A0A087XKN2_POEFO Loading...

Glucosidase alpha, neutral C

AlphaFold DB , UniProt , Accession A0A087XKN2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 558 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
1M96.9Very high98.6Very high36 Ų367.3 Ų7.318%0.1774%0.038CC..  01220-165.661.4-160.300109.1R209 Y325 F328 H329 H332 Y458 Y467M1-R209 WeakPolarHBondContact O-CD 2.88Å; M1-Y325 HydrophobicContact CE-CD1 4.29Å; M1-Y325 HydrophobicContact CE-CD2 3.4Å; M1-Y325 VanDerWaalsContact CE-CD2 3.4Å; M1-Y325 HydrophobicContact CE-CE1 4.11Å; M1-Y325 HydrophobicContact CE-CE2 3.19Å; M1-Y325 HydrophobicContact CE-CG 3.95Å; M1-Y325 VanDerWaalsContact CE-O 3.29Å; M1-Y325 WeakPolarHBondContact CE-O 3.41Å; M1-F328 HydrophobicContact CE-CB 3.78Å; M1-F328 VanDerWaalsContact SD-C 3.55Å; M1-F328 HydrophobicContact SD-CB 4.21Å; M1-H329 HydrophobicContact CE-CB 4.37Å; M1-H329 HydrophobicContact SD-CB 4.28Å; M1-H332 PolarHBondContact N-ND1 3.46Å; M1-H332 HydrophobicContact SD-CB 4.21Å; M1-Y458 HydrophobicContact CE-CD1 4.41Å; M1-Y458 HydrophobicContact CE-CE1 4.31Å; M1-Y467 HydrophobicContact CB-CE1 4.24Å
2P98.4Very high98.7Very high13 Ų136.8 Ų6.88%0.0844%0.035CC..  trans-69.6150.7176.428.1-33.6000111.9L7 R209 F256 F328P2-L7 HydrophobicContact CB-CD2 4.32Å; P2-L7 HydrophobicContact CG-CD1 4.38Å; P2-L7 HydrophobicContact CG-CD2 3.97Å; P2-L7 HydrophobicContact CG-CG 4.34Å; P2-R209 PolarHBondContact O-NH2 2.79Å; P2-F256 HydrophobicContact CB-CD2 4.15Å; P2-F256 HydrophobicContact CB-CE2 3.74Å; P2-F256 HydrophobicContact CB-CZ 4.36Å; P2-F328 HydrophobicContact CG-CB 3.88Å; P2-F328 HydrophobicContact CG-CD1 3.6Å; P2-F328 HydrophobicContact CG-CD2 4.31Å; P2-F328 HydrophobicContact CG-CE1 4.16Å; P2-F328 HydrophobicContact CG-CG 3.66Å
3P98.8Very high98.7Very high3 Ų37.5 Ų7.52%0.0194%0.037CC..  trans-65.4137.8163.929.5-32.8000109.6F5 S6 F211 G462P3-F5 VanDerWaalsContact C-N 3.27Å; P3-F5 HydrophobicContact CB-CD1 3.75Å; P3-F5 HydrophobicContact CB-CE1 3.54Å; P3-F5 HydrophobicContact CB-CZ 4.5Å; P3-F5 HydrophobicContact CG-CD1 4.09Å; P3-F5 HydrophobicContact CG-CE1 3.49Å; P3-F5 VanDerWaalsContact CG-CE1 3.49Å; P3-F5 HydrophobicContact CG-CZ 3.99Å; P3-F5 PolarHBondContact O-N 2.89Å; P3-S6 WeakPolarHBondContact O-CB 3.17Å; P3-S6 PolarHBondContact O-N 2.95Å; P3-S6 PolarHBondContact O-OG 3.37Å; P3-F211 HydrophobicContact CG-CB 3.98Å; P3-G462 CarbonylContact C-O 3.49Å; P3-G462 WeakPolarHBondContact CA-O 3.33Å
4L98.8Very high98.6Very high10 Ų109.9 Ų9.95%0.0525%0.045CC..G310 helixtrans-59-36.5-169179.766.7000113.1S6 L7 L321 Y325 T433 Q437 G462L4-S6 PolarHBondContact O-N 3.22Å; L4-S6 VanDerWaalsContact O-N 3.1Å; L4-L7 HydrophobicContact CD1-CD1 4.31Å; L4-L7 WeakPolarHBondContact O-CB 3.33Å; L4-L7 PolarHBondContact O-N 3.12Å; L4-L321 HydrophobicContact CD1-CD2 4.31Å; L4-Y325 HydrophobicContact CB-CD2 4.33Å; L4-Y325 HydrophobicContact CB-CE2 4.05Å; L4-Y325 HydrophobicContact CD1-CD1 4.46Å; L4-Y325 HydrophobicContact CD1-CD2 3.51Å; L4-Y325 HydrophobicContact CD1-CE2 4.1Å; L4-Y325 HydrophobicContact CD1-CG 3.73Å; L4-Y325 HydrophobicContact CG-CD2 4.5Å; L4-T433 HydrophobicContact CG-CG2 4.42Å; L4-Q437 HydrophobicContact CD2-CG 3.14Å; L4-G462 PolarHBondContact N-O 3.23Å
5F98.9Very high98.6Very high13 Ų139.6 Ų9.66%0.0575%0.045CC..G310 helixtrans-56.4-30.2178.480.6-97.3000112.2P3 L7 G8 D37 V38 K75 F151 F211 T433P3-F5 VanDerWaalsContact C-N 3.27Å; P3-F5 HydrophobicContact CB-CD1 3.75Å; P3-F5 HydrophobicContact CB-CE1 3.54Å; P3-F5 HydrophobicContact CB-CZ 4.5Å; P3-F5 HydrophobicContact CG-CD1 4.09Å; P3-F5 HydrophobicContact CG-CE1 3.49Å; P3-F5 VanDerWaalsContact CG-CE1 3.49Å; P3-F5 HydrophobicContact CG-CZ 3.99Å; P3-F5 PolarHBondContact O-N 2.89Å; F5-L7 PolarHBondContact O-N 3.15Å; F5-G8 PolarHBondContact O-N 3.13Å; F5-D37 HydrophobicContact CB-CB 4.32Å; F5-D37 WeakPolarHBondContact O-CB 3.08Å; F5-V38 HydrophobicContact CD2-CG2 3.56Å; F5-V38 HydrophobicContact CE2-CG2 3.81Å; F5-K75 HydrophobicContact CB-CG 4.45Å; F5-K75 HydrophobicContact CD1-CG 4.19Å; F5-K75 HydrophobicContact CD2-CB 4.19Å; F5-K75 HydrophobicContact CD2-CG 3.67Å; F5-K75 HydrophobicContact CE1-CG 4.39Å; F5-K75 HydrophobicContact CE2-CB 4.14Å; F5-K75 HydrophobicContact CE2-CG 3.91Å; F5-K75 HydrophobicContact CG-CG 3.84Å; F5-K75 HydrophobicContact CZ-CG 4.27Å; F5-F151 HydrophobicContact CE1-CD2 4.24Å; F5-F151 AromaticContact CE1-CE1 3.95Å; F5-F151 HydrophobicContact CE1-CE1 3.95Å; F5-F151 AromaticContact CE1-CE2 3.6Å; F5-F151 HydrophobicContact CE1-CE2 3.6Å; F5-F151 AromaticContact CE1-CZ 3.43Å; F5-F151 HydrophobicContact CE1-CZ 3.43Å; F5-F151 VanDerWaalsContact CE1-CZ 3.43Å; F5-F151 HydrophobicContact CE2-CD2 4.11Å; F5-F151 HydrophobicContact CE2-CE2 4.22Å; F5-F151 AromaticContact CZ-CD1 3.96Å; F5-F151 HydrophobicContact CZ-CD1 3.96Å; F5-F151 AromaticContact CZ-CD2 3.51Å; F5-F151 HydrophobicContact CZ-CD2 3.51Å; F5-F151 AromaticContact CZ-CE1 3.8Å; F5-F151 HydrophobicContact CZ-CE1 3.8Å; F5-F151 AromaticContact CZ-CE2 3.36Å; F5-F151 HydrophobicContact CZ-CE2 3.36Å; F5-F151 AromaticContact CZ-CG 3.81Å; F5-F151 HydrophobicContact CZ-CG 3.81Å; F5-F151 AromaticContact CZ-CZ 3.5Å; F5-F151 HydrophobicContact CZ-CZ 3.5Å; F5-F211 HydrophobicContact CE2-CB 4.43Å; F5-F211 HydrophobicContact CE2-CD1 4.4Å; F5-F211 HydrophobicContact CE2-CG 4.39Å; F5-F211 HydrophobicContact CZ-CB 3.77Å; F5-F211 HydrophobicContact CZ-CD1 4.48Å; F5-F211 HydrophobicContact CZ-CG 4.2Å; F5-T433 VanDerWaalsContact CA-OG1 3.32Å; F5-T433 WeakPolarHBondContact CA-OG1 3.24Å
6S98.9Very high98.6Very high0 Ų09 Ų90%04%0.042CC..G310 helixtrans-72.9-12.1179.971.30000113.6P3 L4 H10 F256P3-S6 WeakPolarHBondContact O-CB 3.17Å; P3-S6 PolarHBondContact O-N 2.95Å; P3-S6 PolarHBondContact O-OG 3.37Å; L4-S6 PolarHBondContact O-N 3.22Å; L4-S6 VanDerWaalsContact O-N 3.1Å; S6-H10 WeakPolarHBondContact CA-NE2 3.28Å; S6-H10 PolarHBondContact O-NE2 2.86Å; S6-F256 WeakPolarHBondContact O-CZ 3.4Å; S6-F256 WeakPolarHBondContact OG-CZ 3.11Å
7L98.9Very high98.6Very high0 Ų014 Ų140%07%0.069CC..G310 helixtrans-90.5-5.7171-54.8-171.7000112.2P2 L4 F5 F256 R317 L321 W324 Y325 F328P2-L7 HydrophobicContact CB-CD2 4.32Å; P2-L7 HydrophobicContact CG-CD1 4.38Å; P2-L7 HydrophobicContact CG-CD2 3.97Å; P2-L7 HydrophobicContact CG-CG 4.34Å; L4-L7 HydrophobicContact CD1-CD1 4.31Å; L4-L7 WeakPolarHBondContact O-CB 3.33Å; L4-L7 PolarHBondContact O-N 3.12Å; F5-L7 PolarHBondContact O-N 3.15Å; L7-F256 HydrophobicContact CD2-CD1 4.45Å; L7-F256 HydrophobicContact CD2-CE1 3.71Å; L7-F256 HydrophobicContact CD2-CZ 3.79Å; L7-R317 PolarHBondContact O-NE 3.14Å; L7-R317 PolarHBondContact O-NH2 2.79Å; L7-L321 HydrophobicContact CB-CD2 3.77Å; L7-L321 WeakPolarHBondContact O-CD2 3.35Å; L7-W324 HydrophobicContact CD1-CB 4.38Å; L7-Y325 HydrophobicContact CD1-CD2 3.83Å; L7-F328 HydrophobicContact CD1-CD2 3.63Å; L7-F328 HydrophobicContact CD1-CE2 4.12Å; L7-F328 HydrophobicContact CD1-CG 4.35Å; L7-F328 HydrophobicContact CD2-CD2 3.65Å; L7-F328 HydrophobicContact CD2-CE2 3.34Å; L7-F328 HydrophobicContact CD2-CG 4.39Å; L7-F328 HydrophobicContact CD2-CZ 3.83Å; L7-F328 HydrophobicContact CG-CD2 4.32Å; L7-F328 HydrophobicContact CG-CE2 4.39Å
8G98.8Very high98.6Very high0 Ų016.3 Ų16.30%08%0.082CC..SBendtrans-72.6-166173.200000112.6F5 H10F5-G8 PolarHBondContact O-N 3.13Å; G8-H10 PolarHBondContact O-CD2 3.24Å
9Y98.9Very high98.6Very high0 Ų016.4 Ų16.40%08%0.082CC..  trans-88.7135.8171.9176.1-116.6000111.4Q11 F29 D37 Y277 F286 I314 Y318Y9-Q11 HydrophobicContact CE1-CB 4.18Å; Y9-Q11 PolarHBondContact OH-OE1 2.92Å; Y9-F29 HydrophobicContact CD1-CE1 4.03Å; Y9-F29 HydrophobicContact CD1-CZ 4.38Å; Y9-F29 AromaticContact CE1-CE1 3.74Å; Y9-F29 HydrophobicContact CE1-CE1 3.74Å; Y9-F29 AromaticContact CE1-CZ 3.77Å; Y9-F29 HydrophobicContact CE1-CZ 3.77Å; Y9-D37 PolarHBondContact O-N 2.75Å; Y9-Y277 HydrophobicContact CE1-CE1 4.44Å; Y9-Y277 HydrophobicContact CE2-CD1 4.44Å; Y9-Y277 AromaticContact CE2-CE1 3.65Å; Y9-Y277 HydrophobicContact CE2-CE1 3.65Å; Y9-Y277 AromaticContact CZ-CE1 3.62Å; Y9-Y277 WeakPolarHBondContact OH-CE1 3.42Å; Y9-Y277 PolarHBondContact OH-OH 2.68Å; Y9-F286 AromaticContact CD2-CD1 3.61Å; Y9-F286 HydrophobicContact CD2-CD1 3.61Å; Y9-F286 HydrophobicContact CD2-CD2 4.02Å; Y9-F286 AromaticContact CD2-CE1 3.43Å; Y9-F286 HydrophobicContact CD2-CE1 3.43Å; Y9-F286 VanDerWaalsContact CD2-CE1 3.43Å; Y9-F286 AromaticContact CD2-CE2 3.84Å; Y9-F286 HydrophobicContact CD2-CE2 3.84Å; Y9-F286 AromaticContact CD2-CG 3.91Å; Y9-F286 HydrophobicContact CD2-CG 3.91Å; Y9-F286 AromaticContact CD2-CZ 3.56Å; Y9-F286 HydrophobicContact CD2-CZ 3.56Å; Y9-F286 HydrophobicContact CE2-CD2 4.43Å; Y9-F286 HydrophobicContact CE2-CE1 4.38Å; Y9-F286 HydrophobicContact CE2-CE2 4.09Å; Y9-F286 HydrophobicContact CE2-CZ 4.08Å; Y9-F286 HydrophobicContact CG-CD1 4.16Å; Y9-F286 AromaticContact CG-CE1 3.9Å; Y9-F286 HydrophobicContact CG-CE1 3.9Å; Y9-F286 HydrophobicContact CG-CZ 4.34Å; Y9-I314 HydrophobicContact CD1-CD1 4.05Å; Y9-I314 HydrophobicContact CE1-CD1 4.24Å; Y9-I314 HydrophobicContact CG-CD1 4.31Å; Y9-Y318 PolarHBondContact N-OH 3.22Å
10H98.9Very high98.6Very high0 Ų018.6 Ų18.60%010%0.103CC..EExtended strand (participates in β ladder)trans-110.3124.7179.3-69.6-118.6000110.3S6 G8 V38 W40 F211 F286 R287 G288S6-H10 WeakPolarHBondContact CA-NE2 3.28Å; S6-H10 PolarHBondContact O-NE2 2.86Å; G8-H10 PolarHBondContact O-CD2 3.24Å; H10-V38 VanDerWaalsContact CE1-CG2 3.41Å; H10-V38 WeakPolarHBondContact CE1-CG2 3.46Å; H10-V38 WeakPolarHBondContact ND1-CB 3.29Å; H10-V38 WeakPolarHBondContact ND1-CG2 3.26Å; H10-W40 HydrophobicContact CB-CZ2 4.44Å; H10-W40 AromaticContact CG-NE1 3.59Å; H10-W40 AromaticContact ND1-CE2 3.47Å; H10-W40 AromaticContact ND1-CZ2 3.28Å; H10-W40 VanDerWaalsContact ND1-CZ2 3.28Å; H10-W40 WeakPolarHBondContact ND1-CZ2 3.32Å; H10-W40 AromaticContact ND1-NE1 3.1Å; H10-W40 PolarHBondContact ND1-NE1 2.63Å; H10-W40 VanDerWaalsContact ND1-NE1 3.1Å; H10-F211 AromaticContact CE1-CZ 3.72Å; H10-F286 WeakPolarHBondContact CB-O 3.3Å; H10-F286 PolarHBondContact N-O 3.17Å; H10-R287 HydrophobicContact CB-CB 3.82Å; H10-R287 HydrophobicContact CB-CG 3.85Å; H10-R287 WeakPolarHBondContact O-CA 3.41Å; H10-G288 PolarHBondContact O-N 2.77Å
11Q98.9Very high98.6Very high5 Ų518.3 Ų18.32%0.02310%0.101CC..EExtended strand (participates in β ladder)trans-102.9123.2176.2178.961.54900111Y9 Y16 V25 F29 Y36 V38 I39 W40Y9-Q11 HydrophobicContact CE1-CB 4.18Å; Y9-Q11 PolarHBondContact OH-OE1 2.92Å; Q11-Y16 HydrophobicContact CG-CE2 4.27Å; Q11-Y16 WeakPolarHBondContact CG-OH 3.4Å; Q11-Y16 PolarHBondContact NE2-OH 2.93Å; Q11-V25 HydrophobicContact CG-CG1 4.12Å; Q11-F29 HydrophobicContact CB-CE2 3.86Å; Q11-F29 HydrophobicContact CB-CZ 3.77Å; Q11-F29 HydrophobicContact CG-CE2 3.76Å; Q11-F29 HydrophobicContact CG-CZ 3.83Å; Q11-Y36 HydrophobicContact CB-CD2 4.29Å; Q11-V38 PolarHBondContact N-O 3.16Å; Q11-I39 WeakPolarHBondContact O-CA 3.25Å; Q11-W40 VanDerWaalsContact O-CD1 3.27Å; Q11-W40 PolarHBondContact O-N 2.98Å
12C98.9Very high98.7Very high1 Ų116.6 Ų16.61%0.0079%0.093CC..  trans-143.7158-178.6-1710000111.2W40 R287 G288 H289C12-W40 HydrophobicContact CB-CB 3.53Å; C12-W40 HydrophobicContact CB-CD2 4.34Å; C12-W40 HydrophobicContact CB-CG 3.73Å; C12-W40 WeakPolarHBondContact SG-CB 3.17Å; C12-R287 HydrophobicContact CB-CG 4.07Å; C12-G288 CarbonylContact C-O 3.55Å; C12-G288 VanDerWaalsContact CA-O 3.3Å; C12-G288 WeakPolarHBondContact CA-O 3.46Å; C12-G288 WeakPolarHBondContact CB-O 3.32Å; C12-G288 PolarHBondContact N-O 3.37Å; C12-H289 HydrophobicContact CB-CB 4.05Å; C12-H289 WeakPolarHBondContact O-CA 3.46Å; C12-H289 VanDerWaalsContact SG-CE1 3.59Å; C12-H289 PolarHBondContact SG-ND1 3.22Å
13R98.7Very high98.7Very high16 Ų1619.3 Ų19.36%0.0610%0.103CC..  trans-162.6161.2160.261.2168.4-63.1118.22.4108.7N15 Y16 S290 T294 K295R13-N15 WeakPolarHBondContact CD-O 3.42Å; R13-N15 PolarHBondContact NE-O 2.79Å; R13-N15 VanDerWaalsContact O-CA 3.31Å; R13-N15 WeakPolarHBondContact O-CA 3.45Å; R13-Y16 HydrophobicContact CG-CD1 4.06Å; R13-Y16 HydrophobicContact CG-CD2 4.36Å; R13-Y16 HydrophobicContact CG-CE1 3.8Å; R13-Y16 HydrophobicContact CG-CE2 4.16Å; R13-Y16 HydrophobicContact CG-CG 4.3Å; R13-S290 VanDerWaalsContact CB-OG 3.3Å; R13-S290 WeakPolarHBondContact CB-OG 3.3Å; R13-S290 PolarHBondContact NH1-OG 3.02Å; R13-T294 PolarHBondContact NH2-O 2.81Å; R13-T294 VanDerWaalsContact NH2-O 3.1Å; R13-K295 PolarHBondContact NH1-O 2.82Å
14W98.3Very high98.7Very high41 Ų4122 Ų2216%0.15513%0.125CC..SBendtrans-88118.2160.4-172.92000108.7D42 I43 E44 W116 F264 S290 N292W14-D42 HydrophobicContact CB-CB 4.32Å; W14-D42 WeakPolarHBondContact CB-OD2 3.45Å; W14-D42 HydrophobicContact CG-CB 4.41Å; W14-I43 HydrophobicContact CZ2-CD1 3.81Å; W14-I43 HydrophobicContact CZ2-CG1 4.44Å; W14-E44 PolarHBondContact NE1-OE1 3.02Å; W14-W116 HydrophobicContact CH2-CE3 4.5Å; W14-W116 AromaticContact CH2-CH2 3.43Å; W14-W116 HydrophobicContact CH2-CH2 3.43Å; W14-W116 VanDerWaalsContact CH2-CH2 3.43Å; W14-W116 HydrophobicContact CH2-CZ2 4.06Å; W14-W116 AromaticContact CH2-CZ3 3.68Å; W14-W116 HydrophobicContact CH2-CZ3 3.68Å; W14-W116 HydrophobicContact CZ2-CH2 4.33Å; W14-W116 HydrophobicContact CZ2-CZ3 4.27Å; W14-W116 AromaticContact CZ3-CH2 3.98Å; W14-W116 HydrophobicContact CZ3-CH2 3.98Å; W14-W116 HydrophobicContact CZ3-CZ2 4.38Å; W14-F264 HydrophobicContact CE3-CZ 4.08Å; W14-S290 PolarHBondContact N-O 2.95Å; W14-N292 HydrophobicContact CB-CB 4.32Å; W14-N292 HydrophobicContact CD2-CB 3.65Å; W14-N292 HydrophobicContact CE3-CB 4.07Å; W14-N292 HydrophobicContact CG-CB 3.77Å; W14-N292 HydrophobicContact CZ2-CB 4.4Å; W14-N292 VanDerWaalsContact O-CA 3.28Å; W14-N292 WeakPolarHBondContact O-CA 3.49Å
15N97.9Very high98.8Very high6 Ų621.7 Ų21.73%0.03212%0.124CC..  cis-105.1170.9-37-158.828.4000110.8R13 D42 E44 H45R13-N15 WeakPolarHBondContact CD-O 3.42Å; R13-N15 PolarHBondContact NE-O 2.79Å; R13-N15 VanDerWaalsContact O-CA 3.31Å; R13-N15 WeakPolarHBondContact O-CA 3.45Å; N15-D42 HydrophobicContact CB-CB 4.39Å; N15-D42 WeakPolarHBondContact OD1-CA 3.4Å; N15-D42 WeakPolarHBondContact OD1-CB 3.35Å; N15-D42 PolarHBondContact OD1-N 2.76Å; N15-E44 HydrophobicContact CB-CB 3.74Å; N15-E44 HydrophobicContact CB-CG 3.76Å; N15-E44 WeakPolarHBondContact ND2-CB 3.41Å; N15-H45 PolarHBondContact ND2-N 2.93Å
16Y98.7Very high98.8Very high0 Ų021 Ų210%012%0.121CC..  trans-77.8131151.4-74.4-55.1000109.9Q11 R13 D18 V22 V25 I39 W40 E298Q11-Y16 HydrophobicContact CG-CE2 4.27Å; Q11-Y16 WeakPolarHBondContact CG-OH 3.4Å; Q11-Y16 PolarHBondContact NE2-OH 2.93Å; R13-Y16 HydrophobicContact CG-CD1 4.06Å; R13-Y16 HydrophobicContact CG-CD2 4.36Å; R13-Y16 HydrophobicContact CG-CE1 3.8Å; R13-Y16 HydrophobicContact CG-CE2 4.16Å; R13-Y16 HydrophobicContact CG-CG 4.3Å; Y16-D18 PolarHBondContact O-N 3.23Å; Y16-V22 HydrophobicContact CG-CG2 4.48Å; Y16-V25 HydrophobicContact CD1-CG2 3.93Å; Y16-V25 HydrophobicContact CE1-CB 4.35Å; Y16-V25 HydrophobicContact CE1-CG1 4.32Å; Y16-V25 HydrophobicContact CE1-CG2 3.41Å; Y16-V25 VanDerWaalsContact CE1-CG2 3.41Å; Y16-I39 HydrophobicContact CD2-CD1 4.03Å; Y16-I39 HydrophobicContact CD2-CG1 3.84Å; Y16-I39 HydrophobicContact CE2-CD1 3.8Å; Y16-I39 HydrophobicContact CE2-CG1 3.65Å; Y16-W40 WeakPolarHBondContact CD2-O 3.25Å; Y16-E298 VanDerWaalsContact CE1-OE1 3.24Å; Y16-E298 WeakPolarHBondContact CE1-OE1 3.32Å; Y16-E298 PolarHBondContact OH-OE1 2.89Å
17N98.4Very high98.7Very high94 Ų9423 Ų2350%0.50314%0.137SC..  trans-69.4-42.3-161.5-65.5-32.4000113.3D21N17-D21 HydrophobicContact CB-CB 4.24Å; N17-D21 PolarHBondContact N-OD2 3.26Å
18D98.8Very high98.7Very high56 Ų5623.2 Ų23.230%0.29914%0.139SC..SBendtrans-161.7-176.4-17461.124.7000111Y16 A20 D21 V22 L58Y16-D18 PolarHBondContact O-N 3.23Å; D18-A20 PolarHBondContact O-N 3.17Å; D18-A20 WeakPolarHBondContact OD1-CA 3.42Å; D18-A20 WeakPolarHBondContact OD1-CB 3.42Å; D18-A20 PolarHBondContact OD1-N 2.93Å; D18-D21 PolarHBondContact O-N 3.36Å; D18-D21 PolarHBondContact OD1-N 3.23Å; D18-V22 WeakPolarHBondContact O-CG2 3.41Å; D18-V22 PolarHBondContact O-N 3.38Å; D18-V22 VanDerWaalsContact O-N 3.15Å; D18-L58 WeakPolarHBondContact CA-O 3.42Å; D18-L58 HydrophobicContact CB-CB 4.2Å; D18-L58 HydrophobicContact CB-CD2 4.33Å; D18-L58 WeakPolarHBondContact CB-O 3.46Å
19E98.8Very high98.7Very high18 Ų1823.2 Ų23.28%0.08414%0.139CC..Hα-helixtrans-59.8-30.2176.1-56.3-17017700114.5K23 L58 F59 K61 L65E19-K23 WeakPolarHBondContact O-CB 3.35Å; E19-K23 WeakPolarHBondContact O-CD 3.47Å; E19-K23 VanDerWaalsContact O-CG 3.22Å; E19-K23 WeakPolarHBondContact O-CG 3.34Å; E19-K23 PolarHBondContact O-N 3.34Å; E19-K23 VanDerWaalsContact O-N 3.11Å; E19-K23 IonicContact OE2-NZ 3.29Å; E19-K23 PolarHBondContact OE2-NZ 2.84Å; E19-L58 PolarHBondContact N-O 3.16Å; E19-L58 VanDerWaalsContact N-O 3.13Å; E19-F59 HydrophobicContact CG-CD1 4.01Å; E19-K61 WeakPolarHBondContact OE1-CA 3.34Å; E19-K61 WeakPolarHBondContact OE1-CB 3.26Å; E19-K61 PolarHBondContact OE1-N 3.11Å; E19-L65 HydrophobicContact CB-CD1 4.27Å; E19-L65 HydrophobicContact CB-CD2 4.24Å; E19-L65 HydrophobicContact CG-CD2 4.05Å
20A98.8Very high98.7Very high60 Ų6025.7 Ų25.750%0.49615%0.153SC..Hα-helixtrans-74.2-39.7-17800000110.4D18 K23 A24D18-A20 PolarHBondContact O-N 3.17Å; D18-A20 WeakPolarHBondContact OD1-CA 3.42Å; D18-A20 WeakPolarHBondContact OD1-CB 3.42Å; D18-A20 PolarHBondContact OD1-N 2.93Å; A20-K23 PolarHBondContact O-N 3.43Å; A20-A24 WeakPolarHBondContact O-CB 3.4Å; A20-A24 PolarHBondContact O-N 3.17Å
21D98.9Very high98.7Very high13 Ų1334.9 Ų34.97%0.0719%0.187CC..Hα-helixtrans-61.3-46.8173.8-160.123.6000110.9N17 D18 K23 A24 V25 R296N17-D21 HydrophobicContact CB-CB 4.24Å; N17-D21 PolarHBondContact N-OD2 3.26Å; D18-D21 PolarHBondContact O-N 3.36Å; D18-D21 PolarHBondContact OD1-N 3.23Å; D21-K23 PolarHBondContact O-N 3.13Å; D21-A24 WeakPolarHBondContact O-CB 3.43Å; D21-A24 PolarHBondContact O-N 3Å; D21-A24 VanDerWaalsContact O-N 3.14Å; D21-V25 VanDerWaalsContact O-CG2 3.28Å; D21-V25 WeakPolarHBondContact O-CG2 3.3Å; D21-V25 PolarHBondContact O-N 3.16Å; D21-R296 VanDerWaalsContact CG-NH1 3.31Å; D21-R296 IonicContact OD1-CZ 3.37Å; D21-R296 VanDerWaalsContact OD1-CZ 3.23Å; D21-R296 IonicContact OD1-NH1 3.44Å; D21-R296 PolarHBondContact OD1-NH1 3.13Å; D21-R296 IonicContact OD1-NH2 2.93Å; D21-R296 PolarHBondContact OD1-NH2 3.47Å; D21-R296 IonicContact OD2-CZ 3.59Å; D21-R296 IonicContact OD2-NH1 3.27Å; D21-R296 PolarHBondContact OD2-NH1 3.34Å
22V98.9Very high98.7Very high0 Ų036.9 Ų36.90%020%0.196CC..Hα-helixtrans-57.7-47175.4175.90000111.5Y16 D18 A24 V25 D26 I39 L41 F59 L65Y16-V22 HydrophobicContact CG-CG2 4.48Å; D18-V22 WeakPolarHBondContact O-CG2 3.41Å; D18-V22 PolarHBondContact O-N 3.38Å; D18-V22 VanDerWaalsContact O-N 3.15Å; V22-A24 VanDerWaalsContact C-N 3.33Å; V22-A24 PolarHBondContact O-N 2.78Å; V22-V25 PolarHBondContact O-N 2.72Å; V22-D26 WeakPolarHBondContact O-CB 3.39Å; V22-D26 PolarHBondContact O-N 3.5Å; V22-I39 HydrophobicContact CB-CD1 4.48Å; V22-I39 HydrophobicContact CG1-CD1 3.9Å; V22-I39 HydrophobicContact CG1-CG1 4.38Å; V22-I39 HydrophobicContact CG1-CG2 3.92Å; V22-L41 HydrophobicContact CG2-CD2 3.73Å; V22-F59 HydrophobicContact CG2-CE1 4.25Å; V22-L65 HydrophobicContact CB-CD1 4.08Å; V22-L65 HydrophobicContact CB-CD2 4.24Å; V22-L65 HydrophobicContact CG1-CD1 3.79Å; V22-L65 HydrophobicContact CG1-CD2 4.11Å; V22-L65 HydrophobicContact CG1-CG 4.26Å; V22-L65 HydrophobicContact CG2-CD2 4.31Å
23K98.9Very high98.7Very high69 Ų6944.1 Ų44.130%0.323%0.228SC..Hα-helixtrans-65.2-35.6177.8-72164.2-171.91470112.1E19 A20 D21 A27 L65E19-K23 WeakPolarHBondContact O-CB 3.35Å; E19-K23 WeakPolarHBondContact O-CD 3.47Å; E19-K23 VanDerWaalsContact O-CG 3.22Å; E19-K23 WeakPolarHBondContact O-CG 3.34Å; E19-K23 PolarHBondContact O-N 3.34Å; E19-K23 VanDerWaalsContact O-N 3.11Å; E19-K23 IonicContact OE2-NZ 3.29Å; E19-K23 PolarHBondContact OE2-NZ 2.84Å; A20-K23 PolarHBondContact O-N 3.43Å; D21-K23 PolarHBondContact O-N 3.13Å; K23-A27 WeakPolarHBondContact O-CB 3.37Å; K23-A27 PolarHBondContact O-N 3.11Å; K23-L65 HydrophobicContact CD-CD1 4.35Å; K23-L65 HydrophobicContact CG-CD1 3.86Å
24A98.9Very high98.7Very high59 Ų5943.5 Ų43.549%0.48823%0.226SC..Hα-helixtrans-67.4-41.1177.400000111.6A20 D21 V22 A27 G28A20-A24 WeakPolarHBondContact O-CB 3.4Å; A20-A24 PolarHBondContact O-N 3.17Å; D21-A24 WeakPolarHBondContact O-CB 3.43Å; D21-A24 PolarHBondContact O-N 3Å; D21-A24 VanDerWaalsContact O-N 3.14Å; V22-A24 VanDerWaalsContact C-N 3.33Å; V22-A24 PolarHBondContact O-N 2.78Å; A24-A27 PolarHBondContact O-N 3.02Å; A24-G28 PolarHBondContact O-N 3.16Å
25V98.9Very high98.7Very high4 Ų441.7 Ų41.72%0.02422%0.219CC..Hα-helixtrans-65.9-47.6175.7174.20000110.6Q11 Y16 D21 V22 A27 G28 F29 I39 E298 W300Q11-V25 HydrophobicContact CG-CG1 4.12Å; Y16-V25 HydrophobicContact CD1-CG2 3.93Å; Y16-V25 HydrophobicContact CE1-CB 4.35Å; Y16-V25 HydrophobicContact CE1-CG1 4.32Å; Y16-V25 HydrophobicContact CE1-CG2 3.41Å; Y16-V25 VanDerWaalsContact CE1-CG2 3.41Å; D21-V25 VanDerWaalsContact O-CG2 3.28Å; D21-V25 WeakPolarHBondContact O-CG2 3.3Å; D21-V25 PolarHBondContact O-N 3.16Å; V22-V25 PolarHBondContact O-N 2.72Å; V25-A27 VanDerWaalsContact C-N 3.31Å; V25-A27 PolarHBondContact O-N 3.34Å; V25-G28 WeakPolarHBondContact O-CA 3.44Å; V25-G28 PolarHBondContact O-N 2.83Å; V25-F29 HydrophobicContact CG1-CD2 4.16Å; V25-F29 HydrophobicContact CG1-CE2 3.75Å; V25-F29 VanDerWaalsContact O-CD2 3.3Å; V25-F29 WeakPolarHBondContact O-CD2 3.27Å; V25-F29 PolarHBondContact O-N 2.97Å; V25-F29 VanDerWaalsContact O-N 3.14Å; V25-I39 HydrophobicContact CB-CD1 3.87Å; V25-I39 HydrophobicContact CG1-CD1 3.63Å; V25-E298 HydrophobicContact CG1-CG 4.29Å; V25-E298 HydrophobicContact CG2-CG 4.37Å; V25-W300 HydrophobicContact CG1-CH2 4.15Å; V25-W300 WeakPolarHBondContact O-CH2 3.38Å
26D98.9Very high98.8Very high0 Ų041.4 Ų41.40%022%0.218CC..Hα-helixtrans-55.6-44.8175.1174.467.4000112.1V22 G28 F29 Y36 H68 L69 K72 R74V22-D26 WeakPolarHBondContact O-CB 3.39Å; V22-D26 PolarHBondContact O-N 3.5Å; D26-G28 VanDerWaalsContact C-N 3.31Å; D26-G28 PolarHBondContact O-N 3.13Å; D26-F29 PolarHBondContact O-N 3.2Å; D26-Y36 WeakPolarHBondContact CA-OH 3.32Å; D26-Y36 VanDerWaalsContact CB-OH 3.27Å; D26-Y36 WeakPolarHBondContact CB-OH 3.37Å; D26-Y36 PolarHBondContact OD1-OH 2.9Å; D26-H68 IonicContact OD2-CD2 3.37Å; D26-H68 IonicContact OD2-NE2 3.27Å; D26-H68 PolarHBondContact OD2-NE2 3Å; D26-L69 HydrophobicContact CB-CD2 3.91Å; D26-K72 IonicContact OD2-NZ 2.81Å; D26-K72 PolarHBondContact OD2-NZ 3.14Å; D26-R74 PolarHBondContact O-NH1 3.37Å; D26-R74 WeakPolarHBondContact OD1-CD 3.48Å; D26-R74 IonicContact OD1-CZ 2.83Å; D26-R74 IonicContact OD1-NE 3.72Å; D26-R74 IonicContact OD1-NH1 2.81Å; D26-R74 PolarHBondContact OD1-NH1 3.48Å
