PolarHBondContact O-N 2.61Å; L401-E404 PolarHBondContact O-N 2.85Å; L401-T405 WeakPolarHBondContact O-CG2 3.42Å; L401-T405 PolarHBondContact O-N 3.28Å; L401-T405 PolarHBondContact O-OG1 2.97Å
402R89Confident91.5Very high151 Ų15171.6 Ų71.657%0.5734%0.339SS*.Hα-helixtrans-68.9-21.1177.7-74.8172.3-177.71763.5113.6L398 A399 T400L398-R402 VanDerWaalsContact O-CG 3.3Å; L398-R402 WeakPolarHBondContact O-CG 3.27Å; L398-R402 PolarHBondContact O-N 3.21Å; L398-R402 VanDerWaalsContact O-N 3.11Å; A399-R402 PolarHBondContact O-N 3.11Å; T400-R402 VanDerWaalsContact C-N 3.27Å; T400-R402 PolarHBondContact O-N 3.16Å
403E86.3Confident91Very high19 Ų1977.2 Ų77.29%0.08937%0.365CS..Hα-helixtrans-80.4-30.1173.3-75.1-67.9145.900112.1R256 L257 S258 N293 L295 F333 A399 T400 L401 T405R256-E403 WeakPolarHBondContact CB-OE2 3.42Å; R256-E403 WeakPolarHBondContact CG-OE1 3.18Å; L257-E403 PolarHBondContact N-OE2 3Å; L257-E403 VanDerWaalsContact N-OE2 3.11Å; S258-E403 WeakPolarHBondContact CB-O 3.48Å; S258-E403 PolarHBondContact OG-O 3.28Å; N293-E403 PolarHBondContact ND2-OE1 3.08Å; L295-E403 HydrophobicContact CD2-CG 3.64Å; F333-E403 HydrophobicContact CE1-CB 4.02Å; F333-E403 HydrophobicContact CE1-CG 3.75Å; F333-E403 HydrophobicContact CZ-CB 4.48Å; F333-E403 HydrophobicContact CZ-CG 3.78Å; A399-E403 PolarHBondContact O-N 3.26Å; T400-E403 PolarHBondContact O-N 3.11Å; T400-E403 VanDerWaalsContact O-N 3.1Å; L401-E403 VanDerWaalsContact C-N 3.25Å; L401-E403 PolarHBondContact O-N 2.61Å; E403-T405 VanDerWaalsContact C-N 3.35Å
404E76Confident90.3Very high149 Ų14975.8 Ų75.870%0.69637%0.366SS*.Hα-helixtrans-77.7-19.4179-64.7179.117000113.5T400 L401T400-E404 PolarHBondContact O-N 3.21Å; L401-E404 PolarHBondContact O-N 2.85Å
405T63.9Low89.6Confident137 Ų13777.6 Ų77.684%0.8437%0.373SS*.  trans-105.70-179.461.30000112.8R256 L401 E403R256-T405 PolarHBondContact NH1-OXT 3.23Å; L401-T405 WeakPolarHBondContact O-CG2 3.42Å; L401-T405 PolarHBondContact O-N 3.28Å; L401-T405 PolarHBondContact O-OG1 2.97Å; E403-T405 VanDerWaalsContact C-N 3.35Å

Retrieved 405 of 405 residues in 1123.8 ms (Link to these results)

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