27A98.8Very high98.8Very high40 Ų4041.4 Ų41.433%0.33122%0.218SC..Hα-helixtrans-67.3-29.5174.700000113.3K23 A24 V25 D30 R31K23-A27 WeakPolarHBondContact O-CB 3.37Å; K23-A27 PolarHBondContact O-N 3.11Å; A24-A27 PolarHBondContact O-N 3.02Å; V25-A27 VanDerWaalsContact C-N 3.31Å; V25-A27 PolarHBondContact O-N 3.34Å; A27-D30 PolarHBondContact O-N 2.77Å; A27-R31 WeakPolarHBondContact O-CB 3.44Å; A27-R31 PolarHBondContact O-N 2.96Å
28G98.8Very high98.8Very high5 Ų537 Ų375%0.05219%0.194CC..Hα-helixtrans-63-47.1175.600000112.2A24 V25 D26 D30 R31 H32A24-G28 PolarHBondContact O-N 3.16Å; V25-G28 WeakPolarHBondContact O-CA 3.44Å; V25-G28 PolarHBondContact O-N 2.83Å; D26-G28 VanDerWaalsContact C-N 3.31Å; D26-G28 PolarHBondContact O-N 3.13Å; G28-D30 VanDerWaalsContact C-N 3.3Å; G28-D30 PolarHBondContact O-N 2.9Å; G28-R31 PolarHBondContact O-N 2.7Å; G28-H32 PolarHBondContact O-CD2 3.19Å; G28-H32 PolarHBondContact O-N 3.38Å
29F98.9Very high98.8Very high0 Ų034.3 Ų34.30%018%0.18CC..Hα-helixtrans-56.3-44.5175.9-81.2-78.6000112.5Y9 Q11 V25 D26 H32 K33 I34 Y36 P299 W300Y9-F29 HydrophobicContact CD1-CE1 4.03Å; Y9-F29 HydrophobicContact CD1-CZ 4.38Å; Y9-F29 AromaticContact CE1-CE1 3.74Å; Y9-F29 HydrophobicContact CE1-CE1 3.74Å; Y9-F29 AromaticContact CE1-CZ 3.77Å; Y9-F29 HydrophobicContact CE1-CZ 3.77Å; Q11-F29 HydrophobicContact CB-CE2 3.86Å; Q11-F29 HydrophobicContact CB-CZ 3.77Å; Q11-F29 HydrophobicContact CG-CE2 3.76Å; Q11-F29 HydrophobicContact CG-CZ 3.83Å; V25-F29 HydrophobicContact CG1-CD2 4.16Å; V25-F29 HydrophobicContact CG1-CE2 3.75Å; V25-F29 VanDerWaalsContact O-CD2 3.3Å; V25-F29 WeakPolarHBondContact O-CD2 3.27Å; V25-F29 PolarHBondContact O-N 2.97Å; V25-F29 VanDerWaalsContact O-N 3.14Å; D26-F29 PolarHBondContact O-N 3.2Å; F29-H32 PolarHBondContact O-N 3.4Å; F29-K33 PolarHBondContact O-N 3.4Å; F29-I34 WeakPolarHBondContact CB-O 3.33Å; F29-I34 HydrophobicContact CD1-CB 3.78Å; F29-I34 HydrophobicContact CD1-CG2 3.67Å; F29-I34 WeakPolarHBondContact CD1-O 3.49Å; F29-I34 HydrophobicContact CE1-CB 4.37Å; F29-I34 HydrophobicContact CE1-CG2 3.82Å; F29-I34 PolarHBondContact O-N 3.46Å; F29-Y36 HydrophobicContact CB-CD1 3.38Å; F29-Y36 HydrophobicContact CB-CE1 3.56Å; F29-Y36 HydrophobicContact CB-CG 4.46Å; F29-Y36 AromaticContact CD1-CD1 3.64Å; F29-Y36 HydrophobicContact CD1-CD1 3.64Å; F29-Y36 HydrophobicContact CD1-CE1 4.43Å; F29-Y36 AromaticContact CD1-CG 3.93Å; F29-Y36 HydrophobicContact CD1-CG 3.93Å; F29-Y36 AromaticContact CD2-CD1 3.35Å; F29-Y36 HydrophobicContact CD2-CD1 3.35Å; F29-Y36 HydrophobicContact CD2-CD2 4.34Å; F29-Y36 AromaticContact CD2-CE1 3.33Å; F29-Y36 HydrophobicContact CD2-CE1 3.33Å; F29-Y36 HydrophobicContact CD2-CE2 4.38Å; F29-Y36 AromaticContact CD2-CG 3.85Å; F29-Y36 HydrophobicContact CD2-CG 3.85Å; F29-Y36 AromaticContact CD2-CZ 3.89Å; F29-Y36 HydrophobicContact CE1-CD1 4.3Å; F29-Y36 HydrophobicContact CE1-CG 4.16Å; F29-Y36 HydrophobicContact CE2-CD1 4.04Å; F29-Y36 HydrophobicContact CE2-CD2 4.29Å; F29-Y36 HydrophobicContact CE2-CE1 4.16Å; F29-Y36 HydrophobicContact CE2-CE2 4.47Å; F29-Y36 HydrophobicContact CE2-CG 4.07Å; F29-Y36 AromaticContact CG-CD1 3.14Å; F29-Y36 HydrophobicContact CG-CD1 3.14Å; F29-Y36 AromaticContact CG-CE1 3.52Å; F29-Y36 HydrophobicContact CG-CE1 3.52Å; F29-Y36 AromaticContact CG-CG 3.81Å; F29-Y36 HydrophobicContact CG-CG 3.81Å; F29-Y36 HydrophobicContact CZ-CD1 4.49Å; F29-Y36 HydrophobicContact CZ-CG 4.24Å; F29-P299 HydrophobicContact CE1-CG 4.14Å; F29-P299 HydrophobicContact CZ-CG 4.37Å; F29-W300 HydrophobicContact CB-CZ3 4.39Å; F29-W300 AromaticContact CD1-CZ3 3.89Å; F29-W300 HydrophobicContact CD1-CZ3 3.89Å; F29-W300 AromaticContact CD2-CH2 3.67Å; F29-W300 HydrophobicContact CD2-CH2 3.67Å; F29-W300 AromaticContact CD2-CZ3 3.69Å; F29-W300 HydrophobicContact CD2-CZ3 3.69Å; F29-W300 AromaticContact CE1-CZ3 3.94Å; F29-W300 HydrophobicContact CE1-CZ3 3.94Å; F29-W300 AromaticContact CE2-CH2 3.71Å; F29-W300 HydrophobicContact CE2-CH2 3.71Å; F29-W300 AromaticContact CE2-CZ3 3.75Å; F29-W300 HydrophobicContact CE2-CZ3 3.75Å; F29-W300 HydrophobicContact CG-CH2 4.15Å; F29-W300 AromaticContact CG-CZ3 3.73Å; F29-W300 HydrophobicContact CG-CZ3 3.73Å; F29-W300 HydrophobicContact CZ-CH2 4.23Å; F29-W300 AromaticContact CZ-CZ3 3.85Å; F29-W300 HydrophobicContact CZ-CZ3 3.85Å
30D98.6Very high98.8Very high53 Ų5333.4 Ų33.428%0.28318%0.176SC..Hα-helixtrans-65.4-45.8177.7-64.4-17.5000111.7A27 G28 H32 K33 K72 R74A27-D30 PolarHBondContact O-N 2.77Å; G28-D30 VanDerWaalsContact C-N 3.3Å; G28-D30 PolarHBondContact O-N 2.9Å; D30-H32 VanDerWaalsContact C-N 3.27Å; D30-H32 PolarHBondContact O-N 2.97Å; D30-K33 PolarHBondContact O-N 3.43Å; D30-K72 WeakPolarHBondContact OD2-CD 3.16Å; D30-K72 VanDerWaalsContact OD2-CE 3.27Å; D30-K72 WeakPolarHBondContact OD2-CE 3.24Å; D30-K72 IonicContact OD2-NZ 2.73Å; D30-K72 PolarHBondContact OD2-NZ 2.88Å; D30-R74 IonicContact OD1-CZ 3.69Å; D30-R74 VanDerWaalsContact OD1-CZ 3.25Å; D30-R74 IonicContact OD1-NH1 3.23Å; D30-R74 PolarHBondContact OD1-NH1 3.38Å; D30-R74 IonicContact OD1-NH2 3.48Å; D30-R74 PolarHBondContact OD1-NH2 2.65Å; D30-R74 IonicContact OD2-NH1 3Å; D30-R74 PolarHBondContact OD2-NH1 3.32Å
31R98.6Very high98.8Very high193 Ų19330.6 Ų30.673%0.72815%0.152SC*.Hα-helixtrans-58.4-41179.3-177.7-177.4-62.4177.71.8111.8A27 G28A27-R31 WeakPolarHBondContact O-CB 3.44Å; A27-R31 PolarHBondContact O-N 2.96Å; G28-R31 PolarHBondContact O-N 2.7Å
32H98.7Very high98.8Very high46 Ų4630.2 Ų30.221%0.21315%0.15CC..Hα-helixtrans-91.30.4-177.2-67-77.1000113.5G28 F29 D30 I34 W300 R311G28-H32 PolarHBondContact O-CD2 3.19Å; G28-H32 PolarHBondContact O-N 3.38Å; F29-H32 PolarHBondContact O-N 3.4Å; D30-H32 VanDerWaalsContact C-N 3.27Å; D30-H32 PolarHBondContact O-N 2.97Å; H32-I34 VanDerWaalsContact C-N 3.32Å; H32-I34 HydrophobicContact CB-CD1 4.1Å; H32-I34 HydrophobicContact CB-CG1 4.19Å; H32-I34 PolarHBondContact O-N 2.97Å; H32-W300 HydrophobicContact CB-CB 4.24Å; H32-W300 HydrophobicContact CB-CE3 4.47Å; H32-W300 VanDerWaalsContact CD2-CB 3.43Å; H32-W300 WeakPolarHBondContact CD2-CB 3.42Å; H32-W300 AromaticContact CD2-CD1 3.88Å; H32-W300 AromaticContact CD2-CD2 3.64Å; H32-W300 AromaticContact CD2-CG 3.34Å; H32-W300 AromaticContact CG-CG 3.93Å; H32-W300 AromaticContact NE2-CD1 3.69Å; H32-W300 AromaticContact NE2-CG 3.56Å; H32-R311 WeakPolarHBondContact O-CD 3.49Å; H32-R311 PolarHBondContact O-NH1 3.32Å
33K98.5Very high98.8Very high154 Ų15430.3 Ų30.367%0.6715%0.151SC*.THydrogen-bonded Turntrans59.240.2179.5-53.3177.4-179177.80112.9F29 D30 Q315F29-K33 PolarHBondContact O-N 3.4Å; D30-K33 PolarHBondContact O-N 3.43Å; K33-Q315 PolarHBondContact O-NE2 2.71Å
34I98.8Very high98.8Very high3 Ų329.8 Ų29.82%0.01515%0.149CC..  trans-105.7115.5177.9-59.1178.2000107.2F29 H32 P299 W300 T307 R311 I314F29-I34 WeakPolarHBondContact CB-O 3.33Å; F29-I34 HydrophobicContact CD1-CB 3.78Å; F29-I34 HydrophobicContact CD1-CG2 3.67Å; F29-I34 WeakPolarHBondContact CD1-O 3.49Å; F29-I34 HydrophobicContact CE1-CB 4.37Å; F29-I34 HydrophobicContact CE1-CG2 3.82Å; F29-I34 PolarHBondContact O-N 3.46Å; H32-I34 VanDerWaalsContact C-N 3.32Å; H32-I34 HydrophobicContact CB-CD1 4.1Å; H32-I34 HydrophobicContact CB-CG1 4.19Å; H32-I34 PolarHBondContact O-N 2.97Å; I34-P299 HydrophobicContact CD1-CB 3.59Å; I34-P299 HydrophobicContact CD1-CG 4.4Å; I34-W300 HydrophobicContact CD1-CE3 4.41Å; I34-T307 HydrophobicContact CD1-CG2 4.26Å; I34-R311 HydrophobicContact CD1-CB 4.29Å; I34-R311 HydrophobicContact CG1-CB 3.87Å; I34-R311 HydrophobicContact CG1-CG 3.98Å; I34-I314 HydrophobicContact CG2-CB 4.32Å; I34-I314 HydrophobicContact CG2-CD1 3.45Å; I34-I314 VanDerWaalsContact CG2-CD1 3.45Å; I34-I314 HydrophobicContact CG2-CG1 4.47Å; I34-I314 HydrophobicContact CG2-CG2 4.09Å
35P98.8Very high98.8Very high2 Ų227 Ų271%0.01313%0.126CC..  trans-70.9142.9177.126.2-28.3000110.8I314 Q315 Y318 T431 Y436P35-I314 HydrophobicContact CG-CG2 3.94Å; P35-I314 WeakPolarHBondContact O-CG2 3.41Å; P35-Q315 HydrophobicContact CG-CG 4.15Å; P35-Y318 HydrophobicContact CB-CD1 4.06Å; P35-Y318 HydrophobicContact CB-CD2 3.96Å; P35-Y318 HydrophobicContact CB-CE1 3.95Å; P35-Y318 HydrophobicContact CB-CE2 3.83Å; P35-Y318 HydrophobicContact CB-CG 4.08Å; P35-Y318 HydrophobicContact CG-CD1 4.36Å; P35-Y318 HydrophobicContact CG-CD2 3.58Å; P35-Y318 HydrophobicContact CG-CE2 3.83Å; P35-Y318 HydrophobicContact CG-CG 3.87Å; P35-T431 VanDerWaalsContact CA-O 3.27Å; P35-T431 WeakPolarHBondContact CA-O 3.47Å; P35-Y436 HydrophobicContact CB-CE2 4.22Å; P35-Y436 HydrophobicContact CG-CE2 4.4Å
36Y98.9Very high98.8Very high0 Ų027 Ų270%013%0.126CC..  trans-154.8155.817291.6-76.4000110.2Q11 D26 F29 I39 R74 Y318 T431 C432Q11-Y36 HydrophobicContact CB-CD2 4.29Å; D26-Y36 WeakPolarHBondContact CA-OH 3.32Å; D26-Y36 VanDerWaalsContact CB-OH 3.27Å; D26-Y36 WeakPolarHBondContact CB-OH 3.37Å; D26-Y36 PolarHBondContact OD1-OH 2.9Å; F29-Y36 HydrophobicContact CB-CD1 3.38Å; F29-Y36 HydrophobicContact CB-CE1 3.56Å; F29-Y36 HydrophobicContact CB-CG 4.46Å; F29-Y36 AromaticContact CD1-CD1 3.64Å; F29-Y36 HydrophobicContact CD1-CD1 3.64Å; F29-Y36 HydrophobicContact CD1-CE1 4.43Å; F29-Y36 AromaticContact CD1-CG 3.93Å; F29-Y36 HydrophobicContact CD1-CG 3.93Å; F29-Y36 AromaticContact CD2-CD1 3.35Å; F29-Y36 HydrophobicContact CD2-CD1 3.35Å; F29-Y36 HydrophobicContact CD2-CD2 4.34Å; F29-Y36 AromaticContact CD2-CE1 3.33Å; F29-Y36 HydrophobicContact CD2-CE1 3.33Å; F29-Y36 HydrophobicContact CD2-CE2 4.38Å; F29-Y36 AromaticContact CD2-CG 3.85Å; F29-Y36 HydrophobicContact CD2-CG 3.85Å; F29-Y36 AromaticContact CD2-CZ 3.89Å; F29-Y36 HydrophobicContact CE1-CD1 4.3Å; F29-Y36 HydrophobicContact CE1-CG 4.16Å; F29-Y36 HydrophobicContact CE2-CD1 4.04Å; F29-Y36 HydrophobicContact CE2-CD2 4.29Å; F29-Y36 HydrophobicContact CE2-CE1 4.16Å; F29-Y36 HydrophobicContact CE2-CE2 4.47Å; F29-Y36 HydrophobicContact CE2-CG 4.07Å; F29-Y36 AromaticContact CG-CD1 3.14Å; F29-Y36 HydrophobicContact CG-CD1 3.14Å; F29-Y36 AromaticContact CG-CE1 3.52Å; F29-Y36 HydrophobicContact CG-CE1 3.52Å; F29-Y36 AromaticContact CG-CG 3.81Å; F29-Y36 HydrophobicContact CG-CG 3.81Å; F29-Y36 HydrophobicContact CZ-CD1 4.49Å; F29-Y36 HydrophobicContact CZ-CG 4.24Å; Y36-I39 HydrophobicContact CE2-CB 4.03Å; Y36-R74 VanDerWaalsContact CD1-CZ 3.44Å; Y36-R74 VanDerWaalsContact CZ-CD 3.48Å; Y36-R74 PolarHBondContact O-NE 3.21Å; Y36-R74 VanDerWaalsContact O-NE 3.15Å; Y36-Y318 VanDerWaalsContact C-OH 3.28Å; Y36-Y318 WeakPolarHBondContact CA-OH 3.35Å; Y36-Y318 PolarHBondContact N-OH 2.89Å; Y36-T431 PolarHBondContact N-O 2.69Å; Y36-C432 WeakPolarHBondContact O-CB 3.4Å
37D98.9Very high98.7Very high1 Ų130.2 Ų30.21%0.00514%0.143CC..  trans-111.4-34.1-174.6-85.8-94000113.9F5 Y9 R74 K75 Y318 T433F5-D37 HydrophobicContact CB-CB 4.32Å; F5-D37 WeakPolarHBondContact O-CB 3.08Å; Y9-D37 PolarHBondContact O-N 2.75Å; D37-R74 CarbonylContact O-C 3.49Å; D37-R74 WeakPolarHBondContact O-CA 3.46Å; D37-R74 WeakPolarHBondContact O-CB 3.47Å; D37-K75 PolarHBondContact O-N 3.15Å; D37-Y318 PolarHBondContact N-OH 3.27Å; D37-Y318 WeakPolarHBondContact OD2-CE1 3.27Å; D37-Y318 PolarHBondContact OD2-OH 3.47Å; D37-T433 PolarHBondContact OD1-N 2.92Å; D37-T433 PolarHBondContact OD1-OG1 3.27Å; D37-T433 WeakPolarHBondContact OD2-CG2 3.25Å; D37-T433 PolarHBondContact OD2-N 2.99Å
38V98.9Very high98.7Very high0 Ų030 Ų300%014%0.144CC..EExtended strand (participates in β ladder)trans-135.4129.1-168.5-1670000111.4F5 H10 Q11 K75 V77F5-V38 HydrophobicContact CD2-CG2 3.56Å; F5-V38 HydrophobicContact CE2-CG2 3.81Å; H10-V38 VanDerWaalsContact CE1-CG2 3.41Å; H10-V38 WeakPolarHBondContact CE1-CG2 3.46Å; H10-V38 WeakPolarHBondContact ND1-CB 3.29Å; H10-V38 WeakPolarHBondContact ND1-CG2 3.26Å; Q11-V38 PolarHBondContact N-O 3.16Å; V38-K75 WeakPolarHBondContact CA-O 3.22Å; V38-K75 HydrophobicContact CG1-CB 4.47Å; V38-K75 HydrophobicContact CG2-CB 4.23Å; V38-V77 HydrophobicContact CG1-CB 4.07Å; V38-V77 HydrophobicContact CG1-CG2 3.5Å
39I98.9Very high98.7Very high0 Ų031.8 Ų31.80%015%0.151CC..EExtended strand (participates in β ladder)trans-103.8139.3164.4-165.4150.7000109.8Q11 Y16 V22 V25 Y36 L69 K75 M76 V77Q11-I39 WeakPolarHBondContact O-CA 3.25Å; Y16-I39 HydrophobicContact CD2-CD1 4.03Å; Y16-I39 HydrophobicContact CD2-CG1 3.84Å; Y16-I39 HydrophobicContact CE2-CD1 3.8Å; Y16-I39 HydrophobicContact CE2-CG1 3.65Å; V22-I39 HydrophobicContact CB-CD1 4.48Å; V22-I39 HydrophobicContact CG1-CD1 3.9Å; V22-I39 HydrophobicContact CG1-CG1 4.38Å; V22-I39 HydrophobicContact CG1-CG2 3.92Å; V25-I39 HydrophobicContact CB-CD1 3.87Å; V25-I39 HydrophobicContact CG1-CD1 3.63Å; Y36-I39 HydrophobicContact CE2-CB 4.03Å; I39-L69 HydrophobicContact CG2-CD1 3.45Å; I39-L69 VanDerWaalsContact CG2-CD1 3.45Å; I39-L69 HydrophobicContact CG2-CD2 4.18Å; I39-L69 HydrophobicContact CG2-CG 4.47Å; I39-K75 PolarHBondContact N-O 3.05Å; I39-M76 VanDerWaalsContact O-CA 3.29Å; I39-M76 WeakPolarHBondContact O-CA 3.5Å; I39-V77 PolarHBondContact O-N 2.8Å
40W98.9Very high98.6Very high0 Ų034.1 Ų34.10%016%0.16CC..EExtended strand (participates in β ladder)trans-113.4143.6-171.5-67.558.8000111.2H10 Q11 C12 Y16 V77 W153 F211 L213 F285H10-W40 HydrophobicContact CB-CZ2 4.44Å; H10-W40 AromaticContact CG-NE1 3.59Å; H10-W40 AromaticContact ND1-CE2 3.47Å; H10-W40 AromaticContact ND1-CZ2 3.28Å; H10-W40 VanDerWaalsContact ND1-CZ2 3.28Å; H10-W40 WeakPolarHBondContact ND1-CZ2 3.32Å; H10-W40 AromaticContact ND1-NE1 3.1Å; H10-W40 PolarHBondContact ND1-NE1 2.63Å; H10-W40 VanDerWaalsContact ND1-NE1 3.1Å; Q11-W40 VanDerWaalsContact O-CD1 3.27Å; Q11-W40 PolarHBondContact O-N 2.98Å; C12-W40 HydrophobicContact CB-CB 3.53Å; C12-W40 HydrophobicContact CB-CD2 4.34Å; C12-W40 HydrophobicContact CB-CG 3.73Å; C12-W40 WeakPolarHBondContact SG-CB 3.17Å; Y16-W40 WeakPolarHBondContact CD2-O 3.25Å; W40-V77 CarbonylContact C-O 3.57Å; W40-V77 VanDerWaalsContact CA-O 3.3Å; W40-V77 WeakPolarHBondContact CA-O 3.22Å; W40-V77 HydrophobicContact CD2-CB 3.64Å; W40-V77 HydrophobicContact CD2-CG1 3.72Å; W40-V77 HydrophobicContact CD2-CG2 4.32Å; W40-V77 HydrophobicContact CE3-CB 3.89Å; W40-V77 HydrophobicContact CE3-CG1 3.39Å; W40-V77 HydrophobicContact CG-CB 4.03Å; W40-V77 HydrophobicContact CG-CG1 4.5Å; W40-V77 HydrophobicContact CH2-CB 4.38Å; W40-V77 HydrophobicContact CH2-CG1 3.81Å; W40-V77 HydrophobicContact CH2-CG2 4.4Å; W40-V77 HydrophobicContact CZ2-CB 4.2Å; W40-V77 HydrophobicContact CZ2-CG1 4.14Å; W40-V77 HydrophobicContact CZ2-CG2 4.02Å; W40-V77 HydrophobicContact CZ3-CB 4.27Å; W40-V77 HydrophobicContact CZ3-CG1 3.47Å; W40-V77 VanDerWaalsContact CZ3-CG1 3.47Å; W40-W153 HydrophobicContact CE3-CB 4.13Å; W40-W153 HydrophobicContact CE3-CD2 4.13Å; W40-W153 AromaticContact CE3-CE3 3.88Å; W40-W153 HydrophobicContact CE3-CE3 3.88Å; W40-W153 HydrophobicContact CE3-CG 4.25Å; W40-W153 HydrophobicContact CH2-CB 4.5Å; W40-W153 HydrophobicContact CZ3-CB 3.58Å; W40-W153 AromaticContact CZ3-CD2 3.92Å; W40-W153 HydrophobicContact CZ3-CD2 3.92Å; W40-W153 HydrophobicContact CZ3-CE3 4.16Å; W40-W153 AromaticContact CZ3-CG 3.66Å; W40-W153 HydrophobicContact CZ3-CG 3.66Å; W40-F211 AromaticContact CH2-CE1 3.86Å; W40-F211 HydrophobicContact CH2-CE1 3.86Å; W40-F211 HydrophobicContact CH2-CZ 4.05Å; W40-F211 AromaticContact CZ2-CE1 3.72Å; W40-F211 HydrophobicContact CZ2-CE1 3.72Å; W40-F211 AromaticContact CZ2-CZ 3.91Å; W40-F211 HydrophobicContact CZ2-CZ 3.91Å; W40-L213 HydrophobicContact CH2-CB 3.66Å; W40-L213 HydrophobicContact CH2-CD2 3.42Å; W40-L213 VanDerWaalsContact CH2-CD2 3.42Å; W40-L213 HydrophobicContact CH2-CG 4.13Å; W40-L213 HydrophobicContact CZ3-CB 4.12Å; W40-L213 HydrophobicContact CZ3-CD2 3.53Å; W40-L213 HydrophobicContact CZ3-CG 4.45Å; W40-F285 HydrophobicContact CH2-CZ 4.07Å; W40-F285 HydrophobicContact CZ2-CE2 4.31Å; W40-F285 AromaticContact CZ2-CZ 3.97Å; W40-F285 HydrophobicContact CZ2-CZ 3.97Å
41L98.9Very high98.6Very high0 Ų031.6 Ų31.60%015%0.146CC..EExtended strand (participates in β ladder)trans-116.4117174.4-63.4-175.5000109.7V22 H45 W54 F59 M76 V77 V78 I79V22-L41 HydrophobicContact CG2-CD2 3.73Å; L41-H45 HydrophobicContact CB-CB 3.85Å; L41-H45 HydrophobicContact CD1-CB 4.04Å; L41-H45 HydrophobicContact CG-CB 4.46Å; L41-W54 HydrophobicContact CD1-CH2 4.47Å; L41-W54 HydrophobicContact CD1-CZ3 3.74Å; L41-F59 HydrophobicContact CD1-CD1 4.23Å; L41-F59 HydrophobicContact CD1-CE1 3.83Å; L41-F59 HydrophobicContact CD1-CZ 4.27Å; L41-F59 HydrophobicContact CD2-CE1 3.94Å; L41-F59 HydrophobicContact CD2-CZ 3.96Å; L41-M76 HydrophobicContact CD1-CE 4.16Å; L41-M76 HydrophobicContact CD1-CG 4.43Å; L41-M76 HydrophobicContact CD1-SD 3.58Å; L41-M76 VanDerWaalsContact CD1-SD 3.58Å; L41-M76 HydrophobicContact CG-CG 4.44Å; L41-M76 HydrophobicContact CG-SD 4.19Å; L41-V77 PolarHBondContact N-O 2.75Å; L41-V78 HydrophobicContact CB-CG1 3.98Å; L41-V78 HydrophobicContact CD1-CG1 4.17Å; L41-V78 HydrophobicContact CG-CG1 4.5Å; L41-I79 PolarHBondContact O-N 3.21Å; L41-I79 VanDerWaalsContact O-N 3.11Å
42D98.8Very high98.6Very high6 Ų623.5 Ų23.53%0.03212%0.116CC..  trans-79.7-176.1174.8-145.6-42.7000110.9W14 N15 E44 H45 I79 W153 H289W14-D42 HydrophobicContact CB-CB 4.32Å; W14-D42 WeakPolarHBondContact CB-OD2 3.45Å; W14-D42 HydrophobicContact CG-CB 4.41Å; N15-D42 HydrophobicContact CB-CB 4.39Å; N15-D42 WeakPolarHBondContact OD1-CA 3.4Å; N15-D42 WeakPolarHBondContact OD1-CB 3.35Å; N15-D42 PolarHBondContact OD1-N 2.76Å; D42-E44 PolarHBondContact O-N 3.3Å; D42-H45 PolarHBondContact O-N 2.81Å; D42-H45 PolarHBondContact O-ND1 3.16Å; D42-I79 VanDerWaalsContact C-CG2 3.43Å; D42-W153 HydrophobicContact CB-CZ3 4.33Å; D42-H289 IonicContact OD2-CE1 3.55Å; D42-H289 PolarHBondContact OD2-CE1 2.87Å; D42-H289 VanDerWaalsContact OD2-CE1 3.29Å; D42-H289 IonicContact OD2-NE2 2.65Å
43I98.4Very high98.6Very high2 Ų222.6 Ų22.61%0.0111%0.114CC..G310 helixtrans-57.3-23.3-165.558.3172.9000114.4W14 H45 T46 K49 I79 W116W14-I43 HydrophobicContact CZ2-CD1 3.81Å; W14-I43 HydrophobicContact CZ2-CG1 4.44Å; I43-H45 PolarHBondContact O-N 3.04Å; I43-T46 PolarHBondContact O-N 3.11Å; I43-T46 PolarHBondContact O-OG1 2.86Å; I43-K49 HydrophobicContact CB-CG 4.41Å; I43-I79 HydrophobicContact CB-CG2 4.3Å; I43-I79 HydrophobicContact CG2-CD1 3.75Å; I43-I79 HydrophobicContact CG2-CG1 4.3Å; I43-I79 HydrophobicContact CG2-CG2 3.72Å; I43-W116 HydrophobicContact CD1-CB 4.2Å; I43-W116 HydrophobicContact CD1-CD2 3.69Å; I43-W116 HydrophobicContact CD1-CE3 4.08Å; I43-W116 HydrophobicContact CD1-CG 3.75Å
44E98.6Very high98.7Very high58 Ų5816.7 Ų16.727%0.2719%0.088SC..G310 helixtrans-71.6-7.1179.5-47.3-62137.900113.6W14 N15 D42 T46 K49W14-E44 PolarHBondContact NE1-OE1 3.02Å; N15-E44 HydrophobicContact CB-CB 3.74Å; N15-E44 HydrophobicContact CB-CG 3.76Å; N15-E44 WeakPolarHBondContact ND2-CB 3.41Å; D42-E44 PolarHBondContact O-N 3.3Å; E44-T46 VanDerWaalsContact C-N 3.26Å; E44-T46 PolarHBondContact O-N 3.24Å; E44-K49 VanDerWaalsContact OE1-CE 3.22Å; E44-K49 WeakPolarHBondContact OE1-CE 3.38Å; E44-K49 IonicContact OE1-NZ 3.67Å; E44-K49 PolarHBondContact OE1-NZ 2.83Å; E44-K49 IonicContact OE2-NZ 3.89Å; E44-K49 PolarHBondContact OE2-NZ 2.96Å
45H98.8Very high98.7Very high0 Ų018.2 Ų18.20%010%0.096CC..G310 helixtrans-75.1-16.6172.683-83.6000114.1N15 L41 D42 I43 W54 D55 F59N15-H45 PolarHBondContact ND2-N 2.93Å; L41-H45 HydrophobicContact CB-CB 3.85Å; L41-H45 HydrophobicContact CD1-CB 4.04Å; L41-H45 HydrophobicContact CG-CB 4.46Å; D42-H45 PolarHBondContact O-N 2.81Å; D42-H45 PolarHBondContact O-ND1 3.16Å; I43-H45 PolarHBondContact O-N 3.04Å; H45-W54 AromaticContact CD2-CE3 3.88Å; H45-W54 AromaticContact CD2-CZ3 3.99Å; H45-W54 CarbonylContact O-C 3.41Å; H45-W54 WeakPolarHBondContact O-CA 3.41Å; H45-D55 PolarHBondContact O-N 3.42Å; H45-F59 HydrophobicContact CB-CD2 3.99Å; H45-F59 HydrophobicContact CB-CE2 3.75Å; H45-F59 HydrophobicContact CB-CZ 4.21Å
46T98.8Very high98.6Very high3 Ų322.4 Ų22.42%0.01812%0.123CC..SBendtrans-86.6156.2-175.964.60000111.7I43 E44 G48 K49 Y51I43-T46 PolarHBondContact O-N 3.11Å; I43-T46 PolarHBondContact O-OG1 2.86Å; E44-T46 VanDerWaalsContact C-N 3.26Å; E44-T46 PolarHBondContact O-N 3.24Å; T46-G48 PolarHBondContact O-N 2.6Å; T46-K49 WeakPolarHBondContact OG1-CA 3.15Å; T46-K49 PolarHBondContact OG1-N 2.8Å; T46-Y51 HydrophobicContact CG2-CD1 4.41Å
47D98.3Very high98.6Very high69 Ų6926.3 Ų26.337%0.36916%0.155SC..BIsolated β-bridgetrans-74.191.5170.2177.36.9000110.4K49 R50 T53D47-K49 PolarHBondContact O-N 3.19Å; D47-R50 WeakPolarHBondContact O-CB 3.4Å; D47-R50 WeakPolarHBondContact O-CG 3.48Å; D47-R50 PolarHBondContact O-N 2.92Å; D47-R50 PolarHBondContact O-NH1 3.04Å; D47-R50 IonicContact OD1-NH1 3.57Å; D47-T53 WeakPolarHBondContact CB-OG1 3.4Å; D47-T53 PolarHBondContact N-OG1 2.88Å
48G97.4Very high98.6Very high34 Ų3429.2 Ų29.235%0.35117%0.171SC..THydrogen-bonded Turntrans62.839.5176.300000113.4T46 R50T46-G48 PolarHBondContact O-N 2.6Å; G48-R50 PolarHBondContact O-N 2.81Å
49K98.4Very high98.6Very high44 Ų4429.3 Ų29.319%0.19117%0.171CC..THydrogen-bonded Turntrans65.826.1178.1-69.476178.9175.50113.1I43 E44 T46 D47 W116 P117I43-K49 HydrophobicContact CB-CG 4.41Å; E44-K49 VanDerWaalsContact OE1-CE 3.22Å; E44-K49 WeakPolarHBondContact OE1-CE 3.38Å; E44-K49 IonicContact OE1-NZ 3.67Å; E44-K49 PolarHBondContact OE1-NZ 2.83Å; E44-K49 IonicContact OE2-NZ 3.89Å; E44-K49 PolarHBondContact OE2-NZ 2.96Å; T46-K49 WeakPolarHBondContact OG1-CA 3.15Å; T46-K49 PolarHBondContact OG1-N 2.8Å; D47-K49 PolarHBondContact O-N 3.19Å; K49-W116 HydrophobicContact CB-CB 4.43Å; K49-W116 HydrophobicContact CG-CB 4.01Å; K49-P117 HydrophobicContact CB-CB 3.63Å; K49-P117 HydrophobicContact CB-CG 4.33Å
50R98.7Very high98.5Very high49 Ų4933 Ų3319%0.18520%0.195CC..BIsolated β-bridgetrans-88.4104.4165.6-64.3177.1-171.586.8-6.6108.7D47 G48 T53 K85 D87 W90D47-R50 WeakPolarHBondContact O-CB 3.4Å; D47-R50 WeakPolarHBondContact O-CG 3.48Å; D47-R50 PolarHBondContact O-N 2.92Å; D47-R50 PolarHBondContact O-NH1 3.04Å; D47-R50 IonicContact OD1-NH1 3.57Å; G48-R50 PolarHBondContact O-N 2.81Å; R50-T53 HydrophobicContact CB-CG2 3.92Å; R50-T53 WeakPolarHBondContact O-CB 3.43Å; R50-T53 WeakPolarHBondContact O-CG2 3.4Å; R50-T53 PolarHBondContact O-N 2.86Å; R50-T53 PolarHBondContact O-OG1 2.8Å; R50-K85 HydrophobicContact CG-CB 4.29Å; R50-K85 HydrophobicContact CG-CD 3.89Å; R50-D87 IonicContact CZ-OD2 3.67Å; R50-D87 IonicContact NE-OD2 2.85Å; R50-D87 PolarHBondContact NE-OD2 3.25Å; R50-D87 IonicContact NH2-OD2 3.93Å; R50-D87 PolarHBondContact NH2-OD2 3.11Å; R50-W90 HydrophobicContact CB-CD2 4.22Å; R50-W90 HydrophobicContact CB-CE3 4.42Å; R50-W90 HydrophobicContact CB-CH2 3.99Å; R50-W90 HydrophobicContact CB-CZ2 3.74Å; R50-W90 HydrophobicContact CB-CZ3 4.29Å; R50-W90 HydrophobicContact CG-CD2 4.04Å; R50-W90 HydrophobicContact CG-CE3 4.05Å; R50-W90 HydrophobicContact CG-CH2 4.41Å; R50-W90 HydrophobicContact CG-CZ2 4.4Å; R50-W90 HydrophobicContact CG-CZ3 4.21Å
51Y98.4Very high98.5Very high0 Ų039.7 Ų39.70%022%0.224CC..THydrogen-bonded Turntrans-58.6161.2176.8-55.8-71.8000112.1T46 T53 D81 H83 W90T46-Y51 HydrophobicContact CG2-CD1 4.41Å; Y51-T53 PolarHBondContact O-N 3.37Å; Y51-D81 HydrophobicContact CE1-CB 3.86Å; Y51-D81 HydrophobicContact CE2-CB 3.88Å; Y51-D81 VanDerWaalsContact CZ-CB 3.41Å; Y51-D81 VanDerWaalsContact OH-CB 3.29Å; Y51-D81 WeakPolarHBondContact OH-CB 3.26Å; Y51-D81 VanDerWaalsContact OH-CG 3.29Å; Y51-D81 PolarHBondContact OH-OD2 2.75Å; Y51-H83 WeakPolarHBondContact CD2-O 3.33Å; Y51-H83 AromaticContact CE2-CD2 3.94Å; Y51-H83 AromaticContact CE2-NE2 3.95Å; Y51-H83 WeakPolarHBondContact CE2-O 3.45Å; Y51-H83 AromaticContact CZ-NE2 3.85Å; Y51-H83 PolarHBondContact OH-CE1 2.61Å; Y51-H83 PolarHBondContact OH-NE2 3.09Å; Y51-W90 VanDerWaalsContact O-CZ2 3.25Å; Y51-W90 WeakPolarHBondContact O-CZ2 3.43Å
52F98.6Very high98.5Very high23 Ų2340.4 Ų40.410%0.10123%0.229CC..THydrogen-bonded Turntrans61.616.2-172.6-51.2-89000115L92 Y134 C137 Y138 Y143F52-L92 HydrophobicContact CD2-CD1 4.42Å; F52-L92 HydrophobicContact CD2-CD2 3.58Å; F52-L92 HydrophobicContact CE2-CD2 4.09Å; F52-Y134 HydrophobicContact CE2-CD2 4.42Å; F52-Y134 AromaticContact CE2-CE2 3.76Å; F52-Y134 HydrophobicContact CE2-CE2 3.76Å; F52-Y134 HydrophobicContact CZ-CD2 4.24Å; F52-Y134 AromaticContact CZ-CE2 3.71Å; F52-Y134 HydrophobicContact CZ-CE2 3.71Å; F52-Y134 AromaticContact CZ-CZ 3.99Å; F52-C137 HydrophobicContact CD1-CB 4.15Å; F52-C137 HydrophobicContact CE1-CB 3.66Å; F52-C137 HydrophobicContact CE2-CB 4.39Å; F52-C137 HydrophobicContact CZ-CB 3.79Å; F52-Y138 HydrophobicContact CD1-CE1 4.41Å; F52-Y138 AromaticContact CE1-CD1 3.73Å; F52-Y138 HydrophobicContact CE1-CD1 3.73Å; F52-Y138 HydrophobicContact CE1-CD2 4.24Å; F52-Y138 AromaticContact CE1-CE1 3.48Å; F52-Y138 HydrophobicContact CE1-CE1 3.48Å; F52-Y138 VanDerWaalsContact CE1-CE1 3.48Å; F52-Y138 HydrophobicContact CE1-CE2 4.05Å; F52-Y138 HydrophobicContact CE1-CG 4.09Å; F52-Y138 AromaticContact CE1-CZ 3.66Å; F52-Y138 AromaticContact CZ-CE1 4Å; F52-Y138 HydrophobicContact CZ-CE1 4Å; F52-Y138 HydrophobicContact CZ-CE2 4.02Å; F52-Y138 AromaticContact CZ-CZ 3.7Å; F52-Y143 VanDerWaalsContact CA-CE2 3.45Å; F52-Y143 HydrophobicContact CB-CD2 4.1Å; F52-Y143 HydrophobicContact CB-CE2 4.3Å; F52-Y143 AromaticContact CD1-CD1 3.99Å; F52-Y143 HydrophobicContact CD1-CD1 3.99Å; F52-Y143 HydrophobicContact CD1-CD2 4.35Å; F52-Y143 HydrophobicContact CD1-CE1 4.39Å; F52-Y143 AromaticContact CD1-CG 3.96Å; F52-Y143 HydrophobicContact CD1-CG 3.96Å
53T98.7Very high98.5Very high27 Ų2742.7 Ų42.717%0.16624%0.243CC..  trans-123.2173.6173.576.60000110.6D47 R50 Y51D47-T53 WeakPolarHBondContact CB-OG1 3.4Å; D47-T53 PolarHBondContact N-OG1 2.88Å; R50-T53 HydrophobicContact CB-CG2 3.92Å; R50-T53 WeakPolarHBondContact O-CB 3.43Å; R50-T53 WeakPolarHBondContact O-CG2 3.4Å; R50-T53 PolarHBondContact O-N 2.86Å; R50-T53 PolarHBondContact O-OG1 2.8Å; Y51-T53 PolarHBondContact O-N 3.37Å
54W98.8Very high98.5Very high29 Ų2944.8 Ų44.811%0.1126%0.26CS..  trans-132.5136.3175.5-60.486.4000107.9L41 H45 P56 F59 P62 M76 V78 Y143 K144 L150L41-W54 HydrophobicContact CD1-CH2 4.47Å; L41-W54 HydrophobicContact CD1-CZ3 3.74Å; H45-W54 AromaticContact CD2-CE3 3.88Å; H45-W54 AromaticContact CD2-CZ3 3.99Å; H45-W54 CarbonylContact O-C 3.41Å; H45-W54 WeakPolarHBondContact O-CA 3.41Å; W54-P56 WeakPolarHBondContact O-CD 3.42Å; W54-F59 HydrophobicContact CB-CB 4.36Å; W54-F59 HydrophobicContact CE3-CB 3.99Å; W54-F59 HydrophobicContact CE3-CG 4.33Å; W54-P62 HydrophobicContact CB-CG 4.38Å; W54-P62 HydrophobicContact CD2-CB 3.38Å; W54-P62 HydrophobicContact CD2-CG 3.78Å; W54-P62 HydrophobicContact CE3-CB 3.53Å; W54-P62 HydrophobicContact CE3-CG 4.35Å; W54-P62 HydrophobicContact CG-CB 3.93Å; W54-P62 HydrophobicContact CG-CG 3.76Å; W54-P62 HydrophobicContact CH2-CB 3.91Å; W54-P62 HydrophobicContact CZ2-CB 3.8Å; W54-P62 HydrophobicContact CZ3-CB 3.77Å; W54-M76 HydrophobicContact CH2-SD 4.04Å; W54-M76 HydrophobicContact CZ3-SD 4.35Å; W54-V78 HydrophobicContact CH2-CG1 3.78Å; W54-V78 HydrophobicContact CZ3-CG1 4.18Å; W54-Y143 HydrophobicContact CZ2-CE2 4.46Å; W54-Y143 AromaticContact NE1-CE2 3.61Å; W54-K144 PolarHBondContact NE1-O 3.31Å; W54-K144 VanDerWaalsContact NE1-O 3.13Å; W54-L150 HydrophobicContact CH2-CD1 4.24Å; W54-L150 HydrophobicContact CH2-CD2 4.3Å; W54-L150 HydrophobicContact CZ2-CD2 3.91Å
55D98.7Very high98.5Very high35 Ų3542 Ų4219%0.18725%0.248CC..  trans-60.9120.6172.8-177.2-68.4000109H45 A57 L58 F59H45-D55 PolarHBondContact O-N 3.42Å; D55-A57 VanDerWaalsContact C-N 3.26Å; D55-A57 PolarHBondContact O-N 3.37Å; D55-A57 WeakPolarHBondContact OD1-CA 3.38Å; D55-A57 WeakPolarHBondContact OD1-CB 3.17Å; D55-A57 PolarHBondContact OD1-N 2.84Å; D55-L58 HydrophobicContact CB-CB 4.13Å; D55-L58 HydrophobicContact CB-CD1 4.35Å; D55-L58 HydrophobicContact CB-CG 4.35Å; D55-L58 PolarHBondContact OD1-N 2.99Å; D55-F59 CarbonylContact O-C 3.54Å; D55-F59 VanDerWaalsContact O-C 3.31Å; D55-F59 WeakPolarHBondContact O-CA 3.47Å; D55-F59 PolarHBondContact O-N 3.33Å
56P98.1Very high98.5Very high91 Ų9142 Ų4259%0.59125%0.248SC*.THydrogen-bonded Turntrans-73.2-16.1-172.429.3-35.6000113.6W54 P60W54-P56 WeakPolarHBondContact O-CD 3.42Å; P56-P60 WeakPolarHBondContact O-CB 3.22Å
57A98.4Very high98.5Very high82 Ų8246.5 Ų46.568%0.67827%0.268SS*.THydrogen-bonded Turntrans-88.8-43.2176.200000111.4D55D55-A57 VanDerWaalsContact C-N 3.26Å; D55-A57 PolarHBondContact O-N 3.37Å; D55-A57 WeakPolarHBondContact OD1-CA 3.38Å; D55-A57 WeakPolarHBondContact OD1-CB 3.17Å; D55-A57 PolarHBondContact OD1-N 2.84Å
58L98.4Very high98.6Very high62 Ų6246 Ų4633%0.32526%0.263SS..THydrogen-bonded Turntrans-85.6-35.8-176-55.6177.6000112.7D18 E19 D55 P60D18-L58 WeakPolarHBondContact CA-O 3.42Å; D18-L58 HydrophobicContact CB-CB 4.2Å; D18-L58 HydrophobicContact CB-CD2 4.33Å; D18-L58 WeakPolarHBondContact CB-O 3.46Å; E19-L58 PolarHBondContact N-O 3.16Å; E19-L58 VanDerWaalsContact N-O 3.13Å; D55-L58 HydrophobicContact CB-CB 4.13Å; D55-L58 HydrophobicContact CB-CD1 4.35Å; D55-L58 HydrophobicContact CB-CG 4.35Å; D55-L58 PolarHBondContact OD1-N 2.99Å; L58-P60 VanDerWaalsContact C-CD 3.42Å
59F98.7Very high98.6Very high2 Ų244.4 Ų44.41%0.00925%0.247CC..  trans-13060.2-177.3-60.1-83.7000112.2E19 V22 L41 H45 W54 D55 K61 P62 L65E19-F59 HydrophobicContact CG-CD1 4.01Å; V22-F59 HydrophobicContact CG2-CE1 4.25Å; L41-F59 HydrophobicContact CD1-CD1 4.23Å; L41-F59 HydrophobicContact CD1-CE1 3.83Å; L41-F59 HydrophobicContact CD1-CZ 4.27Å; L41-F59 HydrophobicContact CD2-CE1 3.94Å; L41-F59 HydrophobicContact CD2-CZ 3.96Å; H45-F59 HydrophobicContact CB-CD2 3.99Å; H45-F59 HydrophobicContact CB-CE2 3.75Å; H45-F59 HydrophobicContact CB-CZ 4.21Å; W54-F59 HydrophobicContact CB-CB 4.36Å; W54-F59 HydrophobicContact CE3-CB 3.99Å; W54-F59 HydrophobicContact CE3-CG 4.33Å; D55-F59 CarbonylContact O-C 3.54Å; D55-F59 VanDerWaalsContact O-C 3.31Å; D55-F59 WeakPolarHBondContact O-CA 3.47Å; D55-F59 PolarHBondContact O-N 3.33Å; F59-K61 VanDerWaalsContact C-N 3.29Å; F59-K61 PolarHBondContact O-N 3.12Å; F59-P62 WeakPolarHBondContact O-CD 3.26Å; F59-L65 HydrophobicContact CD1-CD2 4.05Å; F59-L65 HydrophobicContact CE1-CD2 4.22Å
60P98.5Very high98.6Very high77 Ų7746 Ų4650%0.526%0.255SS..SBendtrans-68.4-19.8-176.826.5-35.5000115P56 L58P56-P60 WeakPolarHBondContact O-CB 3.22Å; L58-P60 VanDerWaalsContact C-CD 3.42Å
61K98.6Very high98.6Very high140 Ų14051.9 Ų51.961%0.60928%0.282SS*.  trans-136.358.6-174-59.2-179.8-177.8175.90111.1E19 F59 V63 A64 L65E19-K61 WeakPolarHBondContact OE1-CA 3.34Å; E19-K61 WeakPolarHBondContact OE1-CB 3.26Å; E19-K61 PolarHBondContact OE1-N 3.11Å; F59-K61 VanDerWaalsContact C-N 3.29Å; F59-K61 PolarHBondContact O-N 3.12Å; K61-V63 VanDerWaalsContact C-N 3.28Å; K61-V63 PolarHBondContact O-N 2.95Å; K61-A64 HydrophobicContact CB-CB 4.04Å; K61-A64 WeakPolarHBondContact O-CB 3.44Å; K61-A64 PolarHBondContact O-N 2.87Å; K61-L65 PolarHBondContact O-N 3.42Å; K61-L65 VanDerWaalsContact O-N 3.08Å
62P98.5Very high98.6Very high15 Ų1554.7 Ų54.710%0.09729%0.294CS..Hα-helixtrans-61.9-33.4-172.126.8-35.3000113.2W54 F59 L65 Q66W54-P62 HydrophobicContact CB-CG 4.38Å; W54-P62 HydrophobicContact CD2-CB 3.38Å; W54-P62 HydrophobicContact CD2-CG 3.78Å; W54-P62 HydrophobicContact CE3-CB 3.53Å; W54-P62 HydrophobicContact CE3-CG 4.35Å; W54-P62 HydrophobicContact CG-CB 3.93Å; W54-P62 HydrophobicContact CG-CG 3.76Å; W54-P62 HydrophobicContact CH2-CB 3.91Å; W54-P62 HydrophobicContact CZ2-CB 3.8Å; W54-P62 HydrophobicContact CZ3-CB 3.77Å; F59-P62 WeakPolarHBondContact O-CD 3.26Å; P62-L65 PolarHBondContact O-N 2.81Å; P62-Q66 WeakPolarHBondContact O-CG 3.25Å; P62-Q66 PolarHBondContact O-N 3.12Å; P62-Q66 PolarHBondContact O-NE2 2.89Å; P62-Q66 VanDerWaalsContact O-NE2 3.16Å
63V98.8Very high98.6Very high55 Ų5558.6 Ų58.633%0.33331%0.311SS..Hα-helixtrans-61.7-45.9173.6178.40000111.3K61 L65 Q66 Q67 T147K61-V63 VanDerWaalsContact C-N 3.28Å; K61-V63 PolarHBondContact O-N 2.95Å; V63-L65 VanDerWaalsContact C-N 3.3Å; V63-L65 PolarHBondContact O-N 3.33Å; V63-Q66 PolarHBondContact O-N 2.92Å; V63-Q67 HydrophobicContact CG1-CG 4.43Å; V63-Q67 WeakPolarHBondContact O-CB 3.46Å; V63-Q67 VanDerWaalsContact O-CG 3.28Å; V63-Q67 WeakPolarHBondContact O-CG 3.39Å; V63-Q67 PolarHBondContact O-N 2.83Å; V63-T147 HydrophobicContact CB-CG2 4.35Å; V63-T147 HydrophobicContact CG1-CG2 3.86Å; V63-T147 HydrophobicContact CG2-CG2 4.39Å
64A98.8Very high98.6Very high46 Ų4657.3 Ų57.338%0.3830%0.303SS..Hα-helixtrans-67.9-33.9-179.200000111.6K61 H68K61-A64 HydrophobicContact CB-CB 4.04Å; K61-A64 WeakPolarHBondContact O-CB 3.44Å; K61-A64 PolarHBondContact O-N 2.87Å; A64-H68 WeakPolarHBondContact O-CB 3.28Å; A64-H68 PolarHBondContact O-N 2.85Å
65L98.9Very high98.6Very high0 Ų058 Ų580%031%0.307CS..Hα-helixtrans-65.1-46.3173.3-179.163.7000111.7E19 V22 K23 F59 K61 P62 V63 Q67 H68 L69 M76E19-L65 HydrophobicContact CB-CD1 4.27Å; E19-L65 HydrophobicContact CB-CD2 4.24Å; E19-L65 HydrophobicContact CG-CD2 4.05Å; V22-L65 HydrophobicContact CB-CD1 4.08Å; V22-L65 HydrophobicContact CB-CD2 4.24Å; V22-L65 HydrophobicContact CG1-CD1 3.79Å; V22-L65 HydrophobicContact CG1-CD2 4.11Å; V22-L65 HydrophobicContact CG1-CG 4.26Å; V22-L65 HydrophobicContact CG2-CD2 4.31Å; K23-L65 HydrophobicContact CD-CD1 4.35Å; K23-L65 HydrophobicContact CG-CD1 3.86Å; F59-L65 HydrophobicContact CD1-CD2 4.05Å; F59-L65 HydrophobicContact CE1-CD2 4.22Å; K61-L65 PolarHBondContact O-N 3.42Å; K61-L65 VanDerWaalsContact O-N 3.08Å; P62-L65 PolarHBondContact O-N 2.81Å; V63-L65 VanDerWaalsContact C-N 3.3Å; V63-L65 PolarHBondContact O-N 3.33Å; L65-Q67 PolarHBondContact O-N 3.21Å; L65-H68 VanDerWaalsContact O-CB 3.3Å; L65-H68 WeakPolarHBondContact O-CB 3.46Å; L65-H68 PolarHBondContact O-N 3.08Å; L65-L69 PolarHBondContact O-N 3.41Å; L65-M76 HydrophobicContact CD2-CE 3.55Å; L65-M76 HydrophobicContact CG-CE 3.67Å
66Q98.8Very high98.6Very high0 Ų056.3 Ų56.30%030%0.298CS..Hα-helixtrans-62.8-43175.8-73.8163.555.700112P62 V63 H68 L69 E70 M76 G145 T147P62-Q66 WeakPolarHBondContact O-CG 3.25Å; P62-Q66 PolarHBondContact O-N 3.12Å; P62-Q66 PolarHBondContact O-NE2 2.89Å; P62-Q66 VanDerWaalsContact O-NE2 3.16Å; V63-Q66 PolarHBondContact O-N 2.92Å; Q66-H68 VanDerWaalsContact C-N 3.26Å; Q66-H68 PolarHBondContact O-N 3.22Å; Q66-L69 PolarHBondContact O-N 3.42Å; Q66-E70 WeakPolarHBondContact O-CB 3.46Å; Q66-E70 PolarHBondContact O-N 2.99Å; Q66-M76 HydrophobicContact CG-CB 4.35Å; Q66-M76 HydrophobicContact CG-CE 4.1Å; Q66-M76 HydrophobicContact CG-SD 3.9Å; Q66-G145 PolarHBondContact NE2-O 3.17Å; Q66-T147 HydrophobicContact CB-CG2 4.24Å; Q66-T147 PolarHBondContact OE1-OG1 3.49Å
67Q98.8Very high98.6Very high96 Ų9652 Ų5245%0.44927%0.27SS..Hα-helixtrans-63.2-31.1174.8-72.9173-8.400112.7V63 L65 K71V63-Q67 HydrophobicContact CG1-CG 4.43Å; V63-Q67 WeakPolarHBondContact O-CB 3.46Å; V63-Q67 VanDerWaalsContact O-CG 3.28Å; V63-Q67 WeakPolarHBondContact O-CG 3.39Å; V63-Q67 PolarHBondContact O-N 2.83Å; L65-Q67 PolarHBondContact O-N 3.21Å; Q67-K71 WeakPolarHBondContact O-CG 3.14Å; Q67-K71 PolarHBondContact O-N 2.73Å; Q67-K71 VanDerWaalsContact O-N 3.16Å
68H98.8Very high98.6Very high58 Ų5848.1 Ų48.127%0.26924%0.238SC..Hα-helixtrans-61.7-46.4173.3175.392.1000111.3D26 A64 L65 Q66D26-H68 IonicContact OD2-CD2 3.37Å; D26-H68 IonicContact OD2-NE2 3.27Å; D26-H68 PolarHBondContact OD2-NE2 3Å; A64-H68 WeakPolarHBondContact O-CB 3.28Å; A64-H68 PolarHBondContact O-N 2.85Å; L65-H68 VanDerWaalsContact O-CB 3.3Å; L65-H68 WeakPolarHBondContact O-CB 3.46Å; L65-H68 PolarHBondContact O-N 3.08Å; Q66-H68 VanDerWaalsContact C-N 3.26Å; Q66-H68 PolarHBondContact O-N 3.22Å
69L98.8Very high98.7Very high1 Ų145.2 Ų45.21%0.00522%0.223CC..Hα-helixtrans-68.1-41.2176.8-60.9171.5000111.7D26 I39 L65 Q66 K71 K72 K73 R74 M76D26-L69 HydrophobicContact CB-CD2 3.91Å; I39-L69 HydrophobicContact CG2-CD1 3.45Å; I39-L69 VanDerWaalsContact CG2-CD1 3.45Å; I39-L69 HydrophobicContact CG2-CD2 4.18Å; I39-L69 HydrophobicContact CG2-CG 4.47Å; L65-L69 PolarHBondContact O-N 3.41Å; Q66-L69 PolarHBondContact O-N 3.42Å; L69-K71 VanDerWaalsContact C-N 3.26Å; L69-K71 PolarHBondContact O-N 3.07Å; L69-K72 CarbonylContact O-C 3.43Å; L69-K72 WeakPolarHBondContact O-CA 3.26Å; L69-K72 PolarHBondContact O-N 3.37Å; L69-K73 PolarHBondContact O-N 2.87Å; L69-R74 HydrophobicContact CB-CB 4.11Å; L69-R74 PolarHBondContact O-N 2.88Å; L69-R74 VanDerWaalsContact O-N 3.07Å; L69-M76 HydrophobicContact CD1-CB 4.13Å; L69-M76 HydrophobicContact CD1-CE 3.67Å
70E98.2Very high98.6Very high79 Ų7945.3 Ų45.337%0.36922%0.224SC..Hα-helixtrans-63.1-30.2-178.8-175177.5-160.600112.9Q66 K72 K73Q66-E70 WeakPolarHBondContact O-CB 3.46Å; Q66-E70 PolarHBondContact O-N 2.99Å; E70-K72 PolarHBondContact O-N 2.9Å; E70-K73 WeakPolarHBondContact O-CA 3.45Å; E70-K73 PolarHBondContact O-N 3.37Å
71K98.2Very high98.7Very high172 Ų17241.6 Ų41.675%0.74820%0.2SC*.THydrogen-bonded Turntrans-56.3-32171.6-76.2169.6-175.5179.70112.3Q67 L69Q67-K71 WeakPolarHBondContact O-CG 3.14Å; Q67-K71 PolarHBondContact O-N 2.73Å; Q67-K71 VanDerWaalsContact O-N 3.16Å; L69-K71 VanDerWaalsContact C-N 3.26Å; L69-K71 PolarHBondContact O-N 3.07Å
72K97.8Very high98.6Very high59 Ų5935 Ų3526%0.25717%0.171SC..THydrogen-bonded Turntrans-97.713.7174.4-57.7-179.6-173.8171.30112.6D26 D30 L69 E70 R74 C432D26-K72 IonicContact OD2-NZ 2.81Å; D26-K72 PolarHBondContact OD2-NZ 3.14Å; D30-K72 WeakPolarHBondContact OD2-CD 3.16Å; D30-K72 VanDerWaalsContact OD2-CE 3.27Å; D30-K72 WeakPolarHBondContact OD2-CE 3.24Å; D30-K72 IonicContact OD2-NZ 2.73Å; D30-K72 PolarHBondContact OD2-NZ 2.88Å; L69-K72 CarbonylContact O-C 3.43Å; L69-K72 WeakPolarHBondContact O-CA 3.26Å; L69-K72 PolarHBondContact O-N 3.37Å; E70-K72 PolarHBondContact O-N 2.9Å; K72-R74 PolarHBondContact O-N 3.44Å; K72-R74 VanDerWaalsContact O-N 3.12Å; K72-C432 PolarHBondContact O-SG 2.82Å; K72-C432 VanDerWaalsContact O-SG 3.4Å
73K98.4Very high98.7Very high105 Ų10534.2 Ų34.246%0.45717%0.166SC..THydrogen-bonded Turntrans60.415.4-178-50.8-59.3178.8-174.80115L69 E70 K75 A434L69-K73 PolarHBondContact O-N 2.87Å; E70-K73 WeakPolarHBondContact O-CA 3.45Å; E70-K73 PolarHBondContact O-N 3.37Å; K73-K75 PolarHBondContact O-NZ 3.35Å; K73-A434 HydrophobicContact CB-CB 3.64Å; K73-A434 HydrophobicContact CG-CB 4.02Å
74R98.8Very high98.7Very high0 Ų031.7 Ų31.70%015%0.15CC..  trans-81.4161.5173.5-69.8170.5174.5147.75.3111.5D26 D30 Y36 D37 L69 K72 T431 C432D26-R74 PolarHBondContact O-NH1 3.37Å; D26-R74 WeakPolarHBondContact OD1-CD 3.48Å; D26-R74 IonicContact OD1-CZ 2.83Å; D26-R74 IonicContact OD1-NE 3.72Å; D26-R74 IonicContact OD1-NH1 2.81Å; D26-R74 PolarHBondContact OD1-NH1 3.48Å; D30-R74 IonicContact OD1-CZ 3.69Å; D30-R74 VanDerWaalsContact OD1-CZ 3.25Å; D30-R74 IonicContact OD1-NH1 3.23Å; D30-R74 PolarHBondContact OD1-NH1 3.38Å; D30-R74 IonicContact OD1-NH2 3.48Å; D30-R74 PolarHBondContact OD1-NH2 2.65Å; D30-R74 IonicContact OD2-NH1 3Å; D30-R74 PolarHBondContact OD2-NH1 3.32Å; Y36-R74 VanDerWaalsContact CD1-CZ 3.44Å; Y36-R74 VanDerWaalsContact CZ-CD 3.48Å; Y36-R74 PolarHBondContact O-NE 3.21Å; Y36-R74 VanDerWaalsContact O-NE 3.15Å; D37-R74 CarbonylContact O-C 3.49Å; D37-R74 WeakPolarHBondContact O-CA 3.46Å; D37-R74 WeakPolarHBondContact O-CB 3.47Å; L69-R74 HydrophobicContact CB-CB 4.11Å; L69-R74 PolarHBondContact O-N 2.88Å; L69-R74 VanDerWaalsContact O-N 3.07Å; K72-R74 PolarHBondContact O-N 3.44Å; K72-R74 VanDerWaalsContact O-N 3.12Å; R74-T431 PolarHBondContact NH2-O 2.96Å; R74-T431 VanDerWaalsContact NH2-O 3.13Å; R74-C432 HydrophobicContact CG-CB 4.32Å
75K98.9Very high98.6Very high42 Ų4231.7 Ų31.718%0.18314%0.142CC..EExtended strand (participates in β ladder)trans-120166.7-176.9-51.8-58.8-176.3-85.50110.6F5 D37 V38 I39 K73 F151F5-K75 HydrophobicContact CB-CG 4.45Å; F5-K75 HydrophobicContact CD1-CG 4.19Å; F5-K75 HydrophobicContact CD2-CB 4.19Å; F5-K75 HydrophobicContact CD2-CG 3.67Å; F5-K75 HydrophobicContact CE1-CG 4.39Å; F5-K75 HydrophobicContact CE2-CB 4.14Å; F5-K75 HydrophobicContact CE2-CG 3.91Å; F5-K75 HydrophobicContact CG-CG 3.84Å; F5-K75 HydrophobicContact CZ-CG 4.27Å; D37-K75 PolarHBondContact O-N 3.15Å; V38-K75 WeakPolarHBondContact CA-O 3.22Å; V38-K75 HydrophobicContact CG1-CB 4.47Å; V38-K75 HydrophobicContact CG2-CB 4.23Å; I39-K75 PolarHBondContact N-O 3.05Å; K73-K75 PolarHBondContact O-NZ 3.35Å; K75-F151 HydrophobicContact CB-CD2 4.22Å; K75-F151 HydrophobicContact CB-CE2 4.34Å; K75-F151 HydrophobicContact CD-CE2 4Å; K75-F151 HydrophobicContact CG-CD2 4.48Å; K75-F151 HydrophobicContact CG-CE2 4.12Å
76M98.9Very high98.6Very high0 Ų033 Ų330%015%0.15CC..EExtended strand (participates in β ladder)trans-121.5144171.7-176.2179.7-72.100109.6I39 L41 W54 L65 Q66 L69 V78 S149 L150 F151I39-M76 VanDerWaalsContact O-CA 3.29Å; I39-M76 WeakPolarHBondContact O-CA 3.5Å; L41-M76 HydrophobicContact CD1-CE 4.16Å; L41-M76 HydrophobicContact CD1-CG 4.43Å; L41-M76 HydrophobicContact CD1-SD 3.58Å; L41-M76 VanDerWaalsContact CD1-SD 3.58Å; L41-M76 HydrophobicContact CG-CG 4.44Å; L41-M76 HydrophobicContact CG-SD 4.19Å; W54-M76 HydrophobicContact CH2-SD 4.04Å; W54-M76 HydrophobicContact CZ3-SD 4.35Å; L65-M76 HydrophobicContact CD2-CE 3.55Å; L65-M76 HydrophobicContact CG-CE 3.67Å; Q66-M76 HydrophobicContact CG-CB 4.35Å; Q66-M76 HydrophobicContact CG-CE 4.1Å; Q66-M76 HydrophobicContact CG-SD 3.9Å; L69-M76 HydrophobicContact CD1-CB 4.13Å; L69-M76 HydrophobicContact CD1-CE 3.67Å; M76-V78 HydrophobicContact SD-CG1 4.47Å; M76-S149 PolarHBondContact N-O 2.94Å; M76-L150 HydrophobicContact CB-CD1 3.77Å; M76-L150 HydrophobicContact CG-CD1 3.63Å; M76-L150 CarbonylContact O-C 3.5Å; M76-L150 WeakPolarHBondContact O-CA 3.25Å; M76-L150 HydrophobicContact SD-CD1 3.74Å; M76-F151 PolarHBondContact O-N 2.79Å
77V99Very high98.6Very high0 Ų034.1 Ų34.10%016%0.156CC..EExtended strand (participates in β ladder)trans-119.4137.6167.3170.80000109.2V38 I39 W40 L41 F151 W153 F211V38-V77 HydrophobicContact CG1-CB 4.07Å; V38-V77 HydrophobicContact CG1-CG2 3.5Å; I39-V77 PolarHBondContact O-N 2.8Å; W40-V77 CarbonylContact C-O 3.57Å; W40-V77 VanDerWaalsContact CA-O 3.3Å; W40-V77 WeakPolarHBondContact CA-O 3.22Å; W40-V77 HydrophobicContact CD2-CB 3.64Å; W40-V77 HydrophobicContact CD2-CG1 3.72Å; W40-V77 HydrophobicContact CD2-CG2 4.32Å; W40-V77 HydrophobicContact CE3-CB 3.89Å; W40-V77 HydrophobicContact CE3-CG1 3.39Å; W40-V77 HydrophobicContact CG-CB 4.03Å; W40-V77 HydrophobicContact CG-CG1 4.5Å; W40-V77 HydrophobicContact CH2-CB 4.38Å; W40-V77 HydrophobicContact CH2-CG1 3.81Å; W40-V77 HydrophobicContact CH2-CG2 4.4Å; W40-V77 HydrophobicContact CZ2-CB 4.2Å; W40-V77 HydrophobicContact CZ2-CG1 4.14Å; W40-V77 HydrophobicContact CZ2-CG2 4.02Å; W40-V77 HydrophobicContact CZ3-CB 4.27Å; W40-V77 HydrophobicContact CZ3-CG1 3.47Å; W40-V77 VanDerWaalsContact CZ3-CG1 3.47Å; L41-V77 PolarHBondContact N-O 2.75Å; V77-F151 WeakPolarHBondContact CA-O 3.48Å; V77-F151 HydrophobicContact CG2-CB 3.8Å; V77-W153 HydrophobicContact CG1-CB 3.7Å; V77-F211 HydrophobicContact CG2-CD1 3.93Å; V77-F211 HydrophobicContact CG2-CE1 3.76Å
78V98.9Very high98.5Very high1 Ų133.1 Ų33.11%0.00616%0.158CC..EExtended strand (participates in β ladder)trans-119.6143.1174.3-75.30000110.3L41 W54 M76 Y143 L150 F151 V152 W153L41-V78 HydrophobicContact CB-CG1 3.98Å; L41-V78 HydrophobicContact CD1-CG1 4.17Å; L41-V78 HydrophobicContact CG-CG1 4.5Å; W54-V78 HydrophobicContact CH2-CG1 3.78Å; W54-V78 HydrophobicContact CZ3-CG1 4.18Å; M76-V78 HydrophobicContact SD-CG1 4.47Å; V78-Y143 HydrophobicContact CG2-CE1 4.3Å; V78-Y143 WeakPolarHBondContact CG2-OH 3.49Å; V78-L150 HydrophobicContact CB-CD1 4.38Å; V78-L150 HydrophobicContact CG1-CD1 3.77Å; V78-L150 HydrophobicContact CG2-CD1 3.87Å; V78-L150 HydrophobicContact CG2-CD2 3.87Å; V78-L150 HydrophobicContact CG2-CG 3.9Å; V78-F151 PolarHBondContact N-O 2.97Å; V78-V152 WeakPolarHBondContact O-CA 3.43Å; V78-W153 PolarHBondContact O-N 3.33Å
79I98.9Very high98.4Very high1 Ų136.8 Ų36.81%0.00518%0.179CC..EExtended strand (participates in β ladder)trans-70.8142.9172.3-168.8160000111.9L41 D42 I43 D81 W153 D155L41-I79 PolarHBondContact O-N 3.21Å; L41-I79 VanDerWaalsContact O-N 3.11Å; D42-I79 VanDerWaalsContact C-CG2 3.43Å; I43-I79 HydrophobicContact CB-CG2 4.3Å; I43-I79 HydrophobicContact CG2-CD1 3.75Å; I43-I79 HydrophobicContact CG2-CG1 4.3Å; I43-I79 HydrophobicContact CG2-CG2 3.72Å; I79-D81 WeakPolarHBondContact CG1-OD1 3.33Å; I79-W153 CarbonylContact C-O 3.53Å; I79-W153 WeakPolarHBondContact CA-O 3.34Å; I79-W153 HydrophobicContact CB-CD2 4.09Å; I79-W153 HydrophobicContact CB-CE3 3.59Å; I79-W153 HydrophobicContact CB-CZ3 4.04Å; I79-W153 HydrophobicContact CD1-CD2 3.92Å; I79-W153 HydrophobicContact CD1-CE3 3.75Å; I79-W153 HydrophobicContact CD1-CH2 3.62Å; I79-W153 HydrophobicContact CD1-CZ2 3.82Å; I79-W153 HydrophobicContact CD1-CZ3 3.6Å; I79-W153 HydrophobicContact CG1-CD2 3.98Å; I79-W153 HydrophobicContact CG1-CE3 3.89Å; I79-W153 HydrophobicContact CG1-CG 4.43Å; I79-W153 HydrophobicContact CG1-CZ3 4.23Å; I79-D155 HydrophobicContact CD1-CB 3.51Å; I79-D155 HydrophobicContact CG1-CB 4.1Å
80S98.4Very high98.3Very high4 Ų437.7 Ų37.73%0.02818%0.183CC..  trans-150.4103176.4-171.70000109.7Y134 Y138 W153 N154 Q192S80-Y134 PolarHBondContact OG-OH 3.45Å; S80-Y138 PolarHBondContact OG-OH 2.55Å; S80-W153 PolarHBondContact N-O 2.82Å; S80-N154 PolarHBondContact O-ND2 3.49Å; S80-Q192 PolarHBondContact O-NE2 3.33Å; S80-Q192 VanDerWaalsContact O-NE2 3.13Å
81D98.8Very high98.3Very high0 Ų037.7 Ų37.70%019%0.189CC..  trans-97.4166.2-173.3-54.5-21.9000111.4Y51 I79 H83 D155 M156Y51-D81 HydrophobicContact CE1-CB 3.86Å; Y51-D81 HydrophobicContact CE2-CB 3.88Å; Y51-D81 VanDerWaalsContact CZ-CB 3.41Å; Y51-D81 VanDerWaalsContact OH-CB 3.29Å; Y51-D81 WeakPolarHBondContact OH-CB 3.26Å; Y51-D81 VanDerWaalsContact OH-CG 3.29Å; Y51-D81 PolarHBondContact OH-OD2 2.75Å; I79-D81 WeakPolarHBondContact CG1-OD1 3.33Å; D81-H83 WeakPolarHBondContact CB-CE1 3.46Å; D81-H83 IonicContact OD2-CE1 3.59Å; D81-H83 PolarHBondContact OD2-CE1 3.23Å; D81-D155 WeakPolarHBondContact OD1-CA 3.2Å; D81-D155 VanDerWaalsContact OD1-CB 3.32Å; D81-D155 WeakPolarHBondContact OD1-CB 3.49Å; D81-D155 PolarHBondContact OD1-N 2.93Å; D81-D155 VanDerWaalsContact OD1-N 3.17Å; D81-M156 HydrophobicContact CB-CB 4.19Å; D81-M156 HydrophobicContact CB-CG 4.48Å
82P98.3Very high98.3Very high0 Ų030.3 Ų30.30%016%0.158CC..SBendtrans-84.4-8.2-17330.9-34.5000114.8L123 F125 D155 N157 Y188P82-L123 PolarHBondContact O-N 3.24Å; P82-F125 HydrophobicContact CB-CD2 4.36Å; P82-F125 HydrophobicContact CB-CE2 3.52Å; P82-F125 HydrophobicContact CB-CZ 4.33Å; P82-D155 VanDerWaalsContact CD-O 3.27Å; P82-D155 WeakPolarHBondContact CD-O 3.46Å; P82-N157 HydrophobicContact CG-CB 3.98Å; P82-Y188 HydrophobicContact CB-CE1 3.79Å; P82-Y188 HydrophobicContact CG-CE1 3.87Å
83H98.8Very high98.4Very high0 Ų028.2 Ų28.20%015%0.149CC..EExtended strand (participates in β ladder)trans-89.5132.2178.956.4-92.9000110.4Y51 D81 C115 W116 P117 Y122Y51-H83 WeakPolarHBondContact CD2-O 3.33Å; Y51-H83 AromaticContact CE2-CD2 3.94Å; Y51-H83 AromaticContact CE2-NE2 3.95Å; Y51-H83 WeakPolarHBondContact CE2-O 3.45Å; Y51-H83 AromaticContact CZ-NE2 3.85Å; Y51-H83 PolarHBondContact OH-CE1 2.61Å; Y51-H83 PolarHBondContact OH-NE2 3.09Å; D81-H83 WeakPolarHBondContact CB-CE1 3.46Å; D81-H83 IonicContact OD2-CE1 3.59Å; D81-H83 PolarHBondContact OD2-CE1 3.23Å; H83-C115 HydrophobicContact CB-CB 4.26Å; H83-C115 PolarHBondContact CE1-SG 3.36Å; H83-C115 PolarHBondContact NE2-SG 2.97Å; H83-C115 VanDerWaalsContact NE2-SG 3.42Å; H83-W116 AromaticContact CE1-CD1 3.69Å; H83-W116 AromaticContact NE2-CD1 3.61Å; H83-P117 VanDerWaalsContact CD2-CD 3.43Å; H83-P117 WeakPolarHBondContact CD2-CD 3.33Å; H83-Y122 HydrophobicContact CB-CD1 4.02Å; H83-Y122 HydrophobicContact CB-CE1 3.61Å; H83-Y122 HydrophobicContact CB-CE2 4.43Å
84I98.8Very high98.4Very high1 Ų127.3 Ų27.31%0.00514%0.142CC..EExtended strand (participates in β ladder)trans-113.9121.3-174-55.9-57.7000107.5V86 W90 L92 Y93 F102 S120 S121 L123I84-V86 PolarHBondContact O-N 3.07Å; I84-W90 HydrophobicContact CB-CZ3 4.36Å; I84-W90 HydrophobicContact CD1-CH2 4.5Å; I84-W90 HydrophobicContact CG2-CE3 4.06Å; I84-W90 HydrophobicContact CG2-CH2 3.83Å; I84-W90 HydrophobicContact CG2-CZ3 3.28Å; I84-L92 HydrophobicContact CD1-CD2 4.3Å; I84-Y93 HydrophobicContact CG2-CD2 3.94Å; I84-F102 HydrophobicContact CB-CE1 3.84Å; I84-F102 HydrophobicContact CB-CZ 4.14Å; I84-F102 HydrophobicContact CG1-CE1 3.94Å; I84-F102 HydrophobicContact CG2-CE1 4.29Å; I84-F102 HydrophobicContact CG2-CZ 4.09Å; I84-S120 CarbonylContact O-C 3.55Å; I84-S120 WeakPolarHBondContact O-CA 3.27Å; I84-S121 PolarHBondContact N-O 3.22Å; I84-S121 PolarHBondContact O-N 3.27Å; I84-L123 HydrophobicContact CD1-CD1 4.06Å; I84-L123 HydrophobicContact CD1-CG 4.36Å; I84-L123 HydrophobicContact CG1-CD1 4.07Å; I84-L123 HydrophobicContact CG1-CD2 4.13Å; I84-L123 HydrophobicContact CG1-CG 3.81Å
85K98.7Very high98.3Very high47 Ų4730.7 Ų30.720%0.20416%0.158CC..EExtended strand (participates in β ladder)trans-48.4128.5174.4-175.2172.6-17860.40110.8R50 D87 W90 Y93 P117R50-K85 HydrophobicContact CG-CB 4.29Å; R50-K85 HydrophobicContact CG-CD 3.89Å; K85-D87 HydrophobicContact CD-CB 4.48Å; K85-D87 HydrophobicContact CG-CB 4.23Å; K85-D87 PolarHBondContact O-N 2.83Å; K85-W90 HydrophobicContact CB-CE3 4.23Å; K85-W90 HydrophobicContact CB-CZ3 3.98Å; K85-Y93 VanDerWaalsContact O-CD2 3.29Å; K85-Y93 WeakPolarHBondContact O-CD2 3.4Å; K85-P117 HydrophobicContact CB-CB 3.67Å; K85-P117 HydrophobicContact CB-CG 3.96Å; K85-P117 HydrophobicContact CD-CB 3.95Å; K85-P117 HydrophobicContact CG-CB 3.82Å; K85-P117 HydrophobicContact CG-CG 4.49Å; K85-P117 PolarHBondContact NZ-O 2.79Å
86V98.5Very high98.3Very high27 Ų2728.7 Ų28.716%0.16415%0.149CC..  trans-71100.6170.7177.50000108.1I84 Y93 E119I84-V86 PolarHBondContact O-N 3.07Å; V86-Y93 HydrophobicContact CB-CE2 4.33Å; V86-Y93 HydrophobicContact CG1-CE2 4.42Å; V86-Y93 HydrophobicContact CG2-CE2 4.09Å; V86-E119 HydrophobicContact CB-CB 4.38Å; V86-E119 HydrophobicContact CB-CG 4.12Å; V86-E119 HydrophobicContact CG2-CG 3.94Å; V86-E119 PolarHBondContact N-O 2.86Å
87D97.8Very high98.3Very high24 Ų2433 Ų3313%0.12817%0.166CC..  trans-147.699-178.3-176.9-12.8000109.2R50 K85 D89 W90 Y93R50-D87 IonicContact CZ-OD2 3.67Å; R50-D87 IonicContact NE-OD2 2.85Å; R50-D87 PolarHBondContact NE-OD2 3.25Å; R50-D87 IonicContact NH2-OD2 3.93Å; R50-D87 PolarHBondContact NH2-OD2 3.11Å; K85-D87 HydrophobicContact CD-CB 4.48Å; K85-D87 HydrophobicContact CG-CB 4.23Å; K85-D87 PolarHBondContact O-N 2.83Å; D87-D89 PolarHBondContact O-N 3.46Å; D87-D89 VanDerWaalsContact O-N 3.1Å; D87-D89 WeakPolarHBondContact OD1-CB 3.34Å; D87-D89 PolarHBondContact OD1-N 2.94Å; D87-W90 HydrophobicContact CB-CB 3.8Å; D87-W90 WeakPolarHBondContact O-CB 3.41Å; D87-W90 PolarHBondContact O-N 3.48Å; D87-W90 PolarHBondContact OD1-N 2.77Å; D87-Y93 WeakPolarHBondContact O-CD1 3.39Å
88P96.4Very high98.3Very high74 Ų7438.2 Ų38.248%0.48119%0.194SC..THydrogen-bonded Turntrans-59.1-20.8179.8-24.835.1000114.2R94P88-R94 WeakPolarHBondContact O-CD 3.38Å; P88-R94 WeakPolarHBondContact O-CG 3.31Å; P88-R94 PolarHBondContact O-NH1 3.45Å
89D97.2Very high98.2Very high136 Ų13640.3 Ų40.373%0.72722%0.215SC*.THydrogen-bonded Turntrans-88.7-15.8180-67.3-36.4000112.5D87 P91 R94D87-D89 PolarHBondContact O-N 3.46Å; D87-D89 VanDerWaalsContact O-N 3.1Å; D87-D89 WeakPolarHBondContact OD1-CB 3.34Å; D87-D89 PolarHBondContact OD1-N 2.94Å; D89-P91 WeakPolarHBondContact O-CD 3.49Å; D89-R94 PolarHBondContact O-NH1 3.22Å
90W97.9Very high98.2Very high20 Ų2042.8 Ų42.88%0.07624%0.241CC..SBendtrans-80.1119.9176.9-178.236.8000112.3R50 Y51 I84 K85 D87 L92 Y93 R94R50-W90 HydrophobicContact CB-CD2 4.22Å; R50-W90 HydrophobicContact CB-CE3 4.42Å; R50-W90 HydrophobicContact CB-CH2 3.99Å; R50-W90 HydrophobicContact CB-CZ2 3.74Å; R50-W90 HydrophobicContact CB-CZ3 4.29Å; R50-W90 HydrophobicContact CG-CD2 4.04Å; R50-W90 HydrophobicContact CG-CE3 4.05Å; R50-W90 HydrophobicContact CG-CH2 4.41Å; R50-W90 HydrophobicContact CG-CZ2 4.4Å; R50-W90 HydrophobicContact CG-CZ3 4.21Å; Y51-W90 VanDerWaalsContact O-CZ2 3.25Å; Y51-W90 WeakPolarHBondContact O-CZ2 3.43Å; I84-W90 HydrophobicContact CB-CZ3 4.36Å; I84-W90 HydrophobicContact CD1-CH2 4.5Å; I84-W90 HydrophobicContact CG2-CE3 4.06Å; I84-W90 HydrophobicContact CG2-CH2 3.83Å; I84-W90 HydrophobicContact CG2-CZ3 3.28Å; K85-W90 HydrophobicContact CB-CE3 4.23Å; K85-W90 HydrophobicContact CB-CZ3 3.98Å; D87-W90 HydrophobicContact CB-CB 3.8Å; D87-W90 WeakPolarHBondContact O-CB 3.41Å; D87-W90 PolarHBondContact O-N 3.48Å; D87-W90 PolarHBondContact OD1-N 2.77Å; W90-L92 VanDerWaalsContact C-N 3.33Å; W90-L92 HydrophobicContact CD2-CB 4.09Å; W90-L92 VanDerWaalsContact CE2-CB 3.49Å; W90-L92 HydrophobicContact CH2-CB 4.25Å; W90-L92 HydrophobicContact CH2-CD2 3.57Å; W90-L92 HydrophobicContact CH2-CG 4.48Å; W90-L92 HydrophobicContact CZ2-CB 3.56Å; W90-L92 HydrophobicContact CZ2-CD2 3.32Å; W90-L92 HydrophobicContact CZ2-CG 4.07Å; W90-L92 PolarHBondContact O-N 2.79Å; W90-Y93 PolarHBondContact O-N 3.26Å; W90-R94 PolarHBondContact O-N 2.99Å; W90-R94 VanDerWaalsContact O-N 3.15Å
91P97.7Very high98.2Very high78 Ų7843.6 Ų43.651%0.50625%0.245SC..Hα-helixtrans-57.5-37.5-176.3-2835000115.2D89 R94 E95D89-P91 WeakPolarHBondContact O-CD 3.49Å; P91-R94 PolarHBondContact O-N 3.49Å; P91-E95 WeakPolarHBondContact O-CB 3.26Å; P91-E95 PolarHBondContact O-N 2.79Å
92L97.9Very high98.2Very high18 Ų1844 Ų449%0.09425%0.246CC..Hα-helixtrans-65.8-42.7-179.7-168.881.7000111.2F52 I84 W90 E95 A96 W133F52-L92 HydrophobicContact CD2-CD1 4.42Å; F52-L92 HydrophobicContact CD2-CD2 3.58Å; F52-L92 HydrophobicContact CE2-CD2 4.09Å; I84-L92 HydrophobicContact CD1-CD2 4.3Å; W90-L92 VanDerWaalsContact C-N 3.33Å; W90-L92 HydrophobicContact CD2-CB 4.09Å; W90-L92 VanDerWaalsContact CE2-CB 3.49Å; W90-L92 HydrophobicContact CH2-CB 4.25Å; W90-L92 HydrophobicContact CH2-CD2 3.57Å; W90-L92 HydrophobicContact CH2-CG 4.48Å; W90-L92 HydrophobicContact CZ2-CB 3.56Å; W90-L92 HydrophobicContact CZ2-CD2 3.32Å; W90-L92 HydrophobicContact CZ2-CG 4.07Å; W90-L92 PolarHBondContact O-N 2.79Å; L92-E95 PolarHBondContact O-N 2.86Å; L92-A96 WeakPolarHBondContact O-CB 3.4Å; L92-A96 PolarHBondContact O-N 2.91Å; L92-W133 HydrophobicContact CD1-CH2 4.18Å; L92-W133 HydrophobicContact CD1-CZ2 3.93Å; L92-W133 HydrophobicContact CG-CH2 4.27Å; L92-W133 HydrophobicContact CG-CZ2 4.32Å
93Y98.6Very high98.3Very high15 Ų1544 Ų446%0.05925%0.246CC..Hα-helixtrans-62.7-43.9176.6175-97.6000111.3I84 K85 V86 D87 W90 A96 R97 F102I84-Y93 HydrophobicContact CG2-CD2 3.94Å; K85-Y93 VanDerWaalsContact O-CD2 3.29Å; K85-Y93 WeakPolarHBondContact O-CD2 3.4Å; V86-Y93 HydrophobicContact CB-CE2 4.33Å; V86-Y93 HydrophobicContact CG1-CE2 4.42Å; V86-Y93 HydrophobicContact CG2-CE2 4.09Å; D87-Y93 WeakPolarHBondContact O-CD1 3.39Å; W90-Y93 PolarHBondContact O-N 3.26Å; Y93-A96 PolarHBondContact O-N 3.02Å; Y93-R97 VanDerWaalsContact O-CB 3.3Å; Y93-R97 WeakPolarHBondContact O-CB 3.4Å; Y93-R97 PolarHBondContact O-N 3.4Å; Y93-F102 AromaticContact CD2-CE2 3.99Å; Y93-F102 HydrophobicContact CD2-CE2 3.99Å; Y93-F102 AromaticContact CD2-CZ 3.67Å; Y93-F102 HydrophobicContact CD2-CZ 3.67Å; Y93-F102 AromaticContact CE2-CE2 3.76Å; Y93-F102 HydrophobicContact CE2-CE2 3.76Å; Y93-F102 AromaticContact CE2-CZ 3.79Å; Y93-F102 HydrophobicContact CE2-CZ 3.79Å
94R98.4Very high98.3Very high85 Ų8548.6 Ų48.632%0.32127%0.266SS..Hα-helixtrans-60.6-46.1174.3-70.7-164.6-63.3-88.9-2.9112.2P88 D89 W90 P91 A96 R97 D98P88-R94 WeakPolarHBondContact O-CD 3.38Å; P88-R94 WeakPolarHBondContact O-CG 3.31Å; P88-R94 PolarHBondContact O-NH1 3.45Å; D89-R94 PolarHBondContact O-NH1 3.22Å; W90-R94 PolarHBondContact O-N 2.99Å; W90-R94 VanDerWaalsContact O-N 3.15Å; P91-R94 PolarHBondContact O-N 3.49Å; R94-A96 VanDerWaalsContact C-N 3.32Å; R94-A96 PolarHBondContact O-N 3.41Å; R94-R97 PolarHBondContact O-N 3.42Å; R94-D98 VanDerWaalsContact O-CB 3.26Å; R94-D98 WeakPolarHBondContact O-CB 3.28Å; R94-D98 PolarHBondContact O-N 3.05Å
95E98.3Very high98.2Very high71 Ų7150.6 Ų50.633%0.33228%0.277SS..Hα-helixtrans-60.7-42.5178.4-163.7177.5155.100111P91 L92 G99 W133 K142P91-E95 WeakPolarHBondContact O-CB 3.26Å; P91-E95 PolarHBondContact O-N 2.79Å; L92-E95 PolarHBondContact O-N 2.86Å; E95-G99 PolarHBondContact O-N 2.71Å; E95-W133 HydrophobicContact CB-CZ2 4.3Å; E95-W133 VanDerWaalsContact CD-NE1 3.29Å; E95-W133 HydrophobicContact CG-CZ2 4.37Å; E95-W133 PolarHBondContact OE1-NE1 3.38Å; E95-K142 IonicContact OE1-NZ 3.54Å; E95-K142 PolarHBondContact OE1-NZ 2.97Å; E95-K142 IonicContact OE2-NZ 3.25Å; E95-K142 PolarHBondContact OE2-NZ 3.27Å
96A98.6Very high98.1Very high0 Ų056.1 Ų56.10%030%0.296CS..Hα-helixtrans-63.3-47.3174.800000112.7L92 Y93 R94 G100 H101 F102 L123 W133L92-A96 WeakPolarHBondContact O-CB 3.4Å; L92-A96 PolarHBondContact O-N 2.91Å; Y93-A96 PolarHBondContact O-N 3.02Å; R94-A96 VanDerWaalsContact C-N 3.32Å; R94-A96 PolarHBondContact O-N 3.41Å; A96-G100 PolarHBondContact O-N 2.95Å; A96-H101 HydrophobicContact CB-CB 4.38Å; A96-H101 WeakPolarHBondContact O-CB 3.34Å; A96-H101 PolarHBondContact O-N 3.12Å; A96-F102 HydrophobicContact CB-CD2 4.47Å; A96-F102 HydrophobicContact CB-CE1 3.95Å; A96-F102 HydrophobicContact CB-CE2 3.68Å; A96-F102 HydrophobicContact CB-CZ 3.37Å; A96-L123 HydrophobicContact CB-CD2 4.04Å; A96-W133 HydrophobicContact CB-CH2 3.66Å; A96-W133 HydrophobicContact CB-CZ2 4.06Å; A96-W133 HydrophobicContact CB-CZ3 4.3Å
97R98.6Very high98.1Very high90 Ų9061.5 Ų61.534%0.3432%0.32SS..Hα-helixtrans-63.6-53-179.8-175.4-166.266.5-166.2-5111.4Y93 R94 G99 G100 F102 I110Y93-R97 VanDerWaalsContact O-CB 3.3Å; Y93-R97 WeakPolarHBondContact O-CB 3.4Å; Y93-R97 PolarHBondContact O-N 3.4Å; R94-R97 PolarHBondContact O-N 3.42Å; R97-G99 VanDerWaalsContact C-N 3.27Å; R97-G99 PolarHBondContact O-N 3.32Å; R97-G100 PolarHBondContact O-N 3.49Å; R97-F102 HydrophobicContact CB-CD2 4.38Å; R97-F102 HydrophobicContact CB-CE2 3.94Å; R97-I110 HydrophobicContact CG-CD1 3.73Å
98D98.4Very high98Very high111 Ų11162.1 Ų62.159%0.59433%0.332SS*.Hα-helixtrans-71.7-27.2-173.9-60.2-13.6000111R94 G100R94-D98 VanDerWaalsContact O-CB 3.26Å; R94-D98 WeakPolarHBondContact O-CB 3.28Å; R94-D98 PolarHBondContact O-N 3.05Å; D98-G100 VanDerWaalsContact C-N 3.3Å
99G98.2Very high98.1Very high44 Ų4464.6 Ų64.645%0.45434%0.337SS..THydrogen-bonded Turntrans-79.5-3.9170.500000114.9E95 R97 H101E95-G99 PolarHBondContact O-N 2.71Å; R97-G99 VanDerWaalsContact C-N 3.27Å; R97-G99 PolarHBondContact O-N 3.32Å; G99-H101 VanDerWaalsContact C-N 3.33Å; G99-H101 PolarHBondContact O-N 2.85Å
100G98.3Very high98.2Very high54 Ų5460.7 Ų60.756%0.55732%0.316SS*.THydrogen-bonded Turntrans67.231.1-179.500000113.9A96 R97 D98 F102A96-G100 PolarHBondContact O-N 2.95Å; R97-G100 PolarHBondContact O-N 3.49Å; D98-G100 VanDerWaalsContact C-N 3.3Å; G100-F102 PolarHBondContact O-N 2.8Å
101H98.8Very high98.2Very high21 Ų2160.8 Ų60.810%0.09732%0.317CS..  trans-85-1.3-172-67.2-50.8000115A96 G99 L123 D124 T130 W133A96-H101 HydrophobicContact CB-CB 4.38Å; A96-H101 WeakPolarHBondContact O-CB 3.34Å; A96-H101 PolarHBondContact O-N 3.12Å; G99-H101 VanDerWaalsContact C-N 3.33Å; G99-H101 PolarHBondContact O-N 2.85Å; H101-L123 HydrophobicContact CB-CD2 4.1Å; H101-L123 CarbonylContact O-C 3.58Å; H101-L123 WeakPolarHBondContact O-CA 3.11Å; H101-D124 PolarHBondContact O-N 2.85Å; H101-T130 HydrophobicContact CB-CG2 3.99Å; H101-T130 WeakPolarHBondContact ND1-CA 3.21Å; H101-T130 PolarHBondContact ND1-OG1 3.37Å; H101-W133 HydrophobicContact CB-CE3 4.34Å; H101-W133 HydrophobicContact CB-CZ3 4.48Å; H101-W133 AromaticContact CD2-CD2 3.59Å; H101-W133 AromaticContact CD2-CE3 3.86Å; H101-W133 AromaticContact CD2-CG 3.76Å; H101-W133 AromaticContact NE2-CD1 3.79Å; H101-W133 AromaticContact NE2-CD2 3.8Å; H101-W133 AromaticContact NE2-CG 3.43Å
102F98.9Very high98.2Very high7 Ų761.6 Ų61.63%0.03131%0.314CS..BIsolated β-bridgetrans-94.5147.9-178.2-65.4-58.5000113.3I84 Y93 A96 R97 G100 I110 Y122 L123I84-F102 HydrophobicContact CB-CE1 3.84Å; I84-F102 HydrophobicContact CB-CZ 4.14Å; I84-F102 HydrophobicContact CG1-CE1 3.94Å; I84-F102 HydrophobicContact CG2-CE1 4.29Å; I84-F102 HydrophobicContact CG2-CZ 4.09Å; Y93-F102 AromaticContact CD2-CE2 3.99Å; Y93-F102 HydrophobicContact CD2-CE2 3.99Å; Y93-F102 AromaticContact CD2-CZ 3.67Å; Y93-F102 HydrophobicContact CD2-CZ 3.67Å; Y93-F102 AromaticContact CE2-CE2 3.76Å; Y93-F102 HydrophobicContact CE2-CE2 3.76Å; Y93-F102 AromaticContact CE2-CZ 3.79Å; Y93-F102 HydrophobicContact CE2-CZ 3.79Å; A96-F102 HydrophobicContact CB-CD2 4.47Å; A96-F102 HydrophobicContact CB-CE1 3.95Å; A96-F102 HydrophobicContact CB-CE2 3.68Å; A96-F102 HydrophobicContact CB-CZ 3.37Å; R97-F102 HydrophobicContact CB-CD2 4.38Å; R97-F102 HydrophobicContact CB-CE2 3.94Å; G100-F102 PolarHBondContact O-N 2.8Å; F102-I110 HydrophobicContact CB-CG1 4.31Å; F102-I110 HydrophobicContact CB-CG2 3.74Å; F102-I110 HydrophobicContact CD2-CD1 4.04Å; F102-I110 HydrophobicContact CD2-CG1 4.44Å; F102-I110 HydrophobicContact CD2-CG2 4Å; F102-I110 HydrophobicContact CG-CG2 4.02Å; F102-Y122 WeakPolarHBondContact CA-O 3.3Å; F102-Y122 WeakPolarHBondContact CD1-O 3.32Å; F102-L123 HydrophobicContact CD1-CD2 3.94Å; F102-L123 HydrophobicContact CE1-CD2 3.74Å; F102-L123 HydrophobicContact CE1-CG 4.42Å
103V98.8Very high98.3Very high0 Ų060.9 Ų60.90%031%0.311CS..  trans-58.5147.5166179.10000109.1F111 Y122 D124 M169 A173 Y188V103-F111 HydrophobicContact CB-CB 4.45Å; V103-F111 HydrophobicContact CG1-CB 4.35Å; V103-F111 WeakPolarHBondContact O-CB 3.49Å; V103-F111 PolarHBondContact O-N 3.38Å; V103-Y122 PolarHBondContact N-O 3.48Å; V103-D124 HydrophobicContact CG2-CB 3.75Å; V103-M169 HydrophobicContact CB-CE 4.26Å; V103-M169 HydrophobicContact CG1-CE 4.1Å; V103-M169 HydrophobicContact CG1-SD 4.19Å; V103-M169 HydrophobicContact CG2-CE 4.38Å; V103-A173 HydrophobicContact CG1-CB 4Å; V103-Y188 HydrophobicContact CG2-CE2 4.43Å
104K98.8Very high98.3Very high98 Ų9862.6 Ų62.643%0.42632%0.323SS..BIsolated β-bridgetrans-109156.4179.2-65179.3178.3-174.60112Q109 A173 V174K104-Q109 CarbonylContact C-O 3.55Å; K104-Q109 WeakPolarHBondContact CA-O 3.03Å; K104-Q109 VanDerWaalsContact CB-O 3.24Å; K104-Q109 WeakPolarHBondContact CB-O 3.28Å; K104-A173 CarbonylContact O-C 3.46Å; K104-A173 WeakPolarHBondContact O-CA 3.35Å; K104-V174 HydrophobicContact CB-CB 4.45Å; K104-V174 PolarHBondContact N-O 3.05Å; K104-V174 PolarHBondContact O-N 2.93Å
105D98.3Very high98.3Very high43 Ų4358.8 Ų58.823%0.2331%0.309CS..  trans-78.9179.9162.864.920.1000111.2E107 G108 Q109D105-E107 PolarHBondContact O-N 3.29Å; D105-E107 WeakPolarHBondContact OD1-CA 3.36Å; D105-E107 PolarHBondContact OD1-N 2.86Å; D105-E107 VanDerWaalsContact OD1-N 3.12Å; D105-G108 PolarHBondContact O-N 3.12Å; D105-G108 PolarHBondContact OD1-N 3.5Å; D105-Q109 PolarHBondContact N-O 3.33Å; D105-Q109 PolarHBondContact OD1-N 2.96Å; D105-Q109 WeakPolarHBondContact OD2-CB 3.37Å
106R96.8Very high98.3Very high162 Ų16259.4 Ų59.461%0.61131%0.308SS*.THydrogen-bonded Turntrans-67.1-26.1-178-171.3174.6-176.6151.74.9112.8G108 D172R106-G108 PolarHBondContact O-N 3.06Å; R106-D172 IonicContact NH1-OD2 3.81Å
107E97.2Very high98.2Very high141 Ų14160 Ų6066%0.65931%0.312SS*.THydrogen-bonded Turntrans-80.9-2.6175.3-64.866.6-143.800112.3D105 Q109D105-E107 PolarHBondContact O-N 3.29Å; D105-E107 WeakPolarHBondContact OD1-CA 3.36Å; D105-E107 PolarHBondContact OD1-N 2.86Å; D105-E107 VanDerWaalsContact OD1-N 3.12Å; E107-Q109 VanDerWaalsContact C-N 3.35Å
108G97.1Very high98.2Very high37 Ų3757.2 Ų57.238%0.38131%0.312SS..SBendtrans80.611177.500000114.5D105 R106D105-G108 PolarHBondContact O-N 3.12Å; D105-G108 PolarHBondContact OD1-N 3.5Å; R106-G108 PolarHBondContact O-N 3.06Å
109Q98.3Very high98.2Very high126 Ų12656.6 Ų56.659%0.58931%0.305SS*.SBendtrans-82.3163.2171.7-53.7-53.9-65.400110.5K104 D105 E107 F111K104-Q109 CarbonylContact C-O 3.55Å; K104-Q109 WeakPolarHBondContact CA-O 3.03Å; K104-Q109 VanDerWaalsContact CB-O 3.24Å; K104-Q109 WeakPolarHBondContact CB-O 3.28Å; D105-Q109 PolarHBondContact N-O 3.33Å; D105-Q109 PolarHBondContact OD1-N 2.96Å; D105-Q109 WeakPolarHBondContact OD2-CB 3.37Å; E107-Q109 VanDerWaalsContact C-N 3.35Å; Q109-F111 PolarHBondContact O-N 3.06Å
110I98.6Very high98.2Very high54 Ų5454.5 Ų54.528%0.27728%0.284SS..BIsolated β-bridgetrans-63.4125.6174.2-69.3167.4000108.5R97 F102 Q112 S121R97-I110 HydrophobicContact CG-CD1 3.73Å; F102-I110 HydrophobicContact CB-CG1 4.31Å; F102-I110 HydrophobicContact CB-CG2 3.74Å; F102-I110 HydrophobicContact CD2-CD1 4.04Å; F102-I110 HydrophobicContact CD2-CG1 4.44Å; F102-I110 HydrophobicContact CD2-CG2 4Å; F102-I110 HydrophobicContact CG-CG2 4.02Å; I110-Q112 PolarHBondContact O-N 2.79Å; I110-S121 WeakPolarHBondContact CG2-OG 3.25Å
111F98.6Very high98.3Very high22 Ų2251.9 Ų51.910%0.09626%0.257CS..PPolyproline II helixtrans-64.3132.4175.4175.9-95.7000110.4V103 Q109 S121 Y122 V161 M169 P170V103-F111 HydrophobicContact CB-CB 4.45Å; V103-F111 HydrophobicContact CG1-CB 4.35Å; V103-F111 WeakPolarHBondContact O-CB 3.49Å; V103-F111 PolarHBondContact O-N 3.38Å; Q109-F111 PolarHBondContact O-N 3.06Å; F111-S121 PolarHBondContact O-OG 3.29Å; F111-Y122 AromaticContact CD1-CD2 3.75Å; F111-Y122 HydrophobicContact CD1-CD2 3.75Å; F111-Y122 HydrophobicContact CD1-CE2 4.41Å; F111-Y122 HydrophobicContact CD1-CG 4.49Å; F111-Y122 AromaticContact CE1-CD2 3.7Å; F111-Y122 HydrophobicContact CE1-CD2 3.7Å; F111-Y122 AromaticContact CE1-CE2 3.93Å; F111-Y122 HydrophobicContact CE1-CE2 3.93Å; F111-V161 HydrophobicContact CE1-CG1 4.33Å; F111-V161 HydrophobicContact CZ-CG1 4.24Å; F111-M169 HydrophobicContact CB-SD 4.41Å; F111-M169 HydrophobicContact CD1-CE 3.44Å; F111-M169 VanDerWaalsContact CD1-CE 3.44Å; F111-M169 HydrophobicContact CD1-SD 3.22Å; F111-M169 WeakPolarHBondContact CD1-SD 3.46Å; F111-M169 HydrophobicContact CD2-SD 3.79Å; F111-M169 HydrophobicContact CE1-CE 3.59Å; F111-M169 HydrophobicContact CE1-SD 3.21Å; F111-M169 WeakPolarHBondContact CE1-SD 3.46Å; F111-M169 HydrophobicContact CE2-SD 3.8Å; F111-M169 HydrophobicContact CG-CE 4.19Å; F111-M169 HydrophobicContact CG-SD 3.51Å; F111-M169 VanDerWaalsContact CG-SD 3.51Å; F111-M169 HydrophobicContact CZ-CE 4.44Å; F111-M169 HydrophobicContact CZ-SD 3.51Å; F111-M169 VanDerWaalsContact CZ-SD 3.51Å; F111-P170 VanDerWaalsContact CE2-CD 3.47Å; F111-P170 HydrophobicContact CE2-CG 3.76Å; F111-P170 HydrophobicContact CZ-CG 4.23Å
112Q97.9Very high98.3Very high95 Ų9550.9 Ų50.944%0.44425%0.253SS..EExtended strand (participates in β ladder)trans-124.3134.2175.5-64.1-174.3-41.700110.3I110 E119 S120I110-Q112 PolarHBondContact O-N 2.79Å; Q112-E119 PolarHBondContact NE2-OE1 2.77Å; Q112-E119 PolarHBondContact OE1-OE1 3.31Å; Q112-S120 WeakPolarHBondContact CA-O 3.34Å
113G98Very high98.3Very high3 Ų350.6 Ų50.63%0.03125%0.251CS..EExtended strand (participates in β ladder)trans-137.2-168.8172.700000110.9S120G113-S120 PolarHBondContact N-O 3.22Å; G113-S120 PolarHBondContact O-N 2.93Å
114T98.6Very high98.3Very high50 Ų5051 Ų5131%0.30725%0.253SS..EExtended strand (participates in β ladder)trans-115.2139.4172.359.60000111.6G118 F162 N163T114-G118 WeakPolarHBondContact CA-O 3.36Å; T114-F162 WeakPolarHBondContact O-CB 3.22Å; T114-F162 PolarHBondContact O-N 2.95Å; T114-N163 PolarHBondContact N-OD1 2.9Å; T114-N163 WeakPolarHBondContact OG1-CB 3.34Å; T114-N163 VanDerWaalsContact OG1-CG 3.23Å; T114-N163 PolarHBondContact OG1-N 2.93Å; T114-N163 PolarHBondContact OG1-OD1 2.93Å
115C98.7Very high98.3Very high5 Ų546.3 Ų46.33%0.03423%0.233CC..EExtended strand (participates in β ladder)trans-148.6-156.3170.1-153.40000109.6H83 P117 G118 F162H83-C115 HydrophobicContact CB-CB 4.26Å; H83-C115 PolarHBondContact CE1-SG 3.36Å; H83-C115 PolarHBondContact NE2-SG 2.97Å; H83-C115 VanDerWaalsContact NE2-SG 3.42Å; C115-P117 VanDerWaalsContact C-CD 3.49Å; C115-G118 PolarHBondContact N-O 3.49Å; C115-G118 WeakPolarHBondContact O-CA 3.37Å; C115-G118 PolarHBondContact O-N 3.49Å; C115-F162 VanDerWaalsContact CA-CD2 3.47Å
116W98.3Very high98.2Very high84 Ų8445.2 Ų45.232%0.31823%0.229SC..THydrogen-bonded Turntrans-50.5-43.7-176.6-61.9130.1000115.9W14 I43 K49 H83 G118 M156 F162W14-W116 HydrophobicContact CH2-CE3 4.5Å; W14-W116 AromaticContact CH2-CH2 3.43Å; W14-W116 HydrophobicContact CH2-CH2 3.43Å; W14-W116 VanDerWaalsContact CH2-CH2 3.43Å; W14-W116 HydrophobicContact CH2-CZ2 4.06Å; W14-W116 AromaticContact CH2-CZ3 3.68Å; W14-W116 HydrophobicContact CH2-CZ3 3.68Å; W14-W116 HydrophobicContact CZ2-CH2 4.33Å; W14-W116 HydrophobicContact CZ2-CZ3 4.27Å; W14-W116 AromaticContact CZ3-CH2 3.98Å; W14-W116 HydrophobicContact CZ3-CH2 3.98Å; W14-W116 HydrophobicContact CZ3-CZ2 4.38Å; I43-W116 HydrophobicContact CD1-CB 4.2Å; I43-W116 HydrophobicContact CD1-CD2 3.69Å; I43-W116 HydrophobicContact CD1-CE3 4.08Å; I43-W116 HydrophobicContact CD1-CG 3.75Å; K49-W116 HydrophobicContact CB-CB 4.43Å; K49-W116 HydrophobicContact CG-CB 4.01Å; H83-W116 AromaticContact CE1-CD1 3.69Å; H83-W116 AromaticContact NE2-CD1 3.61Å; W116-G118 PolarHBondContact O-N 2.67Å; W116-M156 HydrophobicContact CZ2-CE 4.04Å; W116-M156 HydrophobicContact CZ2-SD 4.47Å; W116-F162 HydrophobicContact CD2-CE2 4.13Å; W116-F162 AromaticContact CD2-CZ 3.67Å; W116-F162 HydrophobicContact CD2-CZ 3.67Å; W116-F162 AromaticContact CE2-CZ 3.8Å; W116-F162 AromaticContact CE3-CE2 3.84Å; W116-F162 HydrophobicContact CE3-CE2 3.84Å; W116-F162 AromaticContact CE3-CZ 3.69Å; W116-F162 HydrophobicContact CE3-CZ 3.69Å; W116-F162 HydrophobicContact CG-CZ 4.31Å; W116-F162 AromaticContact CH2-CZ 3.92Å; W116-F162 HydrophobicContact CH2-CZ 3.92Å; W116-F162 AromaticContact CZ2-CZ 3.94Å; W116-F162 HydrophobicContact CZ2-CZ 3.94Å; W116-F162 HydrophobicContact CZ3-CE2 4.1Å; W116-F162 AromaticContact CZ3-CZ 3.8Å; W116-F162 HydrophobicContact CZ3-CZ 3.8Å
117P97.7Very high98.3Very high12 Ų1238 Ų388%0.07820%0.203CC..THydrogen-bonded Turntrans-80.86.9178.730.8-32.8000114K49 H83 K85 C115 S120K49-P117 HydrophobicContact CB-CB 3.63Å; K49-P117 HydrophobicContact CB-CG 4.33Å; H83-P117 VanDerWaalsContact CD2-CD 3.43Å; H83-P117 WeakPolarHBondContact CD2-CD 3.33Å; K85-P117 HydrophobicContact CB-CB 3.67Å; K85-P117 HydrophobicContact CB-CG 3.96Å; K85-P117 HydrophobicContact CD-CB 3.95Å; K85-P117 HydrophobicContact CG-CB 3.82Å; K85-P117 HydrophobicContact CG-CG 4.49Å; K85-P117 PolarHBondContact NZ-O 2.79Å; C115-P117 VanDerWaalsContact C-CD 3.49Å; P117-S120 WeakPolarHBondContact CG-OG 3.36Å
118G98.3Very high98.4Very high33 Ų3334.2 Ų34.234%0.3419%0.19SC..EExtended strand (participates in β ladder)trans87-132.3-168.400000111.1T114 C115 W116 S120T114-G118 WeakPolarHBondContact CA-O 3.36Å; C115-G118 PolarHBondContact N-O 3.49Å; C115-G118 WeakPolarHBondContact O-CA 3.37Å; C115-G118 PolarHBondContact O-N 3.49Å; W116-G118 PolarHBondContact O-N 2.67Å; G118-S120 PolarHBondContact O-N 2.65Å; G118-S120 PolarHBondContact O-OG 3.06Å
119E98.4Very high98.5Very high97 Ų9737.6 Ų37.645%0.45320%0.196SC..EExtended strand (participates in β ladder)trans-56124.4176-165.3-172.5158.100111V86 Q112V86-E119 HydrophobicContact CB-CB 4.38Å; V86-E119 HydrophobicContact CB-CG 4.12Å; V86-E119 HydrophobicContact CG2-CG 3.94Å; V86-E119 PolarHBondContact N-O 2.86Å; Q112-E119 PolarHBondContact NE2-OE1 2.77Å; Q112-E119 PolarHBondContact OE1-OE1 3.31Å
120S98.6Very high98.5Very high0 Ų031.6 Ų31.60%017%0.169CC..EExtended strand (participates in β ladder)trans-139.6143-170-56.20000111.7I84 Q112 G113 P117 G118I84-S120 CarbonylContact O-C 3.55Å; I84-S120 WeakPolarHBondContact O-CA 3.27Å; Q112-S120 WeakPolarHBondContact CA-O 3.34Å; G113-S120 PolarHBondContact N-O 3.22Å; G113-S120 PolarHBondContact O-N 2.93Å; P117-S120 WeakPolarHBondContact CG-OG 3.36Å; G118-S120 PolarHBondContact O-N 2.65Å; G118-S120 PolarHBondContact O-OG 3.06Å
121S98.8Very high98.5Very high0 Ų031 Ų310%016%0.163CC..EExtended strand (participates in β ladder)trans-106.1150.5166.7-64.80000110.3I84 I110 F111I84-S121 PolarHBondContact N-O 3.22Å; I84-S121 PolarHBondContact O-N 3.27Å; I110-S121 WeakPolarHBondContact CG2-OG 3.25Å; F111-S121 PolarHBondContact O-OG 3.29Å
122Y98.9Very high98.5Very high0 Ų031.9 Ų31.90%018%0.175CC..EExtended strand (participates in β ladder)trans-112.2127.5-171.3-70.9-101.5000110.6H83 F102 V103 F111 P159 S160 V161 M169H83-Y122 HydrophobicContact CB-CD1 4.02Å; H83-Y122 HydrophobicContact CB-CE1 3.61Å; H83-Y122 HydrophobicContact CB-CE2 4.43Å; F102-Y122 WeakPolarHBondContact CA-O 3.3Å; F102-Y122 WeakPolarHBondContact CD1-O 3.32Å; V103-Y122 PolarHBondContact N-O 3.48Å; F111-Y122 AromaticContact CD1-CD2 3.75Å; F111-Y122 HydrophobicContact CD1-CD2 3.75Å; F111-Y122 HydrophobicContact CD1-CE2 4.41Å; F111-Y122 HydrophobicContact CD1-CG 4.49Å; F111-Y122 AromaticContact CE1-CD2 3.7Å; F111-Y122 HydrophobicContact CE1-CD2 3.7Å; F111-Y122 AromaticContact CE1-CE2 3.93Å; F111-Y122 HydrophobicContact CE1-CE2 3.93Å; Y122-P159 HydrophobicContact CD1-CB 3.82Å; Y122-P159 HydrophobicContact CD1-CG 4.38Å; Y122-P159 HydrophobicContact CE1-CB 3.94Å; Y122-S160 WeakPolarHBondContact CE1-O 3.44Å; Y122-S160 PolarHBondContact OH-O 2.93Å; Y122-V161 HydrophobicContact CE1-CG2 3.81Å; Y122-V161 HydrophobicContact CE2-CG1 4.29Å; Y122-V161 HydrophobicContact CE2-CG2 4.11Å; Y122-V161 WeakPolarHBondContact OH-CA 3.39Å; Y122-M169 HydrophobicContact CD1-CE 4.3Å; Y122-M169 HydrophobicContact CD2-CE 4.13Å; Y122-M169 HydrophobicContact CG-CE 3.76Å
123L98.9Very high98.6Very high0 Ų027.7 Ų27.70%016%0.155CC..BIsolated β-bridgetrans-65.3138.6178.8-66173.9000110.5P82 I84 A96 H101 F102 F125 T130 W133 Y134 Y188P82-L123 PolarHBondContact O-N 3.24Å; I84-L123 HydrophobicContact CD1-CD1 4.06Å; I84-L123 HydrophobicContact CD1-CG 4.36Å; I84-L123 HydrophobicContact CG1-CD1 4.07Å; I84-L123 HydrophobicContact CG1-CD2 4.13Å; I84-L123 HydrophobicContact CG1-CG 3.81Å; A96-L123 HydrophobicContact CB-CD2 4.04Å; H101-L123 HydrophobicContact CB-CD2 4.1Å; H101-L123 CarbonylContact O-C 3.58Å; H101-L123 WeakPolarHBondContact O-CA 3.11Å; F102-L123 HydrophobicContact CD1-CD2 3.94Å; F102-L123 HydrophobicContact CE1-CD2 3.74Å; F102-L123 HydrophobicContact CE1-CG 4.42Å; L123-F125 HydrophobicContact CB-CD2 4.12Å; L123-F125 HydrophobicContact CB-CE2 3.59Å; L123-F125 HydrophobicContact CB-CZ 3.87Å; L123-F125 HydrophobicContact CD1-CE1 4.49Å; L123-F125 HydrophobicContact CD1-CE2 4.25Å; L123-F125 HydrophobicContact CD1-CZ 3.76Å; L123-F125 HydrophobicContact CG-CZ 4.47Å; L123-F125 PolarHBondContact O-N 3.46Å; L123-T130 HydrophobicContact CB-CG2 4.27Å; L123-W133 HydrophobicContact CD1-CZ3 3.86Å; L123-W133 HydrophobicContact CD2-CH2 4.15Å; L123-W133 HydrophobicContact CD2-CZ3 3.59Å; L123-W133 HydrophobicContact CG-CZ3 4.39Å; L123-Y134 HydrophobicContact CD1-CD2 3.53Å; L123-Y134 HydrophobicContact CD1-CE2 3.72Å; L123-Y134 HydrophobicContact CD1-CG 4.48Å; L123-Y188 WeakPolarHBondContact O-CE2 3.33Å; L123-Y188 VanDerWaalsContact O-CZ 3.31Å; L123-Y188 PolarHBondContact O-OH 3.34Å
124D98.8Very high98.6Very high9 Ų927.6 Ų27.65%0.04815%0.153CC..  trans-87.686.5175.7-177.513.9000110.9H101 V103 S126 C127 T130 H175 H176H101-D124 PolarHBondContact O-N 2.85Å; V103-D124 HydrophobicContact CG2-CB 3.75Å; D124-S126 VanDerWaalsContact CG-OG 3.29Å; D124-S126 PolarHBondContact O-N 2.87Å; D124-S126 WeakPolarHBondContact OD1-CB 3.38Å; D124-S126 PolarHBondContact OD1-N 2.88Å; D124-S126 VanDerWaalsContact OD1-N 3.16Å; D124-S126 PolarHBondContact OD1-OG 2.78Å; D124-S126 PolarHBondContact OD2-OG 2.99Å; D124-C127 WeakPolarHBondContact O-CB 3.35Å; D124-C127 PolarHBondContact O-N 2.75Å; D124-T130 WeakPolarHBondContact O-CB 3.38Å; D124-T130 WeakPolarHBondContact O-CG2 3.28Å; D124-T130 PolarHBondContact O-OG1 2.75Å; D124-H175 IonicContact OD1-CE1 2.85Å; D124-H175 IonicContact OD1-CG 3.25Å; D124-H175 IonicContact OD1-ND1 3.59Å; D124-H175 PolarHBondContact OD1-ND1 2.93Å; D124-H176 VanDerWaalsContact OD2-CB 3.28Å; D124-H176 WeakPolarHBondContact OD2-CB 3.44Å; D124-H176 PolarHBondContact OD2-N 3.4Å
125F98.7Very high98.6Very high0 Ų025.9 Ų25.90%014%0.143CC..THydrogen-bonded Turntrans-69.5-9.6179.7-71.3-76.9000114.2P82 L123 C127 R131 Y134 Y188 Y191 Q192 A195P82-F125 HydrophobicContact CB-CD2 4.36Å; P82-F125 HydrophobicContact CB-CE2 3.52Å; P82-F125 HydrophobicContact CB-CZ 4.33Å; L123-F125 HydrophobicContact CB-CD2 4.12Å; L123-F125 HydrophobicContact CB-CE2 3.59Å; L123-F125 HydrophobicContact CB-CZ 3.87Å; L123-F125 HydrophobicContact CD1-CE1 4.49Å; L123-F125 HydrophobicContact CD1-CE2 4.25Å; L123-F125 HydrophobicContact CD1-CZ 3.76Å; L123-F125 HydrophobicContact CG-CZ 4.47Å; L123-F125 PolarHBondContact O-N 3.46Å; F125-C127 PolarHBondContact O-N 3.2Å; F125-R131 HydrophobicContact CD1-CG 4.34Å; F125-R131 WeakPolarHBondContact O-CD 3.28Å; F125-R131 VanDerWaalsContact O-CG 3.26Å; F125-R131 WeakPolarHBondContact O-CG 3.49Å; F125-R131 PolarHBondContact O-NH1 2.93Å; F125-Y134 AromaticContact CE1-CD1 3.66Å; F125-Y134 HydrophobicContact CE1-CD1 3.66Å; F125-Y134 HydrophobicContact CE1-CD2 4.22Å; F125-Y134 AromaticContact CE1-CE1 3.96Å; F125-Y134 HydrophobicContact CE1-CE1 3.96Å; F125-Y134 HydrophobicContact CE1-CE2 4.49Å; F125-Y134 AromaticContact CE1-CG 3.77Å; F125-Y134 HydrophobicContact CE1-CG 3.77Å; F125-Y134 HydrophobicContact CZ-CD1 4.19Å; F125-Y134 HydrophobicContact CZ-CD2 4.19Å; F125-Y134 HydrophobicContact CZ-CE1 4.11Å; F125-Y134 HydrophobicContact CZ-CE2 4.13Å; F125-Y134 HydrophobicContact CZ-CG 4.2Å; F125-Y188 HydrophobicContact CD2-CE1 4.05Å; F125-Y188 HydrophobicContact CD2-CE2 4.17Å; F125-Y188 AromaticContact CD2-CZ 3.74Å; F125-Y188 HydrophobicContact CE2-CE1 4.48Å; F125-Y191 WeakPolarHBondContact O-CB 3.48Å; F125-Q192 HydrophobicContact CD1-CB 4.05Å; F125-Q192 HydrophobicContact CD1-CG 4.45Å; F125-Q192 HydrophobicContact CD2-CB 3.92Å; F125-Q192 HydrophobicContact CD2-CG 4.46Å; F125-Q192 HydrophobicContact CE1-CB 4Å; F125-Q192 HydrophobicContact CE1-CG 3.88Å; F125-Q192 HydrophobicContact CE2-CB 3.87Å; F125-Q192 HydrophobicContact CE2-CG 3.9Å; F125-Q192 HydrophobicContact CG-CB 4.01Å; F125-Q192 HydrophobicContact CZ-CB 3.91Å; F125-Q192 HydrophobicContact CZ-CG 3.58Å; F125-A195 HydrophobicContact CD1-CB 4.23Å; F125-A195 HydrophobicContact CE1-CB 4.23Å
126S98.1Very high98.6Very high19 Ų1932.8 Ų32.813%0.13317%0.168CC..THydrogen-bonded Turntrans-67.7-2917276.90000111.8D124 P128 R131D124-S126 VanDerWaalsContact CG-OG 3.29Å; D124-S126 PolarHBondContact O-N 2.87Å; D124-S126 WeakPolarHBondContact OD1-CB 3.38Å; D124-S126 PolarHBondContact OD1-N 2.88Å; D124-S126 VanDerWaalsContact OD1-N 3.16Å; D124-S126 PolarHBondContact OD1-OG 2.78Å; D124-S126 PolarHBondContact OD2-OG 2.99Å; S126-P128 WeakPolarHBondContact O-CD 3.35Å; S126-R131 VanDerWaalsContact C-NH1 3.32Å; S126-R131 PolarHBondContact O-NH1 3.13Å
127C98.6Very high98.6Very high12 Ų1229 Ų298%0.08116%0.155CC..SBendtrans-72.8119.2176.7-179.30000111.5D124 F125 E129 T130 R131 H176D124-C127 WeakPolarHBondContact O-CB 3.35Å; D124-C127 PolarHBondContact O-N 2.75Å; F125-C127 PolarHBondContact O-N 3.2Å; C127-E129 VanDerWaalsContact C-N 3.25Å; C127-E129 PolarHBondContact O-N 3.37Å; C127-E129 PolarHBondContact SG-OE2 2.86Å; C127-T130 WeakPolarHBondContact CB-OG1 3.29Å; C127-T130 PolarHBondContact O-N 2.86Å; C127-R131 PolarHBondContact O-N 2.85Å; C127-H176 HydrophobicContact CB-CB 3.72Å
128P98.5Very high98.7Very high60 Ų6028.4 Ų28.439%0.3915%0.151SC..Hα-helixtrans-57-36.8175.2-23.333.3000113.7S126 R131 A132S126-P128 WeakPolarHBondContact O-CD 3.35Å; P128-R131 PolarHBondContact O-N 3.46Å; P128-A132 WeakPolarHBondContact O-CB 3.16Å; P128-A132 PolarHBondContact O-N 2.84Å
129E98.6Very high98.7Very high108 Ų10828.5 Ų28.551%0.50515%0.146SC..Hα-helixtrans-66.7-39.8178.7-63.771.2-160.600111.4C127 A132 W133 H176C127-E129 VanDerWaalsContact C-N 3.25Å; C127-E129 PolarHBondContact O-N 3.37Å; C127-E129 PolarHBondContact SG-OE2 2.86Å; E129-A132 PolarHBondContact O-N 2.83Å; E129-W133 VanDerWaalsContact O-CB 3.32Å; E129-W133 WeakPolarHBondContact O-CB 3.32Å; E129-W133 PolarHBondContact O-N 2.93Å; E129-H176 IonicContact OE2-CE1 2.76Å
130T98.8Very high98.7Very high1 Ų127.2 Ų27.21%0.00614%0.14CC..Hα-helixtrans-63.6-44.3172.6-61.20000111.5H101 L123 D124 C127 A132 W133 Y134H101-T130 HydrophobicContact CB-CG2 3.99Å; H101-T130 WeakPolarHBondContact ND1-CA 3.21Å; H101-T130 PolarHBondContact ND1-OG1 3.37Å; L123-T130 HydrophobicContact CB-CG2 4.27Å; D124-T130 WeakPolarHBondContact O-CB 3.38Å; D124-T130 WeakPolarHBondContact O-CG2 3.28Å; D124-T130 PolarHBondContact O-OG1 2.75Å; C127-T130 WeakPolarHBondContact CB-OG1 3.29Å; C127-T130 PolarHBondContact O-N 2.86Å; T130-A132 PolarHBondContact O-N 2.81Å; T130-W133 PolarHBondContact O-N 3.03Å; T130-Y134 WeakPolarHBondContact O-CB 3.38Å; T130-Y134 PolarHBondContact O-N 3.01Å
131R98.9Very high98.6Very high40 Ų4034 Ų3415%0.15118%0.176CC..Hα-helixtrans-59.8-48.5175.1-66.4-164.6-61.4-79.30.8111.3F125 S126 C127 P128 W133 Y134 S135 A195F125-R131 HydrophobicContact CD1-CG 4.34Å; F125-R131 WeakPolarHBondContact O-CD 3.28Å; F125-R131 VanDerWaalsContact O-CG 3.26Å; F125-R131 WeakPolarHBondContact O-CG 3.49Å; F125-R131 PolarHBondContact O-NH1 2.93Å; S126-R131 VanDerWaalsContact C-NH1 3.32Å; S126-R131 PolarHBondContact O-NH1 3.13Å; C127-R131 PolarHBondContact O-N 2.85Å; P128-R131 PolarHBondContact O-N 3.46Å; R131-W133 VanDerWaalsContact C-N 3.32Å; R131-W133 PolarHBondContact O-N 3.08Å; R131-Y134 PolarHBondContact O-N 3.3Å; R131-S135 PolarHBondContact O-N 2.97Å; R131-S135 PolarHBondContact O-OG 2.82Å; R131-A195 HydrophobicContact CB-CB 3.9Å; R131-A195 HydrophobicContact CG-CB 4.08Å
132A98.8Very high98.6Very high42 Ų4239.5 Ų39.535%0.34720%0.2SC..Hα-helixtrans-62.6-38.7179.400000112.5P128 E129 T130 R136P128-A132 WeakPolarHBondContact O-CB 3.16Å; P128-A132 PolarHBondContact O-N 2.84Å; E129-A132 PolarHBondContact O-N 2.83Å; T130-A132 PolarHBondContact O-N 2.81Å; A132-R136 WeakPolarHBondContact O-CG 3.49Å; A132-R136 PolarHBondContact O-N 3.06Å; A132-R136 PolarHBondContact O-NH1 2.98Å; A132-R136 VanDerWaalsContact O-NH1 3.15Å
133W98.8Very high98.5Very high7 Ų739.7 Ų39.73%0.02720%0.201CC..Hα-helixtrans-63.1-51172.9168.779.4000111.7L92 E95 A96 H101 L123 E129 T130 R131 S135 R136 C137L92-W133 HydrophobicContact CD1-CH2 4.18Å; L92-W133 HydrophobicContact CD1-CZ2 3.93Å; L92-W133 HydrophobicContact CG-CH2 4.27Å; L92-W133 HydrophobicContact CG-CZ2 4.32Å; E95-W133 HydrophobicContact CB-CZ2 4.3Å; E95-W133 VanDerWaalsContact CD-NE1 3.29Å; E95-W133 HydrophobicContact CG-CZ2 4.37Å; E95-W133 PolarHBondContact OE1-NE1 3.38Å; A96-W133 HydrophobicContact CB-CH2 3.66Å; A96-W133 HydrophobicContact CB-CZ2 4.06Å; A96-W133 HydrophobicContact CB-CZ3 4.3Å; H101-W133 HydrophobicContact CB-CE3 4.34Å; H101-W133 HydrophobicContact CB-CZ3 4.48Å; H101-W133 AromaticContact CD2-CD2 3.59Å; H101-W133 AromaticContact CD2-CE3 3.86Å; H101-W133 AromaticContact CD2-CG 3.76Å; H101-W133 AromaticContact NE2-CD1 3.79Å; H101-W133 AromaticContact NE2-CD2 3.8Å; H101-W133 AromaticContact NE2-CG 3.43Å; L123-W133 HydrophobicContact CD1-CZ3 3.86Å; L123-W133 HydrophobicContact CD2-CH2 4.15Å; L123-W133 HydrophobicContact CD2-CZ3 3.59Å; L123-W133 HydrophobicContact CG-CZ3 4.39Å; E129-W133 VanDerWaalsContact O-CB 3.32Å; E129-W133 WeakPolarHBondContact O-CB 3.32Å; E129-W133 PolarHBondContact O-N 2.93Å; T130-W133 PolarHBondContact O-N 3.03Å; R131-W133 VanDerWaalsContact C-N 3.32Å; R131-W133 PolarHBondContact O-N 3.08Å; W133-S135 VanDerWaalsContact C-N 3.34Å; W133-S135 PolarHBondContact O-N 3.08Å; W133-R136 WeakPolarHBondContact O-CB 3.41Å; W133-R136 PolarHBondContact O-N 2.86Å; W133-C137 PolarHBondContact O-N 2.82Å; W133-C137 PolarHBondContact O-SG 2.83Å
134Y98.8Very high98.5Very high1 Ų147.5 Ų47.50%0.00423%0.234CC..Hα-helixtrans-60.8-41.2179.9-172.1-103.9000112.2F52 S80 L123 F125 T130 R131 R136 C137 Y138 Q192 A195F52-Y134 HydrophobicContact CE2-CD2 4.42Å; F52-Y134 AromaticContact CE2-CE2 3.76Å; F52-Y134 HydrophobicContact CE2-CE2 3.76Å; F52-Y134 HydrophobicContact CZ-CD2 4.24Å; F52-Y134 AromaticContact CZ-CE2 3.71Å; F52-Y134 HydrophobicContact CZ-CE2 3.71Å; F52-Y134 AromaticContact CZ-CZ 3.99Å; S80-Y134 PolarHBondContact OG-OH 3.45Å; L123-Y134 HydrophobicContact CD1-CD2 3.53Å; L123-Y134 HydrophobicContact CD1-CE2 3.72Å; L123-Y134 HydrophobicContact CD1-CG 4.48Å; F125-Y134 AromaticContact CE1-CD1 3.66Å; F125-Y134 HydrophobicContact CE1-CD1 3.66Å; F125-Y134 HydrophobicContact CE1-CD2 4.22Å; F125-Y134 AromaticContact CE1-CE1 3.96Å; F125-Y134 HydrophobicContact CE1-CE1 3.96Å; F125-Y134 HydrophobicContact CE1-CE2 4.49Å; F125-Y134 AromaticContact CE1-CG 3.77Å; F125-Y134 HydrophobicContact CE1-CG 3.77Å; F125-Y134 HydrophobicContact CZ-CD1 4.19Å; F125-Y134 HydrophobicContact CZ-CD2 4.19Å; F125-Y134 HydrophobicContact CZ-CE1 4.11Å; F125-Y134 HydrophobicContact CZ-CE2 4.13Å; F125-Y134 HydrophobicContact CZ-CG 4.2Å; T130-Y134 WeakPolarHBondContact O-CB 3.38Å; T130-Y134 PolarHBondContact O-N 3.01Å; R131-Y134 PolarHBondContact O-N 3.3Å; Y134-R136 VanDerWaalsContact C-N 3.28Å; Y134-R136 PolarHBondContact O-N 2.91Å; Y134-C137 VanDerWaalsContact O-CB 3.25Å; Y134-C137 WeakPolarHBondContact O-CB 3.44Å; Y134-C137 PolarHBondContact O-N 3.09Å; Y134-Y138 AromaticContact CD1-CE2 3.91Å; Y134-Y138 HydrophobicContact CD1-CE2 3.91Å; Y134-Y138 AromaticContact CE1-CE2 3.6Å; Y134-Y138 HydrophobicContact CE1-CE2 3.6Å; Y134-Y138 WeakPolarHBondContact CE1-OH 3.42Å; Y134-Y138 PolarHBondContact OH-OH 2.65Å; Y134-Q192 HydrophobicContact CE1-CG 4.27Å; Y134-Q192 PolarHBondContact OH-NE2 3.15Å; Y134-A195 HydrophobicContact CD1-CB 3.83Å
135S98.9Very high98.5Very high13 Ų1347.9 Ų47.99%0.09124%0.24CC..Hα-helixtrans-57.9-39.5173.3-59.60000112.2R131 W133 C137 Y138 A195 G199R131-S135 PolarHBondContact O-N 2.97Å; R131-S135 PolarHBondContact O-OG 2.82Å; W133-S135 VanDerWaalsContact C-N 3.34Å; W133-S135 PolarHBondContact O-N 3.08Å; S135-C137 VanDerWaalsContact C-N 3.27Å; S135-C137 PolarHBondContact O-N 3.08Å; S135-Y138 PolarHBondContact O-N 3.44Å; S135-A195 WeakPolarHBondContact CB-O 3.43Å; S135-A195 PolarHBondContact OG-O 3.33Å; S135-G199 VanDerWaalsContact O-CA 3.28Å; S135-G199 WeakPolarHBondContact O-CA 3.36Å
136R98.5Very high98.5Very high150 Ų15048.4 Ų48.457%0.56624%0.244SC*.Hα-helixtrans-68.8-23.6177.2-72.1-173.7-60.6-90.65.2113A132 W133 Y134 Y138 S139A132-R136 WeakPolarHBondContact O-CG 3.49Å; A132-R136 PolarHBondContact O-N 3.06Å; A132-R136 PolarHBondContact O-NH1 2.98Å; A132-R136 VanDerWaalsContact O-NH1 3.15Å; W133-R136 WeakPolarHBondContact O-CB 3.41Å; W133-R136 PolarHBondContact O-N 2.86Å; Y134-R136 VanDerWaalsContact C-N 3.28Å; Y134-R136 PolarHBondContact O-N 2.91Å; R136-Y138 PolarHBondContact O-N 2.93Å; R136-S139 WeakPolarHBondContact O-CB 3.32Å; R136-S139 PolarHBondContact O-N 2.86Å; R136-S139 VanDerWaalsContact O-N 3.16Å; R136-S139 PolarHBondContact O-OG 3.02Å
137C98.7Very high98.5Very high5 Ų548.1 Ų48.13%0.03424%0.241CC..Hα-helixtrans-61.7-24.8174.7-61.80000112.2F52 W133 Y134 S135 S139 K142 Y143F52-C137 HydrophobicContact CD1-CB 4.15Å; F52-C137 HydrophobicContact CE1-CB 3.66Å; F52-C137 HydrophobicContact CE2-CB 4.39Å; F52-C137 HydrophobicContact CZ-CB 3.79Å; W133-C137 PolarHBondContact O-N 2.82Å; W133-C137 PolarHBondContact O-SG 2.83Å; Y134-C137 VanDerWaalsContact O-CB 3.25Å; Y134-C137 WeakPolarHBondContact O-CB 3.44Å; Y134-C137 PolarHBondContact O-N 3.09Å; S135-C137 VanDerWaalsContact C-N 3.27Å; S135-C137 PolarHBondContact O-N 3.08Å; C137-S139 VanDerWaalsContact C-N 3.33Å; C137-S139 PolarHBondContact O-N 3.15Å; C137-K142 WeakPolarHBondContact O-CB 3.31Å; C137-Y143 WeakPolarHBondContact O-CB 3.35Å; C137-Y143 PolarHBondContact O-N 3.32Å
138Y98.7Very high98.5Very high0 Ų051.5 Ų51.50%026%0.263CS..THydrogen-bonded Turntrans-81.4-0.6176.9-68.5-73.9000115.1F52 S80 Y134 S135 R136 Y143 V152 T196 L200 R203F52-Y138 HydrophobicContact CD1-CE1 4.41Å; F52-Y138 AromaticContact CE1-CD1 3.73Å; F52-Y138 HydrophobicContact CE1-CD1 3.73Å; F52-Y138 HydrophobicContact CE1-CD2 4.24Å; F52-Y138 AromaticContact CE1-CE1 3.48Å; F52-Y138 HydrophobicContact CE1-CE1 3.48Å; F52-Y138 VanDerWaalsContact CE1-CE1 3.48Å; F52-Y138 HydrophobicContact CE1-CE2 4.05Å; F52-Y138 HydrophobicContact CE1-CG 4.09Å; F52-Y138 AromaticContact CE1-CZ 3.66Å; F52-Y138 AromaticContact CZ-CE1 4Å; F52-Y138 HydrophobicContact CZ-CE1 4Å; F52-Y138 HydrophobicContact CZ-CE2 4.02Å; F52-Y138 AromaticContact CZ-CZ 3.7Å; S80-Y138 PolarHBondContact OG-OH 2.55Å; Y134-Y138 AromaticContact CD1-CE2 3.91Å; Y134-Y138 HydrophobicContact CD1-CE2 3.91Å; Y134-Y138 AromaticContact CE1-CE2 3.6Å; Y134-Y138 HydrophobicContact CE1-CE2 3.6Å; Y134-Y138 WeakPolarHBondContact CE1-OH 3.42Å; Y134-Y138 PolarHBondContact OH-OH 2.65Å; S135-Y138 PolarHBondContact O-N 3.44Å; R136-Y138 PolarHBondContact O-N 2.93Å; Y138-Y143 HydrophobicContact CD1-CD1 4.24Å; Y138-V152 HydrophobicContact CD1-CG2 4.06Å; Y138-V152 HydrophobicContact CE1-CB 4.49Å; Y138-V152 HydrophobicContact CE1-CG1 4.18Å; Y138-V152 HydrophobicContact CE1-CG2 3.57Å; Y138-T196 HydrophobicContact CE1-CG2 4.46Å; Y138-T196 HydrophobicContact CE2-CG2 4.01Å; Y138-L200 HydrophobicContact CD1-CD2 4.18Å; Y138-L200 HydrophobicContact CG-CD2 4.43Å; Y138-R203 VanDerWaalsContact O-CD 3.31Å; Y138-R203 WeakPolarHBondContact O-CD 3.38Å
139S98.6Very high98.5Very high34 Ų3448.8 Ų48.824%0.23825%0.246CC..SBendtrans-61.8148172.876.60000110.5R136 C137 D141 K142 Y143R136-S139 WeakPolarHBondContact O-CB 3.32Å; R136-S139 PolarHBondContact O-N 2.86Å; R136-S139 VanDerWaalsContact O-N 3.16Å; R136-S139 PolarHBondContact O-OG 3.02Å; C137-S139 VanDerWaalsContact C-N 3.33Å; C137-S139 PolarHBondContact O-N 3.15Å; S139-D141 PolarHBondContact O-N 2.82Å; S139-D141 VanDerWaalsContact O-N 3.15Å; S139-K142 PolarHBondContact O-N 3.48Å; S139-K142 WeakPolarHBondContact OG-CB 3.05Å; S139-K142 PolarHBondContact OG-N 3.38Å; S139-Y143 PolarHBondContact O-N 3.23Å
140F98.4Very high98.5Very high71 Ų7143.7 Ų43.731%0.31122%0.222SC..THydrogen-bonded Turntrans-61.3-25.9-178.7-59.6-56.9000113P148 R203F140-P148 HydrophobicContact CE1-CG 4.35Å; F140-P148 HydrophobicContact CE2-CG 4.29Å; F140-P148 HydrophobicContact CZ-CB 4.29Å; F140-P148 HydrophobicContact CZ-CG 3.76Å; F140-R203 HydrophobicContact CE2-CB 4.4Å; F140-R203 HydrophobicContact CE2-CG 4.4Å; F140-R203 WeakPolarHBondContact CE2-O 3.43Å; F140-R203 HydrophobicContact CZ-CB 4.5Å; F140-R203 HydrophobicContact CZ-CG 4.07Å
141D97Very high98.5Very high143 Ų14344.3 Ų44.377%0.76523%0.225SC*.THydrogen-bonded Turntrans-74.9-35.3176-63.7-33.1000112.8S139S139-D141 PolarHBondContact O-N 2.82Å; S139-D141 VanDerWaalsContact O-N 3.15Å
142K97.8Very high98.5Very high114 Ų11442.5 Ų42.550%0.49622%0.218SC..THydrogen-bonded Turntrans-85.4-51179.7-76.5-77-166.7160.50111.3E95 C137 S139 K144E95-K142 IonicContact OE1-NZ 3.54Å; E95-K142 PolarHBondContact OE1-NZ 2.97Å; E95-K142 IonicContact OE2-NZ 3.25Å; E95-K142 PolarHBondContact OE2-NZ 3.27Å; C137-K142 WeakPolarHBondContact O-CB 3.31Å; S139-K142 PolarHBondContact O-N 3.48Å; S139-K142 WeakPolarHBondContact OG-CB 3.05Å; S139-K142 PolarHBondContact OG-N 3.38Å; K142-K144 VanDerWaalsContact C-N 3.28Å; K142-K144 PolarHBondContact O-N 2.88Å
143Y98.4Very high98.5Very high5 Ų540.5 Ų40.52%0.0220%0.201CC..SBendtrans-84.773.8175.7-167.4-177.7000110.8F52 W54 V78 C137 Y138 S139 G145 S146 L150F52-Y143 VanDerWaalsContact CA-CE2 3.45Å; F52-Y143 HydrophobicContact CB-CD2 4.1Å; F52-Y143 HydrophobicContact CB-CE2 4.3Å; F52-Y143 AromaticContact CD1-CD1 3.99Å; F52-Y143 HydrophobicContact CD1-CD1 3.99Å; F52-Y143 HydrophobicContact CD1-CD2 4.35Å; F52-Y143 HydrophobicContact CD1-CE1 4.39Å; F52-Y143 AromaticContact CD1-CG 3.96Å; F52-Y143 HydrophobicContact CD1-CG 3.96Å; W54-Y143 HydrophobicContact CZ2-CE2 4.46Å; W54-Y143 AromaticContact NE1-CE2 3.61Å; V78-Y143 HydrophobicContact CG2-CE1 4.3Å; V78-Y143 WeakPolarHBondContact CG2-OH 3.49Å; C137-Y143 WeakPolarHBondContact O-CB 3.35Å; C137-Y143 PolarHBondContact O-N 3.32Å; Y138-Y143 HydrophobicContact CD1-CD1 4.24Å; S139-Y143 PolarHBondContact O-N 3.23Å; Y143-G145 PolarHBondContact O-N 3.32Å; Y143-S146 WeakPolarHBondContact O-CB 3.2Å; Y143-S146 PolarHBondContact O-N 2.86Å; Y143-S146 VanDerWaalsContact O-N 3.08Å; Y143-S146 PolarHBondContact O-OG 3.43Å; Y143-L150 HydrophobicContact CE1-CD2 3.87Å
144K98.1Very high98.5Very high164 Ų16440.2 Ų40.271%0.71320%0.2SC*.THydrogen-bonded Turntrans-55.7133.8177.9-64-175.8-178.6179.70110.6W54 K142W54-K144 PolarHBondContact NE1-O 3.31Å; W54-K144 VanDerWaalsContact NE1-O 3.13Å; K142-K144 VanDerWaalsContact C-N 3.28Å; K142-K144 PolarHBondContact O-N 2.88Å
145G98.1Very high98.5Very high16 Ų1640.7 Ų40.717%0.16520%0.203CC..THydrogen-bonded Turntrans93.3-10.3-177.200000114.5Q66 Y143Q66-G145 PolarHBondContact NE2-O 3.17Å; Y143-G145 PolarHBondContact O-N 3.32Å
146S98.8Very high98.5Very high11 Ų1140.5 Ų40.58%0.07720%0.201CC..  trans-83.4151.6173.269.40000112.6Y143 L150Y143-S146 WeakPolarHBondContact O-CB 3.2Å; Y143-S146 PolarHBondContact O-N 2.86Å; Y143-S146 VanDerWaalsContact O-N 3.08Å; Y143-S146 PolarHBondContact O-OG 3.43Å; S146-L150 VanDerWaalsContact CB-CD2 3.48Å
147T98.8Very high98.5Very high14 Ų1433.4 Ų33.49%0.08617%0.174CC..  trans-133.6172.2173.874.90000109.8V63 Q66 S149 L150V63-T147 HydrophobicContact CB-CG2 4.35Å; V63-T147 HydrophobicContact CG1-CG2 3.86Å; V63-T147 HydrophobicContact CG2-CG2 4.39Å; Q66-T147 HydrophobicContact CB-CG2 4.24Å; Q66-T147 PolarHBondContact OE1-OG1 3.49Å; T147-S149 PolarHBondContact O-N 3.47Å; T147-S149 PolarHBondContact OG1-N 2.88Å; T147-S149 PolarHBondContact OG1-OG 3.29Å; T147-L150 WeakPolarHBondContact O-CB 3.22Å; T147-L150 PolarHBondContact O-N 3.3Å
148P98.6Very high98.5Very high83 Ų8335.5 Ų35.554%0.53918%0.183SC..THydrogen-bonded Turntrans-56.6-21.3176.7-27.536.3000115F140 L150F140-P148 HydrophobicContact CE1-CG 4.35Å; F140-P148 HydrophobicContact CE2-CG 4.29Å; F140-P148 HydrophobicContact CZ-CB 4.29Å; F140-P148 HydrophobicContact CZ-CG 3.76Å; P148-L150 VanDerWaalsContact C-N 3.32Å
149S98.1Very high98.5Very high3 Ų335.5 Ų35.52%0.02118%0.183CC..THydrogen-bonded Turntrans-850.9178.467.10000114.6M76 T147M76-S149 PolarHBondContact N-O 2.94Å; T147-S149 PolarHBondContact O-N 3.47Å; T147-S149 PolarHBondContact OG1-N 2.88Å; T147-S149 PolarHBondContact OG1-OG 3.29Å
150L98.9Very high98.5Very high1 Ų134.2 Ų34.21%0.00517%0.174CC..EExtended strand (participates in β ladder)trans-97122.6177.5-17070.3000112W54 M76 V78 Y143 S146 T147 P148 R203W54-L150 HydrophobicContact CH2-CD1 4.24Å; W54-L150 HydrophobicContact CH2-CD2 4.3Å; W54-L150 HydrophobicContact CZ2-CD2 3.91Å; M76-L150 HydrophobicContact CB-CD1 3.77Å; M76-L150 HydrophobicContact CG-CD1 3.63Å; M76-L150 CarbonylContact O-C 3.5Å; M76-L150 WeakPolarHBondContact O-CA 3.25Å; M76-L150 HydrophobicContact SD-CD1 3.74Å; V78-L150 HydrophobicContact CB-CD1 4.38Å; V78-L150 HydrophobicContact CG1-CD1 3.77Å; V78-L150 HydrophobicContact CG2-CD1 3.87Å; V78-L150 HydrophobicContact CG2-CD2 3.87Å; V78-L150 HydrophobicContact CG2-CG 3.9Å; Y143-L150 HydrophobicContact CE1-CD2 3.87Å; S146-L150 VanDerWaalsContact CB-CD2 3.48Å; T147-L150 WeakPolarHBondContact O-CB 3.22Å; T147-L150 PolarHBondContact O-N 3.3Å; P148-L150 VanDerWaalsContact C-N 3.32Å; L150-R203 PolarHBondContact O-NH1 2.78Å; L150-R203 PolarHBondContact O-NH2 2.86Å
151F98.9Very high98.5Very high14 Ų1430.9 Ų30.96%0.06116%0.16CC..EExtended strand (participates in β ladder)trans-116.3178.7176-65.6-91.2000110.7F5 K75 M76 V77 V78 L200 F211F5-F151 HydrophobicContact CE1-CD2 4.24Å; F5-F151 AromaticContact CE1-CE1 3.95Å; F5-F151 HydrophobicContact CE1-CE1 3.95Å; F5-F151 AromaticContact CE1-CE2 3.6Å; F5-F151 HydrophobicContact CE1-CE2 3.6Å; F5-F151 AromaticContact CE1-CZ 3.43Å; F5-F151 HydrophobicContact CE1-CZ 3.43Å; F5-F151 VanDerWaalsContact CE1-CZ 3.43Å; F5-F151 HydrophobicContact CE2-CD2 4.11Å; F5-F151 HydrophobicContact CE2-CE2 4.22Å; F5-F151 AromaticContact CZ-CD1 3.96Å; F5-F151 HydrophobicContact CZ-CD1 3.96Å; F5-F151 AromaticContact CZ-CD2 3.51Å; F5-F151 HydrophobicContact CZ-CD2 3.51Å; F5-F151 AromaticContact CZ-CE1 3.8Å; F5-F151 HydrophobicContact CZ-CE1 3.8Å; F5-F151 AromaticContact CZ-CE2 3.36Å; F5-F151 HydrophobicContact CZ-CE2 3.36Å; F5-F151 AromaticContact CZ-CG 3.81Å; F5-F151 HydrophobicContact CZ-CG 3.81Å; F5-F151 AromaticContact CZ-CZ 3.5Å; F5-F151 HydrophobicContact CZ-CZ 3.5Å; K75-F151 HydrophobicContact CB-CD2 4.22Å; K75-F151 HydrophobicContact CB-CE2 4.34Å; K75-F151 HydrophobicContact CD-CE2 4Å; K75-F151 HydrophobicContact CG-CD2 4.48Å; K75-F151 HydrophobicContact CG-CE2 4.12Å; M76-F151 PolarHBondContact O-N 2.79Å; V77-F151 WeakPolarHBondContact CA-O 3.48Å; V77-F151 HydrophobicContact CG2-CB 3.8Å; V78-F151 PolarHBondContact N-O 2.97Å; F151-L200 HydrophobicContact CD1-CD1 4.24Å; F151-F211 HydrophobicContact CB-CB 4.29Å; F151-F211 HydrophobicContact CB-CD1 3.94Å; F151-F211 HydrophobicContact CD1-CB 3.59Å; F151-F211 HydrophobicContact CE1-CB 4.15Å; F151-F211 HydrophobicContact CG-CB 4.08Å; F151-F211 HydrophobicContact CG-CD1 4.47Å
152V98.9Very high98.6Very high1 Ų127.7 Ų27.71%0.00614%0.139CC..EExtended strand (participates in β ladder)trans-127.7148-164.2-177.50000112.3V78 Y138 T196 L200 F211 V212 L213V78-V152 WeakPolarHBondContact O-CA 3.43Å; Y138-V152 HydrophobicContact CD1-CG2 4.06Å; Y138-V152 HydrophobicContact CE1-CB 4.49Å; Y138-V152 HydrophobicContact CE1-CG1 4.18Å; Y138-V152 HydrophobicContact CE1-CG2 3.57Å; V152-T196 HydrophobicContact CB-CG2 3.7Å; V152-T196 HydrophobicContact CG1-CG2 3.52Å; V152-T196 HydrophobicContact CG2-CG2 4.22Å; V152-L200 HydrophobicContact CB-CD1 4.24Å; V152-L200 HydrophobicContact CG2-CD1 4.09Å; V152-L200 HydrophobicContact CG2-CD2 3.76Å; V152-L200 HydrophobicContact CG2-CG 4.33Å; V152-F211 PolarHBondContact N-O 3.02Å; V152-V212 VanDerWaalsContact O-CA 3.29Å; V152-V212 WeakPolarHBondContact O-CA 3.21Å; V152-L213 PolarHBondContact O-N 3.04Å
153W98.9Very high98.6Very high1 Ų127.1 Ų27.10%0.00414%0.141CC..EExtended strand (participates in β ladder)trans-120.6120170.8169.423.5000108.6W40 D42 V77 V78 I79 S80 D155 L213 W228 H289W40-W153 HydrophobicContact CE3-CB 4.13Å; W40-W153 HydrophobicContact CE3-CD2 4.13Å; W40-W153 AromaticContact CE3-CE3 3.88Å; W40-W153 HydrophobicContact CE3-CE3 3.88Å; W40-W153 HydrophobicContact CE3-CG 4.25Å; W40-W153 HydrophobicContact CH2-CB 4.5Å; W40-W153 HydrophobicContact CZ3-CB 3.58Å; W40-W153 AromaticContact CZ3-CD2 3.92Å; W40-W153 HydrophobicContact CZ3-CD2 3.92Å; W40-W153 HydrophobicContact CZ3-CE3 4.16Å; W40-W153 AromaticContact CZ3-CG 3.66Å; W40-W153 HydrophobicContact CZ3-CG 3.66Å; D42-W153 HydrophobicContact CB-CZ3 4.33Å; V77-W153 HydrophobicContact CG1-CB 3.7Å; V78-W153 PolarHBondContact O-N 3.33Å; I79-W153 CarbonylContact C-O 3.53Å; I79-W153 WeakPolarHBondContact CA-O 3.34Å; I79-W153 HydrophobicContact CB-CD2 4.09Å; I79-W153 HydrophobicContact CB-CE3 3.59Å; I79-W153 HydrophobicContact CB-CZ3 4.04Å; I79-W153 HydrophobicContact CD1-CD2 3.92Å; I79-W153 HydrophobicContact CD1-CE3 3.75Å; I79-W153 HydrophobicContact CD1-CH2 3.62Å; I79-W153 HydrophobicContact CD1-CZ2 3.82Å; I79-W153 HydrophobicContact CD1-CZ3 3.6Å; I79-W153 HydrophobicContact CG1-CD2 3.98Å; I79-W153 HydrophobicContact CG1-CE3 3.89Å; I79-W153 HydrophobicContact CG1-CG 4.43Å; I79-W153 HydrophobicContact CG1-CZ3 4.23Å; S80-W153 PolarHBondContact N-O 2.82Å; W153-D155 HydrophobicContact CZ2-CB 3.86Å; W153-L213 CarbonylContact C-O 3.46Å; W153-L213 WeakPolarHBondContact CA-O 3.36Å; W153-L213 HydrophobicContact CG-CD2 4.43Å; W153-W228 AromaticContact CD1-CH2 3.95Å; W153-W228 AromaticContact CD1-CZ3 3.79Å; W153-W228 AromaticContact CE2-CH2 3.73Å; W153-W228 AromaticContact CZ2-CH2 3.96Å; W153-W228 HydrophobicContact CZ2-CH2 3.96Å; W153-W228 AromaticContact CZ2-CZ2 4Å; W153-W228 HydrophobicContact CZ2-CZ2 4Å; W153-W228 AromaticContact NE1-CH2 2.93Å; W153-W228 AromaticContact NE1-CZ2 3.79Å; W153-W228 AromaticContact NE1-CZ3 3.2Å; W153-H289 AromaticContact CH2-NE2 3.83Å
154N98.9Very high98.6Very high0 Ų027.6 Ų27.60%015%0.148CC..EExtended strand (participates in β ladder)trans-95.5108.3170.3-63.1147.5000109.3S80 Q192 T196 V212 L213 T214 R215S80-N154 PolarHBondContact O-ND2 3.49Å; N154-Q192 PolarHBondContact ND2-NE2 3.03Å; N154-T196 PolarHBondContact ND2-OG1 2.86Å; N154-T196 VanDerWaalsContact OD1-CB 3.26Å; N154-T196 WeakPolarHBondContact OD1-CB 3.32Å; N154-T196 PolarHBondContact OD1-OG1 3.04Å; N154-V212 WeakPolarHBondContact OD1-CG1 3.48Å; N154-L213 PolarHBondContact N-O 2.86Å; N154-T214 VanDerWaalsContact O-CA 3.3Å; N154-T214 WeakPolarHBondContact O-CA 3.41Å; N154-R215 PolarHBondContact O-N 3.02Å
155D98.8Very high98.6Very high12 Ų1223.1 Ų23.16%0.06414%0.136CC..  trans-105.6175.1170.9-160.814000110.4I79 D81 P82 W153 N157 R215 W228I79-D155 HydrophobicContact CD1-CB 3.51Å; I79-D155 HydrophobicContact CG1-CB 4.1Å; D81-D155 WeakPolarHBondContact OD1-CA 3.2Å; D81-D155 VanDerWaalsContact OD1-CB 3.32Å; D81-D155 WeakPolarHBondContact OD1-CB 3.49Å; D81-D155 PolarHBondContact OD1-N 2.93Å; D81-D155 VanDerWaalsContact OD1-N 3.17Å; P82-D155 VanDerWaalsContact CD-O 3.27Å; P82-D155 WeakPolarHBondContact CD-O 3.46Å; W153-D155 HydrophobicContact CZ2-CB 3.86Å; D155-N157 PolarHBondContact O-N 3.37Å; D155-R215 WeakPolarHBondContact OD1-CD 3.38Å; D155-R215 IonicContact OD1-CZ 3.2Å; D155-R215 IonicContact OD1-NE 2.99Å; D155-R215 PolarHBondContact OD1-NE 3.29Å; D155-R215 VanDerWaalsContact OD1-NE 3.13Å; D155-R215 IonicContact OD1-NH1 2.9Å; D155-R215 PolarHBondContact OD1-NH1 3.27Å; D155-R215 IonicContact OD2-NH1 3.06Å; D155-R215 PolarHBondContact OD2-NH1 2.85Å; D155-W228 HydrophobicContact CB-CH2 4.35Å; D155-W228 WeakPolarHBondContact OD1-CH2 3.26Å
156M98.7Very high98.6Very high9 Ų930.5 Ų30.54%0.04417%0.166CC..SBendtrans59.424.9170.5-47.3-53.8-75.700113.8D81 W116 S160 F162 R215D81-M156 HydrophobicContact CB-CB 4.19Å; D81-M156 HydrophobicContact CB-CG 4.48Å; W116-M156 HydrophobicContact CZ2-CE 4.04Å; W116-M156 HydrophobicContact CZ2-SD 4.47Å; M156-S160 WeakPolarHBondContact CE-OG 3.49Å; M156-S160 PolarHBondContact O-N 3Å; M156-F162 HydrophobicContact CE-CE1 3.64Å; M156-F162 HydrophobicContact CE-CZ 4.13Å; M156-R215 VanDerWaalsContact SD-CZ 3.53Å; M156-R215 PolarHBondContact SD-NH1 3.17Å; M156-R215 PolarHBondContact SD-NH2 3.05Å
157N98.8Very high98.6Very high0 Ų036.1 Ų36.10%019%0.191CC..THydrogen-bonded Turntrans-103.822.9-166.273.5-42.1000115.5P82 D155 Y188 G189 T214 R215 S216P82-N157 HydrophobicContact CG-CB 3.98Å; D155-N157 PolarHBondContact O-N 3.37Å; N157-Y188 WeakPolarHBondContact O-CD1 3.35Å; N157-G189 WeakPolarHBondContact ND2-CA 3.46Å; N157-G189 PolarHBondContact ND2-O 3.01Å; N157-G189 WeakPolarHBondContact O-CA 3.34Å; N157-G189 PolarHBondContact O-N 3.45Å; N157-T214 PolarHBondContact ND2-OG1 3.28Å; N157-R215 PolarHBondContact OD1-N 3.31Å; N157-S216 PolarHBondContact ND2-O 3.24Å; N157-S216 VanDerWaalsContact O-CB 3.32Å; N157-S216 WeakPolarHBondContact O-CB 3.07Å; N157-S216 WeakPolarHBondContact OD1-CB 3.49Å; N157-S216 PolarHBondContact OD1-N 3.24Å
158E98.9Very high98.6Very high49 Ų4936.3 Ų36.323%0.22919%0.192CC..THydrogen-bonded Turntrans-60-42.9168.8-6468.9-144.700114R215E158-R215 IonicContact OE1-CZ 3.04Å; E158-R215 IonicContact OE1-NE 3.85Å; E158-R215 PolarHBondContact OE1-NE 3.17Å; E158-R215 IonicContact OE1-NH2 3.67Å; E158-R215 PolarHBondContact OE1-NH2 3.23Å; E158-R215 IonicContact OE2-CZ 3.84Å; E158-R215 IonicContact OE2-NE 2.67Å; E158-R215 IonicContact OE2-NH2 2.6Å; E158-R215 PolarHBondContact OE2-NH2 3.45Å
159P98.6Very high98.6Very high0 Ų032.4 Ų32.40%017%0.167CC..THydrogen-bonded Turncis-81.9145.83.731.2-32.3000114.2Y122 T168 M169 Y188Y122-P159 HydrophobicContact CD1-CB 3.82Å; Y122-P159 HydrophobicContact CD1-CG 4.38Å; Y122-P159 HydrophobicContact CE1-CB 3.94Å; P159-T168 WeakPolarHBondContact O-CA 3.39Å; P159-T168 WeakPolarHBondContact O-CB 3.43Å; P159-T168 PolarHBondContact O-OG1 3.46Å; P159-M169 HydrophobicContact CG-CB 4.05Å; P159-M169 HydrophobicContact CG-CE 4.36Å; P159-Y188 HydrophobicContact CB-CD1 3.93Å; P159-Y188 HydrophobicContact CB-CE1 3.57Å; P159-Y188 HydrophobicContact CG-CD1 4.01Å; P159-Y188 HydrophobicContact CG-CD2 4.45Å; P159-Y188 HydrophobicContact CG-CE1 3.94Å; P159-Y188 HydrophobicContact CG-CE2 4.38Å; P159-Y188 HydrophobicContact CG-CG 4.27Å
160S98.8Very high98.6Very high8 Ų833.9 Ų33.96%0.05618%0.176CC..BIsolated β-bridgetrans-78.5125.3170.5175.10000111Y122 M156 Q167Y122-S160 WeakPolarHBondContact CE1-O 3.44Å; Y122-S160 PolarHBondContact OH-O 2.93Å; M156-S160 WeakPolarHBondContact CE-OG 3.49Å; M156-S160 PolarHBondContact O-N 3Å; S160-Q167 CarbonylContact C-O 3.49Å; S160-Q167 WeakPolarHBondContact CA-O 3.33Å
161V98.8Very high98.6Very high0 Ų039.5 Ų39.50%020%0.201CC..  trans-131.7103.3178-169.50000107.9F111 Y122 N163 G164 Q167 M169F111-V161 HydrophobicContact CE1-CG1 4.33Å; F111-V161 HydrophobicContact CZ-CG1 4.24Å; Y122-V161 HydrophobicContact CE1-CG2 3.81Å; Y122-V161 HydrophobicContact CE2-CG1 4.29Å; Y122-V161 HydrophobicContact CE2-CG2 4.11Å; Y122-V161 WeakPolarHBondContact OH-CA 3.39Å; V161-N163 VanDerWaalsContact C-N 3.27Å; V161-N163 WeakPolarHBondContact CG1-OD1 3.35Å; V161-N163 PolarHBondContact O-N 3.28Å; V161-N163 VanDerWaalsContact O-N 3.17Å; V161-G164 PolarHBondContact O-N 3.2Å; V161-Q167 PolarHBondContact N-O 3.1Å; V161-Q167 CarbonylContact O-C 3.54Å; V161-Q167 WeakPolarHBondContact O-CA 3.1Å; V161-M169 HydrophobicContact CG2-CB 4.33Å
162F98.6Very high98.6Very high76 Ų7641.4 Ų41.433%0.33321%0.212SC..THydrogen-bonded Turntrans-59.6-35.2-167.9-65.7-16.7000114T114 C115 W116 M156T114-F162 WeakPolarHBondContact O-CB 3.22Å; T114-F162 PolarHBondContact O-N 2.95Å; C115-F162 VanDerWaalsContact CA-CD2 3.47Å; W116-F162 HydrophobicContact CD2-CE2 4.13Å; W116-F162 AromaticContact CD2-CZ 3.67Å; W116-F162 HydrophobicContact CD2-CZ 3.67Å; W116-F162 AromaticContact CE2-CZ 3.8Å; W116-F162 AromaticContact CE3-CE2 3.84Å; W116-F162 HydrophobicContact CE3-CE2 3.84Å; W116-F162 AromaticContact CE3-CZ 3.69Å; W116-F162 HydrophobicContact CE3-CZ 3.69Å; W116-F162 HydrophobicContact CG-CZ 4.31Å; W116-F162 AromaticContact CH2-CZ 3.92Å; W116-F162 HydrophobicContact CH2-CZ 3.92Å; W116-F162 AromaticContact CZ2-CZ 3.94Å; W116-F162 HydrophobicContact CZ2-CZ 3.94Å; W116-F162 HydrophobicContact CZ3-CE2 4.1Å; W116-F162 AromaticContact CZ3-CZ 3.8Å; W116-F162 HydrophobicContact CZ3-CZ 3.8Å; M156-F162 HydrophobicContact CE-CE1 3.64Å; M156-F162 HydrophobicContact CE-CZ 4.13Å
163N97.9Very high98.6Very high102 Ų10241.5 Ų41.555%0.54521%0.212SC..THydrogen-bonded Turntrans-96.95.2176.768.1-26.2000113.9T114 V161T114-N163 PolarHBondContact N-OD1 2.9Å; T114-N163 WeakPolarHBondContact OG1-CB 3.34Å; T114-N163 VanDerWaalsContact OG1-CG 3.23Å; T114-N163 PolarHBondContact OG1-N 2.93Å; T114-N163 PolarHBondContact OG1-OD1 2.93Å; V161-N163 VanDerWaalsContact C-N 3.27Å; V161-N163 WeakPolarHBondContact CG1-OD1 3.35Å; V161-N163 PolarHBondContact O-N 3.28Å; V161-N163 VanDerWaalsContact O-N 3.17Å
164G98.1Very high98.6Very high16 Ų1643.4 Ų43.417%0.16522%0.224CC..SBendtrans-83.9162.7179.700000113.2V161 E166 Q167 T168V161-G164 PolarHBondContact O-N 3.2Å; G164-E166 PolarHBondContact O-N 3.43Å; G164-Q167 PolarHBondContact O-N 3.29Å; G164-Q167 VanDerWaalsContact O-N 3.1Å; G164-T168 CarbonylContact C-O 3.52Å; G164-T168 VanDerWaalsContact CA-O 3.28Å; G164-T168 WeakPolarHBondContact CA-O 3.22Å
165P97.8Very high98.5Very high69 Ų6943.8 Ų43.845%0.44823%0.226SC..G310 helixtrans-58132.8172.726.5-35.2000110.3Q167 T168P165-Q167 PolarHBondContact O-N 3.21Å; P165-T168 VanDerWaalsContact CD-O 3.28Å; P165-T168 WeakPolarHBondContact CD-O 3.48Å; P165-T168 WeakPolarHBondContact O-CG2 3.49Å; P165-T168 PolarHBondContact O-N 2.85Å
166E98.2Very high98.5Very high172 Ų17247.5 Ų47.580%0.80424%0.242SC*.G310 helixtrans55.324.6-177.9-54.3178.2-101.700113.2G164 T168G164-E166 PolarHBondContact O-N 3.43Å; E166-T168 PolarHBondContact O-N 3.49Å
167Q98.3Very high98.4Very high129 Ų12950.3 Ų50.360%0.60327%0.274SS*.G310 helixtrans58.530.5-171.5-58-178.5-4.900114.1S160 V161 G164 P165S160-Q167 CarbonylContact C-O 3.49Å; S160-Q167 WeakPolarHBondContact CA-O 3.33Å; V161-Q167 PolarHBondContact N-O 3.1Å; V161-Q167 CarbonylContact O-C 3.54Å; V161-Q167 WeakPolarHBondContact O-CA 3.1Å; G164-Q167 PolarHBondContact O-N 3.29Å; G164-Q167 VanDerWaalsContact O-N 3.1Å; P165-Q167 PolarHBondContact O-N 3.21Å
168T98.8Very high98.3Very high18 Ų1853 Ų5311%0.1130%0.301CS..BIsolated β-bridgetrans-136.2180175-163.20000112.6P159 G164 P165 E166 H185P159-T168 WeakPolarHBondContact O-CA 3.39Å; P159-T168 WeakPolarHBondContact O-CB 3.43Å; P159-T168 PolarHBondContact O-OG1 3.46Å; G164-T168 CarbonylContact C-O 3.52Å; G164-T168 VanDerWaalsContact CA-O 3.28Å; G164-T168 WeakPolarHBondContact CA-O 3.22Å; P165-T168 VanDerWaalsContact CD-O 3.28Å; P165-T168 WeakPolarHBondContact CD-O 3.48Å; P165-T168 WeakPolarHBondContact O-CG2 3.49Å; P165-T168 PolarHBondContact O-N 2.85Å; E166-T168 PolarHBondContact O-N 3.49Å; T168-H185 PolarHBondContact OG1-CE1 3.17Å; T168-H185 VanDerWaalsContact OG1-CE1 3.28Å
169M98.6Very high98.3Very high1 Ų157.4 Ų57.41%0.00532%0.316CS..  trans-64.2140.1-177.5179.578.266.500111.6V103 F111 Y122 P159 V161 A173 H181V103-M169 HydrophobicContact CB-CE 4.26Å; V103-M169 HydrophobicContact CG1-CE 4.1Å; V103-M169 HydrophobicContact CG1-SD 4.19Å; V103-M169 HydrophobicContact CG2-CE 4.38Å; F111-M169 HydrophobicContact CB-SD 4.41Å; F111-M169 HydrophobicContact CD1-CE 3.44Å; F111-M169 VanDerWaalsContact CD1-CE 3.44Å; F111-M169 HydrophobicContact CD1-SD 3.22Å; F111-M169 WeakPolarHBondContact CD1-SD 3.46Å; F111-M169 HydrophobicContact CD2-SD 3.79Å; F111-M169 HydrophobicContact CE1-CE 3.59Å; F111-M169 HydrophobicContact CE1-SD 3.21Å; F111-M169 WeakPolarHBondContact CE1-SD 3.46Å; F111-M169 HydrophobicContact CE2-SD 3.8Å; F111-M169 HydrophobicContact CG-CE 4.19Å; F111-M169 HydrophobicContact CG-SD 3.51Å; F111-M169 VanDerWaalsContact CG-SD 3.51Å; F111-M169 HydrophobicContact CZ-CE 4.44Å; F111-M169 HydrophobicContact CZ-SD 3.51Å; F111-M169 VanDerWaalsContact CZ-SD 3.51Å; Y122-M169 HydrophobicContact CD1-CE 4.3Å; Y122-M169 HydrophobicContact CD2-CE 4.13Å; Y122-M169 HydrophobicContact CG-CE 3.76Å; P159-M169 HydrophobicContact CG-CB 4.05Å; P159-M169 HydrophobicContact CG-CE 4.36Å; V161-M169 HydrophobicContact CG2-CB 4.33Å; M169-A173 HydrophobicContact CG-CB 3.68Å; M169-A173 HydrophobicContact SD-CB 3.71Å; M169-H181 WeakPolarHBondContact CB-NE2 3.28Å; M169-H181 HydrophobicContact CG-CB 4.19Å
170P98.5Very high98.3Very high34 Ų3459.8 Ų59.822%0.22133%0.327CS..  trans-55141.7172.7-26.536000112.9F111 D172 A173 H181F111-P170 VanDerWaalsContact CE2-CD 3.47Å; F111-P170 HydrophobicContact CE2-CG 3.76Å; F111-P170 HydrophobicContact CZ-CG 4.23Å; P170-D172 PolarHBondContact O-N 3.06Å; P170-A173 WeakPolarHBondContact O-CB 3.41Å; P170-A173 PolarHBondContact O-N 2.71Å; P170-A173 VanDerWaalsContact O-N 3.13Å; P170-H181 WeakPolarHBondContact O-CB 3.49Å
171K98.7Very high98.3Very high119 Ų11959.5 Ų59.552%0.51733%0.325SS..THydrogen-bonded Turntrans-62-26.5-174.6-76-172179.2176.60114.3E180 H181 R182K171-E180 WeakPolarHBondContact O-CB 3.48Å; K171-H181 PolarHBondContact O-N 3.03Å; K171-R182 HydrophobicContact CB-CB 4.14Å; K171-R182 HydrophobicContact CG-CB 4.32Å; K171-R182 PolarHBondContact O-N 2.9Å; K171-R182 VanDerWaalsContact O-N 3.11Å
172D98.5Very high98.3Very high54 Ų5466.1 Ų66.129%0.28935%0.35SS..THydrogen-bonded Turntrans-1009.2-178.662.4-20.1000113.6R106 P170R106-D172 IonicContact NH1-OD2 3.81Å; P170-D172 PolarHBondContact O-N 3.06Å
173A98.7Very high98.3Very high2 Ų267.1 Ų67.12%0.01736%0.355CS..  trans-60.8141.6164.600000109.7V103 K104 M169 P170 E180 H181V103-A173 HydrophobicContact CG1-CB 4Å; K104-A173 CarbonylContact O-C 3.46Å; K104-A173 WeakPolarHBondContact O-CA 3.35Å; M169-A173 HydrophobicContact CG-CB 3.68Å; M169-A173 HydrophobicContact SD-CB 3.71Å; P170-A173 WeakPolarHBondContact O-CB 3.41Å; P170-A173 PolarHBondContact O-N 2.71Å; P170-A173 VanDerWaalsContact O-N 3.13Å; A173-E180 CarbonylContact O-C 3.47Å; A173-E180 VanDerWaalsContact O-CA 3.3Å; A173-E180 WeakPolarHBondContact O-CA 3.32Å; A173-H181 HydrophobicContact CB-CB 4.16Å; A173-H181 PolarHBondContact O-N 2.9Å
174V98.7Very high98.3Very high42 Ų4263.6 Ų63.626%0.25534%0.337SS..BIsolated β-bridgetrans-106.4125.3-169.5-175.30000110.3K104K104-V174 HydrophobicContact CB-CB 4.45Å; K104-V174 PolarHBondContact N-O 3.05Å; K104-V174 PolarHBondContact O-N 2.93Å
175H98.8Very high98.3Very high8 Ų865.6 Ų65.64%0.03734%0.341CS..  trans-100.7173.8176.8-71.9-93.6000111.7D124 G177 G178 W179 H181 L184D124-H175 IonicContact OD1-CE1 2.85Å; D124-H175 IonicContact OD1-CG 3.25Å; D124-H175 IonicContact OD1-ND1 3.59Å; D124-H175 PolarHBondContact OD1-ND1 2.93Å; H175-G177 PolarHBondContact O-N 3.48Å; H175-G178 PolarHBondContact O-N 2.95Å; H175-W179 PolarHBondContact N-O 3.31Å; H175-H181 AromaticContact CD2-ND1 3.97Å; H175-H181 AromaticContact CE1-ND1 3.7Å; H175-H181 AromaticContact NE2-CE1 3.99Å; H175-H181 AromaticContact NE2-CG 3.65Å; H175-H181 AromaticContact NE2-ND1 2.89Å; H175-H181 PolarHBondContact NE2-ND1 2.86Å; H175-L184 HydrophobicContact CB-CD1 3.69Å
176H97.8Very high98.3Very high89 Ų8967 Ų6741%0.41235%0.345SS..G310 helixtrans-49.5136.2174.317889.8000111.9D124 C127 E129 G178D124-H176 VanDerWaalsContact OD2-CB 3.28Å; D124-H176 WeakPolarHBondContact OD2-CB 3.44Å; D124-H176 PolarHBondContact OD2-N 3.4Å; C127-H176 HydrophobicContact CB-CB 3.72Å; E129-H176 IonicContact OE2-CE1 2.76Å; H176-G178 VanDerWaalsContact C-N 3.26Å; H176-G178 PolarHBondContact O-N 3.12Å
177G96.5Very high98.4Very high68 Ų6860.8 Ų60.870%0.70132%0.318SS*.G310 helixtrans79.90.3-175.500000114.7H175H175-G177 PolarHBondContact O-N 3.48Å
178G97.6Very high98.4Very high56 Ų5655 Ų5558%0.57729%0.29SS*.G310 helixtrans84.810.1178.400000114.4H175 H176H175-G178 PolarHBondContact O-N 2.95Å; H176-G178 VanDerWaalsContact C-N 3.26Å; H176-G178 PolarHBondContact O-N 3.12Å
179W98.4Very high98.4Very high142 Ų14254.1 Ų54.154%0.53829%0.285SS..  trans-68.1139.4173.2-64.2109.2000110.6H175 E183 L184H175-W179 PolarHBondContact N-O 3.31Å; W179-E183 HydrophobicContact CE3-CB 4.33Å; W179-E183 HydrophobicContact CE3-CG 4.3Å; W179-E183 WeakPolarHBondContact CZ3-OE1 3.19Å; W179-L184 HydrophobicContact CB-CD1 3.76Å; W179-L184 HydrophobicContact CB-CG 4.21Å; W179-L184 HydrophobicContact CG-CD1 4.36Å
180E98.7Very high98.4Very high51 Ų5154.6 Ų54.624%0.23829%0.287CS..BIsolated β-bridgetrans-80157.5170.7-60.6-170.3134.900110.6K171 A173 R182 E183K171-E180 WeakPolarHBondContact O-CB 3.48Å; A173-E180 CarbonylContact O-C 3.47Å; A173-E180 VanDerWaalsContact O-CA 3.3Å; A173-E180 WeakPolarHBondContact O-CA 3.32Å; E180-R182 HydrophobicContact CB-CG 4.09Å; E180-R182 PolarHBondContact O-N 2.99Å; E180-R182 VanDerWaalsContact O-N 3.17Å; E180-R182 WeakPolarHBondContact OE2-CD 3.44Å; E180-R182 IonicContact OE2-CZ 3.41Å; E180-R182 IonicContact OE2-NE 2.68Å; E180-R182 PolarHBondContact OE2-NE 3Å; E180-R182 IonicContact OE2-NH2 3.9Å; E180-E183 VanDerWaalsContact CA-OE2 3.31Å; E180-E183 WeakPolarHBondContact CA-OE2 3.34Å; E180-E183 VanDerWaalsContact CB-OE2 3.23Å; E180-E183 WeakPolarHBondContact CB-OE2 3.4Å; E180-E183 PolarHBondContact N-OE2 2.76Å; E180-E183 PolarHBondContact O-N 2.81Å
181H98.8Very high98.4Very high2 Ų255.7 Ų55.71%0.00929%0.287CS..Hα-helixtrans-58-32.8179.9-172.166.2000112.5M169 P170 K171 A173 H175 E183 L184 H185M169-H181 WeakPolarHBondContact CB-NE2 3.28Å; M169-H181 HydrophobicContact CG-CB 4.19Å; P170-H181 WeakPolarHBondContact O-CB 3.49Å; K171-H181 PolarHBondContact O-N 3.03Å; A173-H181 HydrophobicContact CB-CB 4.16Å; A173-H181 PolarHBondContact O-N 2.9Å; H175-H181 AromaticContact CD2-ND1 3.97Å; H175-H181 AromaticContact CE1-ND1 3.7Å; H175-H181 AromaticContact NE2-CE1 3.99Å; H175-H181 AromaticContact NE2-CG 3.65Å; H175-H181 AromaticContact NE2-ND1 2.89Å; H175-H181 PolarHBondContact NE2-ND1 2.86Å; H181-E183 PolarHBondContact O-N 3.01Å; H181-E183 VanDerWaalsContact O-N 3.1Å; H181-L184 PolarHBondContact O-N 2.78Å; H181-H185 AromaticContact CD2-ND1 3.66Å; H181-H185 AromaticContact CE1-ND1 3.75Å; H181-H185 AromaticContact NE2-CE1 3.9Å; H181-H185 AromaticContact NE2-CG 3.64Å; H181-H185 AromaticContact NE2-ND1 2.83Å; H181-H185 PolarHBondContact NE2-ND1 3.41Å; H181-H185 WeakPolarHBondContact O-CA 3.23Å; H181-H185 WeakPolarHBondContact O-CB 3.37Å; H181-H185 PolarHBondContact O-N 2.94Å
182R98.6Very high98.4Very high138 Ų13850 Ų5052%0.52126%0.262SS..Hα-helixtrans-57.1-26.2177.273.3179.170.3-135.3-1113.9K171 E180K171-R182 HydrophobicContact CB-CB 4.14Å; K171-R182 HydrophobicContact CG-CB 4.32Å; K171-R182 PolarHBondContact O-N 2.9Å; K171-R182 VanDerWaalsContact O-N 3.11Å; E180-R182 HydrophobicContact CB-CG 4.09Å; E180-R182 PolarHBondContact O-N 2.99Å; E180-R182 VanDerWaalsContact O-N 3.17Å; E180-R182 WeakPolarHBondContact OE2-CD 3.44Å; E180-R182 IonicContact OE2-CZ 3.41Å; E180-R182 IonicContact OE2-NE 2.68Å; E180-R182 PolarHBondContact OE2-NE 3Å; E180-R182 IonicContact OE2-NH2 3.9Å
183E98.4Very high98.4Very high97 Ų9747.5 Ų47.545%0.45325%0.249SC..Hα-helixtrans-85.5-24-179.6-71142.1121.800112.2W179 E180 H181W179-E183 HydrophobicContact CE3-CB 4.33Å; W179-E183 HydrophobicContact CE3-CG 4.3Å; W179-E183 WeakPolarHBondContact CZ3-OE1 3.19Å; E180-E183 VanDerWaalsContact CA-OE2 3.31Å; E180-E183 WeakPolarHBondContact CA-OE2 3.34Å; E180-E183 VanDerWaalsContact CB-OE2 3.23Å; E180-E183 WeakPolarHBondContact CB-OE2 3.4Å; E180-E183 PolarHBondContact N-OE2 2.76Å; E180-E183 PolarHBondContact O-N 2.81Å; H181-E183 PolarHBondContact O-N 3.01Å; H181-E183 VanDerWaalsContact O-N 3.1Å
184L97.5Very high98.4Very high29 Ų2949.1 Ų49.115%0.15226%0.257CS..Hα-helixtrans-118.5-6.9-169.9-60.2179.1000114.4H175 W179 H181 N186 L187 Y188H175-L184 HydrophobicContact CB-CD1 3.69Å; W179-L184 HydrophobicContact CB-CD1 3.76Å; W179-L184 HydrophobicContact CB-CG 4.21Å; W179-L184 HydrophobicContact CG-CD1 4.36Å; H181-L184 PolarHBondContact O-N 2.78Å; L184-N186 PolarHBondContact O-N 2.91Å; L184-L187 HydrophobicContact CD2-CD1 4.42Å; L184-L187 WeakPolarHBondContact O-CA 3.49Å; L184-L187 WeakPolarHBondContact O-CB 3.49Å; L184-L187 PolarHBondContact O-N 2.98Å; L184-Y188 PolarHBondContact O-N 3.27Å
185H98.8Very high98.5Very high57 Ų5747.1 Ų47.126%0.26424%0.244SC..Hα-helixtrans-42.9-57.7-171.5179.174.9000113.1T168 H181 L187 Y188T168-H185 PolarHBondContact OG1-CE1 3.17Å; T168-H185 VanDerWaalsContact OG1-CE1 3.28Å; H181-H185 AromaticContact CD2-ND1 3.66Å; H181-H185 AromaticContact CE1-ND1 3.75Å; H181-H185 AromaticContact NE2-CE1 3.9Å; H181-H185 AromaticContact NE2-CG 3.64Å; H181-H185 AromaticContact NE2-ND1 2.83Å; H181-H185 PolarHBondContact NE2-ND1 3.41Å; H181-H185 WeakPolarHBondContact O-CA 3.23Å; H181-H185 WeakPolarHBondContact O-CB 3.37Å; H181-H185 PolarHBondContact O-N 2.94Å; H185-L187 PolarHBondContact O-N 3.35Å; H185-L187 VanDerWaalsContact O-N 3.17Å; H185-Y188 WeakPolarHBondContact O-CB 3.22Å; H185-Y188 PolarHBondContact O-N 2.79Å; H185-Y188 VanDerWaalsContact O-N 3.14Å
186N98.6Very high98.5Very high98 Ų9846.8 Ų46.852%0.52424%0.243SC..Hα-helixtrans-68.4-16.3-177.8-69.1-24.4000114.4L184 F218L184-N186 PolarHBondContact O-N 2.91Å; N186-F218 HydrophobicContact CB-CD2 3.73Å; N186-F218 HydrophobicContact CB-CE2 3.82Å
187L98.5Very high98.5Very high43 Ų4342.7 Ų42.723%0.22522%0.224CC..Hα-helixtrans-90.4-13.2177.2-70.7170.2000112.9L184 H185 G189 F190 Y191 F218L184-L187 HydrophobicContact CD2-CD1 4.42Å; L184-L187 WeakPolarHBondContact O-CA 3.49Å; L184-L187 WeakPolarHBondContact O-CB 3.49Å; L184-L187 PolarHBondContact O-N 2.98Å; H185-L187 PolarHBondContact O-N 3.35Å; H185-L187 VanDerWaalsContact O-N 3.17Å; L187-G189 PolarHBondContact O-N 2.79Å; L187-F190 HydrophobicContact CD2-CD1 4.12Å; L187-F190 WeakPolarHBondContact O-CB 3.38Å; L187-F190 PolarHBondContact O-N 2.69Å; L187-Y191 HydrophobicContact CB-CD2 4.02Å; L187-Y191 HydrophobicContact CB-CE2 3.81Å; L187-Y191 HydrophobicContact CD1-CE2 4.37Å; L187-Y191 WeakPolarHBondContact O-CD2 3.17Å; L187-Y191 PolarHBondContact O-N 2.85Å; L187-F218 HydrophobicContact CD2-CB 4.27Å; L187-F218 HydrophobicContact CD2-CD1 3.4Å; L187-F218 VanDerWaalsContact CD2-CD1 3.4Å; L187-F218 HydrophobicContact CD2-CE1 3.9Å; L187-F218 HydrophobicContact CD2-CG 3.93Å; L187-F218 HydrophobicContact CG-CD1 4.37Å
188Y98.9Very high98.6Very high6 Ų642.9 Ų42.92%0.02421%0.209CC..Hα-helixtrans-57-53.9-176.3-174.2-85.8000111.7P82 V103 L123 F125 N157 P159 L184 H185 F190 Y191 Q192P82-Y188 HydrophobicContact CB-CE1 3.79Å; P82-Y188 HydrophobicContact CG-CE1 3.87Å; V103-Y188 HydrophobicContact CG2-CE2 4.43Å; L123-Y188 WeakPolarHBondContact O-CE2 3.33Å; L123-Y188 VanDerWaalsContact O-CZ 3.31Å; L123-Y188 PolarHBondContact O-OH 3.34Å; F125-Y188 HydrophobicContact CD2-CE1 4.05Å; F125-Y188 HydrophobicContact CD2-CE2 4.17Å; F125-Y188 AromaticContact CD2-CZ 3.74Å; F125-Y188 HydrophobicContact CE2-CE1 4.48Å; N157-Y188 WeakPolarHBondContact O-CD1 3.35Å; P159-Y188 HydrophobicContact CB-CD1 3.93Å; P159-Y188 HydrophobicContact CB-CE1 3.57Å; P159-Y188 HydrophobicContact CG-CD1 4.01Å; P159-Y188 HydrophobicContact CG-CD2 4.45Å; P159-Y188 HydrophobicContact CG-CE1 3.94Å; P159-Y188 HydrophobicContact CG-CE2 4.38Å; P159-Y188 HydrophobicContact CG-CG 4.27Å; L184-Y188 PolarHBondContact O-N 3.27Å; H185-Y188 WeakPolarHBondContact O-CB 3.22Å; H185-Y188 PolarHBondContact O-N 2.79Å; H185-Y188 VanDerWaalsContact O-N 3.14Å; Y188-F190 PolarHBondContact O-N 2.81Å; Y188-Y191 PolarHBondContact O-N 2.62Å; Y188-Q192 PolarHBondContact O-N 2.93Å; Y188-Q192 VanDerWaalsContact O-N 3.16Å
189G98.6Very high98.7Very high0 Ų040.2 Ų40.20%018%0.182CC..Hα-helixtrans-63.3-39.5179.100000113.4N157 L187 Y191 Q192 H193N157-G189 WeakPolarHBondContact ND2-CA 3.46Å; N157-G189 PolarHBondContact ND2-O 3.01Å; N157-G189 WeakPolarHBondContact O-CA 3.34Å; N157-G189 PolarHBondContact O-N 3.45Å; L187-G189 PolarHBondContact O-N 2.79Å; G189-Y191 VanDerWaalsContact C-N 3.32Å; G189-Y191 PolarHBondContact O-N 2.94Å; G189-Q192 PolarHBondContact O-N 3.32Å; G189-H193 WeakPolarHBondContact O-CB 3.48Å; G189-H193 PolarHBondContact O-N 3.49Å
190F98.8Very high98.7Very high12 Ų1233.7 Ų33.75%0.05316%0.157CC..Hα-helixtrans-57.9-42.7174.5165.2-97.4000112.2L187 Y188 H193 M194 F218 S221 R223 L224L187-F190 HydrophobicContact CD2-CD1 4.12Å; L187-F190 WeakPolarHBondContact O-CB 3.38Å; L187-F190 PolarHBondContact O-N 2.69Å; Y188-F190 PolarHBondContact O-N 2.81Å; F190-H193 PolarHBondContact O-N 2.93Å; F190-M194 HydrophobicContact CD1-CE 4.31Å; F190-M194 HydrophobicContact CE1-CE 3.33Å; F190-M194 HydrophobicContact CE2-CE 4.17Å; F190-M194 HydrophobicContact CZ-CE 3.23Å; F190-M194 WeakPolarHBondContact O-CB 3.39Å; F190-M194 PolarHBondContact O-N 2.83Å; F190-F218 HydrophobicContact CB-CB 4Å; F190-F218 HydrophobicContact CG-CB 4.46Å; F190-S221 WeakPolarHBondContact CD2-OG 3.45Å; F190-R223 VanDerWaalsContact CZ-NH2 3.26Å; F190-L224 HydrophobicContact CD2-CD1 3.85Å; F190-L224 HydrophobicContact CE2-CD1 3.72Å
191Y98.9Very high98.7Very high57 Ų5732.6 Ų32.622%0.22415%0.154CC..Hα-helixtrans-73.5-32.2-180-76.4-53.3000113.7F125 L187 Y188 G189 M194 A195F125-Y191 WeakPolarHBondContact O-CB 3.48Å; L187-Y191 HydrophobicContact CB-CD2 4.02Å; L187-Y191 HydrophobicContact CB-CE2 3.81Å; L187-Y191 HydrophobicContact CD1-CE2 4.37Å; L187-Y191 WeakPolarHBondContact O-CD2 3.17Å; L187-Y191 PolarHBondContact O-N 2.85Å; Y188-Y191 PolarHBondContact O-N 2.62Å; G189-Y191 VanDerWaalsContact C-N 3.32Å; G189-Y191 PolarHBondContact O-N 2.94Å; Y191-M194 HydrophobicContact CD1-CE 4.21Å; Y191-M194 HydrophobicContact CD1-SD 4.33Å; Y191-M194 HydrophobicContact CE1-CE 4.36Å; Y191-A195 WeakPolarHBondContact O-CB 3.4Å; Y191-A195 PolarHBondContact O-N 2.89Å
192Q98.9Very high98.7Very high0 Ų036.2 Ų36.20%018%0.18CC..Hα-helixtrans-65.2-47.9169.2-176.4-172.710.100110.8S80 F125 Y134 N154 Y188 G189 M194 A195 T196S80-Q192 PolarHBondContact O-NE2 3.33Å; S80-Q192 VanDerWaalsContact O-NE2 3.13Å; F125-Q192 HydrophobicContact CD1-CB 4.05Å; F125-Q192 HydrophobicContact CD1-CG 4.45Å; F125-Q192 HydrophobicContact CD2-CB 3.92Å; F125-Q192 HydrophobicContact CD2-CG 4.46Å; F125-Q192 HydrophobicContact CE1-CB 4Å; F125-Q192 HydrophobicContact CE1-CG 3.88Å; F125-Q192 HydrophobicContact CE2-CB 3.87Å; F125-Q192 HydrophobicContact CE2-CG 3.9Å; F125-Q192 HydrophobicContact CG-CB 4.01Å; F125-Q192 HydrophobicContact CZ-CB 3.91Å; F125-Q192 HydrophobicContact CZ-CG 3.58Å; Y134-Q192 HydrophobicContact CE1-CG 4.27Å; Y134-Q192 PolarHBondContact OH-NE2 3.15Å; N154-Q192 PolarHBondContact ND2-NE2 3.03Å; Y188-Q192 PolarHBondContact O-N 2.93Å; Y188-Q192 VanDerWaalsContact O-N 3.16Å; G189-Q192 PolarHBondContact O-N 3.32Å; Q192-M194 PolarHBondContact O-N 3.29Å; Q192-A195 PolarHBondContact O-N 3.06Å; Q192-A195 VanDerWaalsContact O-N 3.1Å; Q192-T196 PolarHBondContact O-N 3.16Å; Q192-T196 PolarHBondContact O-OG1 3.3Å
193H98.9Very high98.7Very high0 Ų031.3 Ų31.30%016%0.162CC..Hα-helixtrans-55-40.8178.9-170.2-168.8000111.1G189 F190 A197 V212 T214 L224 G225G189-H193 WeakPolarHBondContact O-CB 3.48Å; G189-H193 PolarHBondContact O-N 3.49Å; F190-H193 PolarHBondContact O-N 2.93Å; H193-A197 WeakPolarHBondContact O-CB 3.38Å; H193-A197 PolarHBondContact O-N 2.95Å; H193-V212 VanDerWaalsContact CD2-CG1 3.46Å; H193-V212 WeakPolarHBondContact CD2-CG1 3.25Å; H193-V212 PolarHBondContact NE2-O 3.18Å; H193-V212 VanDerWaalsContact NE2-O 3.12Å; H193-T214 HydrophobicContact CB-CG2 4.19Å; H193-T214 VanDerWaalsContact CE1-CG2 3.41Å; H193-T214 WeakPolarHBondContact CE1-CG2 3.45Å; H193-T214 WeakPolarHBondContact ND1-CG2 3.27Å; H193-L224 HydrophobicContact CB-CD1 4.06Å; H193-L224 WeakPolarHBondContact ND1-CB 3.18Å; H193-L224 PolarHBondContact NE2-O 3.07Å; H193-G225 PolarHBondContact CE1-N 3.17Å
194M98.9Very high98.7Very high37 Ų3728.3 Ų28.318%0.18215%0.151CC..Hα-helixtrans-62.8-53175.4-178.4-173.1-61.900111.7F190 Y191 Q192 T196 A197 D198 L224F190-M194 HydrophobicContact CD1-CE 4.31Å; F190-M194 HydrophobicContact CE1-CE 3.33Å; F190-M194 HydrophobicContact CE2-CE 4.17Å; F190-M194 HydrophobicContact CZ-CE 3.23Å; F190-M194 WeakPolarHBondContact O-CB 3.39Å; F190-M194 PolarHBondContact O-N 2.83Å; Y191-M194 HydrophobicContact CD1-CE 4.21Å; Y191-M194 HydrophobicContact CD1-SD 4.33Å; Y191-M194 HydrophobicContact CE1-CE 4.36Å; Q192-M194 PolarHBondContact O-N 3.29Å; M194-T196 VanDerWaalsContact C-N 3.27Å; M194-T196 PolarHBondContact O-N 2.82Å; M194-A197 PolarHBondContact O-N 2.77Å; M194-D198 WeakPolarHBondContact O-CB 3.41Å; M194-D198 VanDerWaalsContact O-CG 3.31Å; M194-D198 PolarHBondContact O-N 2.8Å; M194-L224 HydrophobicContact CB-CD1 3.84Å; M194-L224 HydrophobicContact CB-CD2 4.19Å; M194-L224 HydrophobicContact CG-CD2 4.3Å
195A98.9Very high98.7Very high0 Ų030.5 Ų30.50%018%0.181CC..Hα-helixtrans-60.6-37.6-178.700000112.2F125 R131 Y134 S135 Y191 Q192 G199F125-A195 HydrophobicContact CD1-CB 4.23Å; F125-A195 HydrophobicContact CE1-CB 4.23Å; R131-A195 HydrophobicContact CB-CB 3.9Å; R131-A195 HydrophobicContact CG-CB 4.08Å; Y134-A195 HydrophobicContact CD1-CB 3.83Å; S135-A195 WeakPolarHBondContact CB-O 3.43Å; S135-A195 PolarHBondContact OG-O 3.33Å; Y191-A195 WeakPolarHBondContact O-CB 3.4Å; Y191-A195 PolarHBondContact O-N 2.89Å; Q192-A195 PolarHBondContact O-N 3.06Å; Q192-A195 VanDerWaalsContact O-N 3.1Å; A195-G199 PolarHBondContact O-N 2.86Å
196T98.9Very high98.6Very high0 Ų029 Ų290%018%0.181CC..Hα-helixtrans-65.7-49.4174.6-54.10000111.5Y138 V152 N154 Q192 M194 D198 G199 L200 V212Y138-T196 HydrophobicContact CE1-CG2 4.46Å; Y138-T196 HydrophobicContact CE2-CG2 4.01Å; V152-T196 HydrophobicContact CB-CG2 3.7Å; V152-T196 HydrophobicContact CG1-CG2 3.52Å; V152-T196 HydrophobicContact CG2-CG2 4.22Å; N154-T196 PolarHBondContact ND2-OG1 2.86Å; N154-T196 VanDerWaalsContact OD1-CB 3.26Å; N154-T196 WeakPolarHBondContact OD1-CB 3.32Å; N154-T196 PolarHBondContact OD1-OG1 3.04Å; Q192-T196 PolarHBondContact O-N 3.16Å; Q192-T196 PolarHBondContact O-OG1 3.3Å; M194-T196 VanDerWaalsContact C-N 3.27Å; M194-T196 PolarHBondContact O-N 2.82Å; T196-D198 VanDerWaalsContact C-N 3.31Å; T196-D198 PolarHBondContact O-N 3.47Å; T196-G199 PolarHBondContact O-N 3.17Å; T196-G199 VanDerWaalsContact O-N 3.12Å; T196-L200 WeakPolarHBondContact O-CG 3.39Å; T196-L200 PolarHBondContact O-N 2.97Å; T196-V212 HydrophobicContact CG2-CB 4.36Å; T196-V212 HydrophobicContact CG2-CG1 3.71Å; T196-V212 HydrophobicContact CG2-CG2 3.64Å
197A98.9Very high98.5Very high3 Ų327 Ų273%0.02517%0.174CC..Hα-helixtrans-60.7-41179.400000111.8H193 M194 G199 L200 T201 P210 V212 L224H193-A197 WeakPolarHBondContact O-CB 3.38Å; H193-A197 PolarHBondContact O-N 2.95Å; M194-A197 PolarHBondContact O-N 2.77Å; A197-G199 VanDerWaalsContact C-N 3.34Å; A197-L200 PolarHBondContact O-N 3.43Å; A197-T201 WeakPolarHBondContact O-CB 3.38Å; A197-T201 PolarHBondContact O-N 3.21Å; A197-T201 PolarHBondContact O-OG1 3.33Å; A197-P210 HydrophobicContact CB-CB 4.22Å; A197-P210 HydrophobicContact CB-CG 4.11Å; A197-V212 HydrophobicContact CB-CG2 4.22Å; A197-L224 HydrophobicContact CB-CB 4.49Å
198D98.9Very high98.6Very high73 Ų7328 Ų2839%0.3918%0.177SC..Hα-helixtrans-63.7-39.8174.5-72.5-15.7000111.5M194 T196 T201 S202M194-D198 WeakPolarHBondContact O-CB 3.41Å; M194-D198 VanDerWaalsContact O-CG 3.31Å; M194-D198 PolarHBondContact O-N 2.8Å; T196-D198 VanDerWaalsContact C-N 3.31Å; T196-D198 PolarHBondContact O-N 3.47Å; D198-T201 PolarHBondContact O-N 3.24Å; D198-S202 WeakPolarHBondContact O-CB 3.34Å; D198-S202 PolarHBondContact O-N 2.63Å; D198-S202 PolarHBondContact O-OG 3.5Å
199G98.9Very high98.5Very high0 Ų027.8 Ų27.80%018%0.177CC..Hα-helixtrans-62.4-46.3175.200000112.9S135 A195 T196 A197 T201 S202 R203S135-G199 VanDerWaalsContact O-CA 3.28Å; S135-G199 WeakPolarHBondContact O-CA 3.36Å; A195-G199 PolarHBondContact O-N 2.86Å; T196-G199 PolarHBondContact O-N 3.17Å; T196-G199 VanDerWaalsContact O-N 3.12Å; A197-G199 VanDerWaalsContact C-N 3.34Å; G199-T201 VanDerWaalsContact C-N 3.34Å; G199-T201 PolarHBondContact O-N 3.44Å; G199-S202 PolarHBondContact O-N 3.07Å; G199-R203 WeakPolarHBondContact O-CB 3.42Å; G199-R203 WeakPolarHBondContact O-CG 3.37Å; G199-R203 PolarHBondContact O-N 2.82Å
200L98.9Very high98.6Very high4 Ų429 Ų292%0.02119%0.185CC..Hα-helixtrans-67.4-33.8177.8-61.7-172.3000113.1Y138 F151 V152 T196 A197 R203 P210 F211 V212Y138-L200 HydrophobicContact CD1-CD2 4.18Å; Y138-L200 HydrophobicContact CG-CD2 4.43Å; F151-L200 HydrophobicContact CD1-CD1 4.24Å; V152-L200 HydrophobicContact CB-CD1 4.24Å; V152-L200 HydrophobicContact CG2-CD1 4.09Å; V152-L200 HydrophobicContact CG2-CD2 3.76Å; V152-L200 HydrophobicContact CG2-CG 4.33Å; T196-L200 WeakPolarHBondContact O-CG 3.39Å; T196-L200 PolarHBondContact O-N 2.97Å; A197-L200 PolarHBondContact O-N 3.43Å; L200-R203 VanDerWaalsContact CD2-CZ 3.4Å; L200-R203 VanDerWaalsContact O-CG 3.29Å; L200-R203 WeakPolarHBondContact O-CG 3.35Å; L200-P210 HydrophobicContact CB-CB 3.95Å; L200-P210 HydrophobicContact CD1-CB 4.39Å; L200-F211 VanDerWaalsContact CD1-O 3.31Å; L200-F211 WeakPolarHBondContact CD1-O 3.29Å; L200-V212 HydrophobicContact CD1-CG2 3.63Å; L200-V212 HydrophobicContact CG-CG2 4.47Å
201T98.8Very high98.6Very high29 Ų2928.5 Ų28.518%0.17818%0.182CC..Hα-helixtrans-70.5-46.2174.5-56.70000110.8A197 D198 G199 S204 G206 P210 F465A197-T201 WeakPolarHBondContact O-CB 3.38Å; A197-T201 PolarHBondContact O-N 3.21Å; A197-T201 PolarHBondContact O-OG1 3.33Å; D198-T201 PolarHBondContact O-N 3.24Å; G199-T201 VanDerWaalsContact C-N 3.34Å; G199-T201 PolarHBondContact O-N 3.44Å; T201-S204 PolarHBondContact O-N 3.49Å; T201-S204 PolarHBondContact O-OG 3.46Å; T201-G206 WeakPolarHBondContact O-CA 3.16Å; T201-G206 PolarHBondContact O-N 3.2Å; T201-P210 WeakPolarHBondContact OG1-CD 3.3Å; T201-F465 HydrophobicContact CG2-CE2 3.85Å
202S98.4Very high98.6Very high78 Ų7825.8 Ų25.855%0.54517%0.172SC..Hα-helixtrans-70.6-35.7-174.7-58.40000112.8D198 G199 S204 G205D198-S202 WeakPolarHBondContact O-CB 3.34Å; D198-S202 PolarHBondContact O-N 2.63Å; D198-S202 PolarHBondContact O-OG 3.5Å; G199-S202 PolarHBondContact O-N 3.07Å; S202-S204 PolarHBondContact O-N 2.94Å; S202-S204 VanDerWaalsContact O-N 3.16Å; S202-G205 PolarHBondContact O-N 3.1Å
203R98.3Very high98.6Very high35 Ų3525.8 Ų25.813%0.13217%0.172CC..THydrogen-bonded Turntrans-63.5-19.617872178.1-174.5170.65.2113.3Y138 F140 L150 G199 L200Y138-R203 VanDerWaalsContact O-CD 3.31Å; Y138-R203 WeakPolarHBondContact O-CD 3.38Å; F140-R203 HydrophobicContact CE2-CB 4.4Å; F140-R203 HydrophobicContact CE2-CG 4.4Å; F140-R203 WeakPolarHBondContact CE2-O 3.43Å; F140-R203 HydrophobicContact CZ-CB 4.5Å; F140-R203 HydrophobicContact CZ-CG 4.07Å; L150-R203 PolarHBondContact O-NH1 2.78Å; L150-R203 PolarHBondContact O-NH2 2.86Å; G199-R203 WeakPolarHBondContact O-CB 3.42Å; G199-R203 WeakPolarHBondContact O-CG 3.37Å; G199-R203 PolarHBondContact O-N 2.82Å; L200-R203 VanDerWaalsContact CD2-CZ 3.4Å; L200-R203 VanDerWaalsContact O-CG 3.29Å; L200-R203 WeakPolarHBondContact O-CG 3.35Å
204S97.6Very high98.6Very high34 Ų3425.8 Ų25.824%0.23817%0.172CC..THydrogen-bonded Turntrans-93.13.2173.995.40000112.9T201 S202 G206 S207 E208T201-S204 PolarHBondContact O-N 3.49Å; T201-S204 PolarHBondContact O-OG 3.46Å; S202-S204 PolarHBondContact O-N 2.94Å; S202-S204 VanDerWaalsContact O-N 3.16Å; S204-G206 VanDerWaalsContact C-N 3.3Å; S204-S207 PolarHBondContact O-OG 3.17Å; S204-S207 PolarHBondContact OG-N 2.95Å; S204-S207 VanDerWaalsContact OG-N 3.11Å; S204-S207 PolarHBondContact OG-OG 3.34Å; S204-E208 WeakPolarHBondContact OG-CB 3.49Å; S204-E208 PolarHBondContact OG-N 2.98Å
205G97.5Very high98.6Very high75 Ų7526 Ų2677%0.77317%0.17SC*.THydrogen-bonded Turntrans73.720.2-170.800000113.7S202S202-G205 PolarHBondContact O-N 3.1Å
206G97.4Very high98.5Very high25 Ų2526.8 Ų26.826%0.25818%0.176SC..THydrogen-bonded Turntrans84.77.2179.300000115.1T201 S204 F465T201-G206 WeakPolarHBondContact O-CA 3.16Å; T201-G206 PolarHBondContact O-N 3.2Å; S204-G206 VanDerWaalsContact C-N 3.3Å; G206-F465 WeakPolarHBondContact O-CD2 3.44Å
207S97.7Very high98.5Very high55 Ų5530.3 Ų30.339%0.38519%0.192SC..  trans-84.1-32.5-178.864.30000114.6S204 S464 F465S204-S207 PolarHBondContact O-OG 3.17Å; S204-S207 PolarHBondContact OG-N 2.95Å; S204-S207 VanDerWaalsContact OG-N 3.11Å; S204-S207 PolarHBondContact OG-OG 3.34Å; S207-S464 CarbonylContact O-C 3.31Å; S207-S464 WeakPolarHBondContact O-CA 3.4Å; S207-S464 VanDerWaalsContact O-CB 3.31Å; S207-S464 WeakPolarHBondContact O-CB 3.49Å; S207-F465 PolarHBondContact O-N 3.01Å
208E98.6Very high98.5Very high64 Ų6434.2 Ų34.230%0.29921%0.208SC..BIsolated β-bridgetrans-103.4139-169.6-66.3-60.414700111.3S204 H463 F465S204-E208 WeakPolarHBondContact OG-CB 3.49Å; S204-E208 PolarHBondContact OG-N 2.98Å; E208-H463 VanDerWaalsContact CD-ND1 3.31Å; E208-H463 IonicContact OE1-CE1 3.23Å; E208-H463 PolarHBondContact OE1-CE1 3.47Å; E208-H463 IonicContact OE1-ND1 2.76Å; E208-H463 PolarHBondContact OE1-ND1 3.12Å; E208-H463 VanDerWaalsContact OE1-ND1 3.16Å; E208-H463 IonicContact OE2-CE1 2.75Å; E208-H463 IonicContact OE2-CG 2.71Å; E208-H463 IonicContact OE2-ND1 3.01Å; E208-H463 PolarHBondContact OE2-ND1 3.36Å; E208-F465 VanDerWaalsContact O-CE2 3.25Å; E208-F465 WeakPolarHBondContact O-CE2 3.43Å
209R98.8Very high98.5Very high3 Ų334.5 Ų34.51%0.01122%0.221CC..PPolyproline II helixtrans-74.3136.9174.6-59.9-173.3-54.8-12118.6110.1M1 P2 Y325 D460 G462 H463 S464 F465M1-R209 WeakPolarHBondContact O-CD 2.88Å; P2-R209 PolarHBondContact O-NH2 2.79Å; R209-Y325 PolarHBondContact NH2-OH 3.14Å; R209-D460 IonicContact CZ-OD2 3.6Å; R209-D460 IonicContact NH1-OD2 3.27Å; R209-D460 PolarHBondContact NH1-OD2 2.99Å; R209-D460 IonicContact NH2-OD2 4Å; R209-G462 PolarHBondContact NH2-O 2.69Å; R209-G462 VanDerWaalsContact NH2-O 3.12Å; R209-H463 VanDerWaalsContact CB-O 3.26Å; R209-H463 WeakPolarHBondContact CB-O 3.24Å; R209-H463 WeakPolarHBondContact CG-O 3.32Å; R209-H463 PolarHBondContact N-O 2.97Å; R209-S464 WeakPolarHBondContact CD-O 3.23Å; R209-S464 PolarHBondContact NH1-O 3.33Å; R209-F465 HydrophobicContact CB-CE2 4.46Å; R209-F465 HydrophobicContact CB-CZ 4.31Å; R209-F465 HydrophobicContact CG-CD1 3.9Å; R209-F465 HydrophobicContact CG-CD2 4.16Å; R209-F465 HydrophobicContact CG-CE1 3.79Å; R209-F465 HydrophobicContact CG-CE2 4.06Å; R209-F465 HydrophobicContact CG-CG 4.1Å; R209-F465 HydrophobicContact CG-CZ 3.88Å
210P98.8Very high98.4Very high25 Ų2534.8 Ų34.816%0.16222%0.223CC..PPolyproline II helixtrans-73.1153.5177.331.9-35000110.8A197 L200 T201A197-P210 HydrophobicContact CB-CB 4.22Å; A197-P210 HydrophobicContact CB-CG 4.11Å; L200-P210 HydrophobicContact CB-CB 3.95Å; L200-P210 HydrophobicContact CD1-CB 4.39Å; T201-P210 WeakPolarHBondContact OG1-CD 3.3Å
211F98.9Very high98.4Very high1 Ų134.6 Ų34.60%0.00422%0.223CC..  trans-124.1117.8157.2173-101.3000107.7P3 F5 H10 W40 V77 F151 V152 L200 L213 A226 F256 F285P3-F211 HydrophobicContact CG-CB 3.98Å; F5-F211 HydrophobicContact CE2-CB 4.43Å; F5-F211 HydrophobicContact CE2-CD1 4.4Å; F5-F211 HydrophobicContact CE2-CG 4.39Å; F5-F211 HydrophobicContact CZ-CB 3.77Å; F5-F211 HydrophobicContact CZ-CD1 4.48Å; F5-F211 HydrophobicContact CZ-CG 4.2Å; H10-F211 AromaticContact CE1-CZ 3.72Å; W40-F211 AromaticContact CH2-CE1 3.86Å; W40-F211 HydrophobicContact CH2-CE1 3.86Å; W40-F211 HydrophobicContact CH2-CZ 4.05Å; W40-F211 AromaticContact CZ2-CE1 3.72Å; W40-F211 HydrophobicContact CZ2-CE1 3.72Å; W40-F211 AromaticContact CZ2-CZ 3.91Å; W40-F211 HydrophobicContact CZ2-CZ 3.91Å; V77-F211 HydrophobicContact CG2-CD1 3.93Å; V77-F211 HydrophobicContact CG2-CE1 3.76Å; F151-F211 HydrophobicContact CB-CB 4.29Å; F151-F211 HydrophobicContact CB-CD1 3.94Å; F151-F211 HydrophobicContact CD1-CB 3.59Å; F151-F211 HydrophobicContact CE1-CB 4.15Å; F151-F211 HydrophobicContact CG-CB 4.08Å; F151-F211 HydrophobicContact CG-CD1 4.47Å; V152-F211 PolarHBondContact N-O 3.02Å; L200-F211 VanDerWaalsContact CD1-O 3.31Å; L200-F211 WeakPolarHBondContact CD1-O 3.29Å; F211-L213 HydrophobicContact CZ-CB 4.37Å; F211-A226 HydrophobicContact CE2-CB 4.1Å; F211-F256 HydrophobicContact CD2-CE2 4.18Å; F211-F256 AromaticContact CE2-CE2 3.99Å; F211-F256 HydrophobicContact CE2-CE2 3.99Å; F211-F256 HydrophobicContact CE2-CZ 4.09Å; F211-F285 HydrophobicContact CE2-CE2 4.35Å; F211-F285 AromaticContact CZ-CE2 3.88Å; F211-F285 HydrophobicContact CZ-CE2 3.88Å
212V98.9Very high98.4Very high0 Ų037.6 Ų37.60%024%0.235CC..EExtended strand (participates in β ladder)trans-134.5122.7174.3-171.10000108.5V152 N154 H193 T196 A197 L200 G225 A226V152-V212 VanDerWaalsContact O-CA 3.29Å; V152-V212 WeakPolarHBondContact O-CA 3.21Å; N154-V212 WeakPolarHBondContact OD1-CG1 3.48Å; H193-V212 VanDerWaalsContact CD2-CG1 3.46Å; H193-V212 WeakPolarHBondContact CD2-CG1 3.25Å; H193-V212 PolarHBondContact NE2-O 3.18Å; H193-V212 VanDerWaalsContact NE2-O 3.12Å; T196-V212 HydrophobicContact CG2-CB 4.36Å; T196-V212 HydrophobicContact CG2-CG1 3.71Å; T196-V212 HydrophobicContact CG2-CG2 3.64Å; A197-V212 HydrophobicContact CB-CG2 4.22Å; L200-V212 HydrophobicContact CD1-CG2 3.63Å; L200-V212 HydrophobicContact CG-CG2 4.47Å; V212-G225 WeakPolarHBondContact O-CA 3.29Å; V212-A226 PolarHBondContact O-N 3.34Å
213L98.9Very high98.4Very high0 Ų041.6 Ų41.60%024%0.238CC..EExtended strand (participates in β ladder)trans-88.9136.1167-17971.3000108.9W40 V152 W153 N154 F211 A226 W228 F285W40-L213 HydrophobicContact CH2-CB 3.66Å; W40-L213 HydrophobicContact CH2-CD2 3.42Å; W40-L213 VanDerWaalsContact CH2-CD2 3.42Å; W40-L213 HydrophobicContact CH2-CG 4.13Å; W40-L213 HydrophobicContact CZ3-CB 4.12Å; W40-L213 HydrophobicContact CZ3-CD2 3.53Å; W40-L213 HydrophobicContact CZ3-CG 4.45Å; V152-L213 PolarHBondContact O-N 3.04Å; W153-L213 CarbonylContact C-O 3.46Å; W153-L213 WeakPolarHBondContact CA-O 3.36Å; W153-L213 HydrophobicContact CG-CD2 4.43Å; N154-L213 PolarHBondContact N-O 2.86Å; F211-L213 HydrophobicContact CZ-CB 4.37Å; L213-A226 WeakPolarHBondContact CA-O 3.5Å; L213-A226 HydrophobicContact CD1-CB 3.73Å; L213-W228 HydrophobicContact CD1-CB 4.34Å; L213-W228 HydrophobicContact CD1-CE3 3.74Å; L213-W228 HydrophobicContact CD1-CZ3 4.5Å; L213-W228 HydrophobicContact CD2-CD2 3.99Å; L213-W228 HydrophobicContact CD2-CE3 3.43Å; L213-W228 VanDerWaalsContact CD2-CE3 3.43Å; L213-W228 HydrophobicContact CD2-CZ3 3.79Å; L213-W228 HydrophobicContact CG-CD2 4.38Å; L213-W228 HydrophobicContact CG-CE3 3.41Å; L213-W228 VanDerWaalsContact CG-CE3 3.41Å; L213-W228 HydrophobicContact CG-CZ3 3.74Å; L213-F285 HydrophobicContact CD1-CD1 4.1Å; L213-F285 HydrophobicContact CD1-CE1 3.64Å; L213-F285 HydrophobicContact CD1-CE2 4.46Å; L213-F285 HydrophobicContact CD1-CZ 3.84Å; L213-F285 HydrophobicContact CD2-CE1 3.92Å; L213-F285 HydrophobicContact CD2-CZ 3.88Å; L213-F285 HydrophobicContact CG-CE1 4.44Å; L213-F285 HydrophobicContact CG-CZ 4.4Å
214T98.9Very high98.4Very high0 Ų040.7 Ų40.70%024%0.236CC..EExtended strand (participates in β ladder)trans-130.7148.6175.5-163.40000112.9N154 N157 H193 S216 F217 A226 I227 W228N154-T214 VanDerWaalsContact O-CA 3.3Å; N154-T214 WeakPolarHBondContact O-CA 3.41Å; N157-T214 PolarHBondContact ND2-OG1 3.28Å; H193-T214 HydrophobicContact CB-CG2 4.19Å; H193-T214 VanDerWaalsContact CE1-CG2 3.41Å; H193-T214 WeakPolarHBondContact CE1-CG2 3.45Å; H193-T214 WeakPolarHBondContact ND1-CG2 3.27Å; T214-S216 WeakPolarHBondContact CG2-O 3.39Å; T214-S216 PolarHBondContact OG1-O 2.95Å; T214-F217 HydrophobicContact CG2-CB 4.4Å; T214-A226 PolarHBondContact N-O 2.96Å; T214-I227 HydrophobicContact CG2-CG2 3.67Å; T214-I227 VanDerWaalsContact O-CA 3.32Å; T214-I227 WeakPolarHBondContact O-CA 3.33Å; T214-I227 WeakPolarHBondContact O-CB 3.19Å; T214-W228 WeakPolarHBondContact O-CZ3 3.32Å
215R98.8Very high98.4Very high41 Ų4140 Ų4016%0.15523%0.233CC..SBendtrans-85.4-57.6176.8-162.116665.9-171.312.6111.7N154 D155 M156 N157 E158 F217 W228N154-R215 PolarHBondContact O-N 3.02Å; D155-R215 WeakPolarHBondContact OD1-CD 3.38Å; D155-R215 IonicContact OD1-CZ 3.2Å; D155-R215 IonicContact OD1-NE 2.99Å; D155-R215 PolarHBondContact OD1-NE 3.29Å; D155-R215 VanDerWaalsContact OD1-NE 3.13Å; D155-R215 IonicContact OD1-NH1 2.9Å; D155-R215 PolarHBondContact OD1-NH1 3.27Å; D155-R215 IonicContact OD2-NH1 3.06Å; D155-R215 PolarHBondContact OD2-NH1 2.85Å; M156-R215 VanDerWaalsContact SD-CZ 3.53Å; M156-R215 PolarHBondContact SD-NH1 3.17Å; M156-R215 PolarHBondContact SD-NH2 3.05Å; N157-R215 PolarHBondContact OD1-N 3.31Å; E158-R215 IonicContact OE1-CZ 3.04Å; E158-R215 IonicContact OE1-NE 3.85Å; E158-R215 PolarHBondContact OE1-NE 3.17Å; E158-R215 IonicContact OE1-NH2 3.67Å; E158-R215 PolarHBondContact OE1-NH2 3.23Å; E158-R215 IonicContact OE2-CZ 3.84Å; E158-R215 IonicContact OE2-NE 2.67Å; E158-R215 IonicContact OE2-NH2 2.6Å; E158-R215 PolarHBondContact OE2-NH2 3.45Å; R215-F217 VanDerWaalsContact O-CD1 3.29Å; R215-F217 WeakPolarHBondContact O-CD1 3.45Å; R215-W228 HydrophobicContact CB-CE3 4.5Å; R215-W228 HydrophobicContact CB-CH2 3.43Å; R215-W228 VanDerWaalsContact CB-CH2 3.43Å; R215-W228 HydrophobicContact CB-CZ2 4.12Å; R215-W228 HydrophobicContact CB-CZ3 3.69Å; R215-W228 HydrophobicContact CG-CH2 3.81Å; R215-W228 HydrophobicContact CG-CZ2 3.98Å; R215-W228 HydrophobicContact CG-CZ3 4.29Å; R215-W228 VanDerWaalsContact N-CZ3 3.3Å
216S98.4Very high98.5Very high18 Ų1836.4 Ų36.413%0.12620%0.196CC..SBendtrans-86.2136.8176.8179.30000110.9N157 T214N157-S216 PolarHBondContact ND2-O 3.24Å; N157-S216 VanDerWaalsContact O-CB 3.32Å; N157-S216 WeakPolarHBondContact O-CB 3.07Å; N157-S216 WeakPolarHBondContact OD1-CB 3.49Å; N157-S216 PolarHBondContact OD1-N 3.24Å; T214-S216 WeakPolarHBondContact CG2-O 3.39Å; T214-S216 PolarHBondContact OG1-O 2.95Å
217F98.7Very high98.5Very high73 Ų7335.3 Ų35.332%0.3219%0.185SC..  trans-148.9165.8-175.159.2-93.9000111.8T214 R215 S221 I227 L249 I254T214-F217 HydrophobicContact CG2-CB 4.4Å; R215-F217 VanDerWaalsContact O-CD1 3.29Å; R215-F217 WeakPolarHBondContact O-CD1 3.45Å; F217-S221 WeakPolarHBondContact CA-OG 3.36Å; F217-S221 WeakPolarHBondContact CB-OG 3.22Å; F217-I227 HydrophobicContact CB-CG2 4.01Å; F217-I227 HydrophobicContact CD1-CB 3.99Å; F217-I227 HydrophobicContact CD1-CD1 4.39Å; F217-I227 HydrophobicContact CD1-CG1 4.07Å; F217-I227 HydrophobicContact CD1-CG2 3.85Å; F217-I227 HydrophobicContact CE1-CB 4.42Å; F217-I227 HydrophobicContact CE1-CD1 3.96Å; F217-I227 HydrophobicContact CE1-CG1 4.1Å; F217-I227 HydrophobicContact CG-CG2 4.06Å; F217-L249 HydrophobicContact CE1-CD2 4.36Å; F217-L249 HydrophobicContact CE2-CD2 3.79Å; F217-L249 HydrophobicContact CZ-CD2 3.5Å; F217-L249 VanDerWaalsContact CZ-CD2 3.5Å; F217-I254 HydrophobicContact CD2-CG1 4.38Å; F217-I254 HydrophobicContact CE2-CG1 4.48Å
218F98.6Very high98.6Very high85 Ų8532.8 Ų32.837%0.37317%0.167SC..  trans-140.8177.4175.1-160.4-112.3000111N186 L187 F190 G220 S221N186-F218 HydrophobicContact CB-CD2 3.73Å; N186-F218 HydrophobicContact CB-CE2 3.82Å; L187-F218 HydrophobicContact CD2-CB 4.27Å; L187-F218 HydrophobicContact CD2-CD1 3.4Å; L187-F218 VanDerWaalsContact CD2-CD1 3.4Å; L187-F218 HydrophobicContact CD2-CE1 3.9Å; L187-F218 HydrophobicContact CD2-CG 3.93Å; L187-F218 HydrophobicContact CG-CD1 4.37Å; F190-F218 HydrophobicContact CB-CB 4Å; F190-F218 HydrophobicContact CG-CB 4.46Å; F218-G220 PolarHBondContact O-N 3.39Å; F218-G220 VanDerWaalsContact O-N 3.08Å; F218-S221 PolarHBondContact N-OG 3.11Å; F218-S221 WeakPolarHBondContact O-CB 3.33Å; F218-S221 PolarHBondContact O-N 3.26Å; F218-S221 PolarHBondContact O-OG 2.86Å
219A98.3Very high98.6Very high80 Ų8031.2 Ų31.266%0.66116%0.162SC*.THydrogen-bonded Turntrans-53.8117.8170.500000110.3
220G97.8Very high98.5Very high5 Ų531.4 Ų31.45%0.05217%0.165CC..THydrogen-bonded Turntrans109.3-13.9-175.300000115.2F218 Q222 R223F218-G220 PolarHBondContact O-N 3.39Å; F218-G220 VanDerWaalsContact O-N 3.08Å; G220-Q222 PolarHBondContact O-N 3.46Å; G220-Q222 PolarHBondContact O-OE1 3.4Å; G220-R223 WeakPolarHBondContact O-CB 3.45Å; G220-R223 WeakPolarHBondContact O-CG 3.19Å; G220-R223 PolarHBondContact O-N 3.22Å; G220-R223 VanDerWaalsContact O-N 3.15Å; G220-R223 PolarHBondContact O-NH1 3.04Å
221S98.6Very high98.5Very high1 Ų134.2 Ų34.21%0.00718%0.178CC..G310 helixtrans-60.4-22.7177.4-73.50000113.7F190 F217 F218 R223 L224F190-S221 WeakPolarHBondContact CD2-OG 3.45Å; F217-S221 WeakPolarHBondContact CA-OG 3.36Å; F217-S221 WeakPolarHBondContact CB-OG 3.22Å; F218-S221 PolarHBondContact N-OG 3.11Å; F218-S221 WeakPolarHBondContact O-CB 3.33Å; F218-S221 PolarHBondContact O-N 3.26Å; F218-S221 PolarHBondContact O-OG 2.86Å; S221-R223 PolarHBondContact O-N 2.9Å; S221-L224 WeakPolarHBondContact O-CB 3.29Å; S221-L224 PolarHBondContact O-N 3.21Å
222Q98.3Very high98.5Very high91 Ų9134.4 Ų34.443%0.42518%0.179SC..G310 helixtrans-59.6-17.5175.274.6-80.215.400114.1G220 L224 G253 I254G220-Q222 PolarHBondContact O-N 3.46Å; G220-Q222 PolarHBondContact O-OE1 3.4Å; Q222-L224 VanDerWaalsContact C-N 3.27Å; Q222-G253 WeakPolarHBondContact CB-O 3.42Å; Q222-G253 WeakPolarHBondContact CG-O 3.28Å; Q222-I254 HydrophobicContact CB-CD1 4.14Å
223R97.9Very high98.5Very high162 Ų16235.5 Ų35.561%0.61119%0.186SC*.G310 helixtrans-75.2-17.5175.3-60.8-170.8-58.5-87.5-4.4113.2F190 G220 S221F190-R223 VanDerWaalsContact CZ-NH2 3.26Å; G220-R223 WeakPolarHBondContact O-CB 3.45Å; G220-R223 WeakPolarHBondContact O-CG 3.19Å; G220-R223 PolarHBondContact O-N 3.22Å; G220-R223 VanDerWaalsContact O-N 3.15Å; G220-R223 PolarHBondContact O-NH1 3.04Å; S221-R223 PolarHBondContact O-N 2.9Å
224L98.5Very high98.5Very high17 Ų1735.9 Ų35.99%0.08919%0.189CC..THydrogen-bonded Turntrans-111.7-22.5-159.7-55.1175.7000113.3F190 H193 M194 A197 S221 Q222F190-L224 HydrophobicContact CD2-CD1 3.85Å; F190-L224 HydrophobicContact CE2-CD1 3.72Å; H193-L224 HydrophobicContact CB-CD1 4.06Å; H193-L224 WeakPolarHBondContact ND1-CB 3.18Å; H193-L224 PolarHBondContact NE2-O 3.07Å; M194-L224 HydrophobicContact CB-CD1 3.84Å; M194-L224 HydrophobicContact CB-CD2 4.19Å; M194-L224 HydrophobicContact CG-CD2 4.3Å; A197-L224 HydrophobicContact CB-CB 4.49Å; S221-L224 WeakPolarHBondContact O-CB 3.29Å; S221-L224 PolarHBondContact O-N 3.21Å; Q222-L224 VanDerWaalsContact C-N 3.27Å
225G98.3Very high98.4Very high18 Ų1837.4 Ų37.419%0.18620%0.198CC..  trans157.3-146.2177.800000113.6H193 V212H193-G225 PolarHBondContact CE1-N 3.17Å; V212-G225 WeakPolarHBondContact O-CA 3.29Å
226A98.8Very high98.4Very high0 Ų036.8 Ų36.80%020%0.196CC..EExtended strand (participates in β ladder)trans-97.4159.6-178.200000111.8F211 V212 L213 T214 F256 F285F211-A226 HydrophobicContact CE2-CB 4.1Å; V212-A226 PolarHBondContact O-N 3.34Å; L213-A226 WeakPolarHBondContact CA-O 3.5Å; L213-A226 HydrophobicContact CD1-CB 3.73Å; T214-A226 PolarHBondContact N-O 2.96Å; A226-F256 CarbonylContact C-O 3.53Å; A226-F256 WeakPolarHBondContact CA-O 3.39Å; A226-F256 HydrophobicContact CB-CB 4.35Å; A226-F256 HydrophobicContact CB-CD1 4.15Å; A226-F256 HydrophobicContact CB-CD2 3.6Å; A226-F256 HydrophobicContact CB-CE1 4.38Å; A226-F256 HydrophobicContact CB-CE2 3.84Å; A226-F256 HydrophobicContact CB-CG 3.76Å; A226-F256 HydrophobicContact CB-CZ 4.22Å; A226-F285 HydrophobicContact CB-CD2 4.31Å; A226-F285 HydrophobicContact CB-CG 4.48Å
227I98.8Very high98.5Very high2 Ų242.5 Ų42.51%0.0122%0.221CC..EExtended strand (participates in β ladder)trans-127.4164163.975.779.5000110.4T214 F217 L249 I254 F256 C257 G258T214-I227 HydrophobicContact CG2-CG2 3.67Å; T214-I227 VanDerWaalsContact O-CA 3.32Å; T214-I227 WeakPolarHBondContact O-CA 3.33Å; T214-I227 WeakPolarHBondContact O-CB 3.19Å; F217-I227 HydrophobicContact CB-CG2 4.01Å; F217-I227 HydrophobicContact CD1-CB 3.99Å; F217-I227 HydrophobicContact CD1-CD1 4.39Å; F217-I227 HydrophobicContact CD1-CG1 4.07Å; F217-I227 HydrophobicContact CD1-CG2 3.85Å; F217-I227 HydrophobicContact CE1-CB 4.42Å; F217-I227 HydrophobicContact CE1-CD1 3.96Å; F217-I227 HydrophobicContact CE1-CG1 4.1Å; F217-I227 HydrophobicContact CG-CG2 4.06Å; I227-L249 HydrophobicContact CD1-CD1 3.61Å; I227-L249 HydrophobicContact CD1-CD2 4.21Å; I227-I254 HydrophobicContact CD1-CG2 4.46Å; I227-I254 HydrophobicContact CG1-CG2 3.49Å; I227-I254 VanDerWaalsContact CG1-CG2 3.49Å; I227-I254 HydrophobicContact CG2-CG2 4.21Å; I227-F256 PolarHBondContact N-O 3Å; I227-C257 HydrophobicContact CD1-CB 3.65Å; I227-C257 HydrophobicContact CG1-CB 3.88Å; I227-C257 WeakPolarHBondContact O-CA 3.14Å; I227-G258 PolarHBondContact O-N 3.15Å
228W98.8Very high98.4Very high2 Ų243.6 Ų43.61%0.00822%0.223CC..EExtended strand (participates in β ladder)trans-133.9164.7166.384.3109.8000110.9W153 D155 L213 T214 R215 G230 G258 D260 F285W153-W228 AromaticContact CD1-CH2 3.95Å; W153-W228 AromaticContact CD1-CZ3 3.79Å; W153-W228 AromaticContact CE2-CH2 3.73Å; W153-W228 AromaticContact CZ2-CH2 3.96Å; W153-W228 HydrophobicContact CZ2-CH2 3.96Å; W153-W228 AromaticContact CZ2-CZ2 4Å; W153-W228 HydrophobicContact CZ2-CZ2 4Å; W153-W228 AromaticContact NE1-CH2 2.93Å; W153-W228 AromaticContact NE1-CZ2 3.79Å; W153-W228 AromaticContact NE1-CZ3 3.2Å; D155-W228 HydrophobicContact CB-CH2 4.35Å; D155-W228 WeakPolarHBondContact OD1-CH2 3.26Å; L213-W228 HydrophobicContact CD1-CB 4.34Å; L213-W228 HydrophobicContact CD1-CE3 3.74Å; L213-W228 HydrophobicContact CD1-CZ3 4.5Å; L213-W228 HydrophobicContact CD2-CD2 3.99Å; L213-W228 HydrophobicContact CD2-CE3 3.43Å; L213-W228 VanDerWaalsContact CD2-CE3 3.43Å; L213-W228 HydrophobicContact CD2-CZ3 3.79Å; L213-W228 HydrophobicContact CG-CD2 4.38Å; L213-W228 HydrophobicContact CG-CE3 3.41Å; L213-W228 VanDerWaalsContact CG-CE3 3.41Å; L213-W228 HydrophobicContact CG-CZ3 3.74Å; T214-W228 WeakPolarHBondContact O-CZ3 3.32Å; R215-W228 HydrophobicContact CB-CE3 4.5Å; R215-W228 HydrophobicContact CB-CH2 3.43Å; R215-W228 VanDerWaalsContact CB-CH2 3.43Å; R215-W228 HydrophobicContact CB-CZ2 4.12Å; R215-W228 HydrophobicContact CB-CZ3 3.69Å; R215-W228 HydrophobicContact CG-CH2 3.81Å; R215-W228 HydrophobicContact CG-CZ2 3.98Å; R215-W228 HydrophobicContact CG-CZ3 4.29Å; R215-W228 VanDerWaalsContact N-CZ3 3.3Å; W228-G230 VanDerWaalsContact NE1-CA 3.27Å; W228-G230 PolarHBondContact O-N 3.3Å; W228-G258 CarbonylContact C-O 3.53Å; W228-G258 WeakPolarHBondContact CA-O 3.14Å; W228-G258 WeakPolarHBondContact CB-O 3.47Å; W228-D260 PolarHBondContact NE1-OD2 3.31Å; W228-F285 HydrophobicContact CB-CD1 4.27Å; W228-F285 HydrophobicContact CB-CE1 4.25Å
229T98.6Very high98.5Very high32 Ų3239.6 Ų39.620%0.19621%0.206CC..  trans-74.612.4-174.458.70000115.1M245 L249 G258 A259T229-M245 HydrophobicContact CG2-CB 3.99Å; T229-M245 HydrophobicContact CG2-CE 3.7Å; T229-M245 HydrophobicContact CG2-SD 4.16Å; T229-L249 HydrophobicContact CG2-CD1 4.44Å; T229-G258 PolarHBondContact N-O 3.13Å; T229-A259 HydrophobicContact CG2-CB 4.45Å; T229-A259 VanDerWaalsContact OG1-CB 3.28Å; T229-A259 WeakPolarHBondContact OG1-CB 3.32Å
230G97.8Very high98.5Very high7 Ų740 Ų407%0.07219%0.193CC..  trans72-161.7-178.100000113.9W228 N232W228-G230 VanDerWaalsContact NE1-CA 3.27Å; W228-G230 PolarHBondContact O-N 3.3Å; G230-N232 PolarHBondContact O-N 2.96Å
231D98.1Very high98.5Very high84 Ų8443.8 Ų43.845%0.44921%0.211SC..SBendtrans-69.386.9-173.4-64.9-0.2000112F264D231-F264 HydrophobicContact CB-CD1 3.56Å; D231-F264 HydrophobicContact CB-CE1 4Å; D231-F264 HydrophobicContact CB-CG 4.35Å; D231-F264 VanDerWaalsContact CG-CD1 3.48Å; D231-F264 VanDerWaalsContact CG-CE1 3.43Å; D231-F264 WeakPolarHBondContact OD2-CE1 3.41Å
232N98.4Very high98.5Very high5 Ų543.8 Ų43.83%0.02721%0.211CC..  trans-84.6172.1174.365.2-6.8000112.3G230 Y238 D260 G263 F264 V265 W276G230-N232 PolarHBondContact O-N 2.96Å; N232-Y238 HydrophobicContact CB-CD1 3.49Å; N232-Y238 VanDerWaalsContact CB-CD1 3.49Å; N232-Y238 HydrophobicContact CB-CE1 3.99Å; N232-Y238 HydrophobicContact CB-CG 4.35Å; N232-D260 PolarHBondContact ND2-O 3.03Å; N232-D260 WeakPolarHBondContact OD1-CB 3.4Å; N232-G263 VanDerWaalsContact OD1-CA 3.28Å; N232-G263 WeakPolarHBondContact OD1-CA 3.28Å; N232-F264 WeakPolarHBondContact O-CA 3.21Å; N232-F264 WeakPolarHBondContact O-CB 3.3Å; N232-F264 PolarHBondContact O-N 2.98Å; N232-F264 PolarHBondContact OD1-N 3.4Å; N232-V265 PolarHBondContact O-N 3.43Å; N232-W276 WeakPolarHBondContact ND2-CH2 3.17Å
233V98.6Very high98.5Very high23 Ų2339.5 Ų39.514%0.13919%0.191CC..BIsolated β-bridgetrans-112141.9-177.8-169.80000110.2T235 Y238 K266V233-T235 HydrophobicContact CG1-CG2 3.93Å; V233-T235 PolarHBondContact O-N 3.45Å; V233-T235 PolarHBondContact O-OG1 2.75Å; V233-Y238 HydrophobicContact CB-CD2 3.65Å; V233-Y238 HydrophobicContact CB-CE2 3.68Å; V233-Y238 HydrophobicContact CB-CG 4.08Å; V233-Y238 HydrophobicContact CG2-CD2 4.04Å; V233-Y238 HydrophobicContact CG2-CE1 4.21Å; V233-Y238 HydrophobicContact CG2-CE2 3.52Å; V233-Y238 WeakPolarHBondContact O-CB 3.45Å; V233-K266 HydrophobicContact CG1-CD 3.63Å; V233-K266 HydrophobicContact CG1-CG 4Å
234A98.6Very high98.6Very high8 Ų833.3 Ų33.37%0.06617%0.172CC..SBendtrans-68.870.5175.200000112.1G262 V265 K266 P268A234-G262 WeakPolarHBondContact CA-O 3.36Å; A234-G262 WeakPolarHBondContact CB-O 3.29Å; A234-V265 VanDerWaalsContact CB-O 3.32Å; A234-V265 WeakPolarHBondContact CB-O 3.34Å; A234-V265 PolarHBondContact N-O 3.16Å; A234-K266 HydrophobicContact CB-CB 4.15Å; A234-K266 WeakPolarHBondContact CB-O 3.37Å; A234-P268 HydrophobicContact CB-CB 4.04Å; A234-P268 HydrophobicContact CB-CG 4.32Å
235T98.8Very high98.6Very high31 Ų3136 Ų3619%0.1919%0.185CC..SBendtrans-142.1161.2-179.754.40000110.8V233 E237 Y238 L239V233-T235 HydrophobicContact CG1-CG2 3.93Å; V233-T235 PolarHBondContact O-N 3.45Å; V233-T235 PolarHBondContact O-OG1 2.75Å; T235-E237 VanDerWaalsContact C-N 3.33Å; T235-E237 WeakPolarHBondContact CB-OE2 3.3Å; T235-Y238 PolarHBondContact O-N 2.99Å; T235-Y238 VanDerWaalsContact OG1-CD2 3.3Å; T235-Y238 WeakPolarHBondContact OG1-CD2 3.39Å; T235-L239 PolarHBondContact O-N 2.84Å; T235-L239 VanDerWaalsContact O-N 3.11Å
236W98.8Very high98.6Very high28 Ų2835.1 Ų35.111%0.10618%0.176CC..Hα-helixtrans-66.7-34.5178.5-70.594.5000112.5Y238 L239 K240 E271 L272 R275 T371 E372 Q373W236-Y238 VanDerWaalsContact C-N 3.32Å; W236-Y238 PolarHBondContact O-N 3.11Å; W236-L239 HydrophobicContact CE3-CD2 3.98Å; W236-L239 HydrophobicContact CZ3-CD2 4.09Å; W236-L239 WeakPolarHBondContact O-CB 3.38Å; W236-L239 PolarHBondContact O-N 2.82Å; W236-K240 WeakPolarHBondContact O-CB 3.48Å; W236-K240 PolarHBondContact O-N 2.68Å; W236-E271 HydrophobicContact CH2-CG 3.96Å; W236-E271 HydrophobicContact CZ2-CB 4.35Å; W236-E271 HydrophobicContact CZ2-CG 3.9Å; W236-L272 HydrophobicContact CD2-CD1 3.7Å; W236-L272 HydrophobicContact CE3-CD1 4.02Å; W236-L272 HydrophobicContact CG-CD1 3.99Å; W236-L272 HydrophobicContact CZ2-CB 3.99Å; W236-L272 HydrophobicContact CZ2-CD1 4.37Å; W236-R275 HydrophobicContact CH2-CB 4.06Å; W236-R275 HydrophobicContact CH2-CG 3.45Å; W236-R275 VanDerWaalsContact CH2-CG 3.45Å; W236-R275 HydrophobicContact CZ3-CB 3.92Å; W236-R275 HydrophobicContact CZ3-CG 3.65Å; W236-T371 VanDerWaalsContact CE3-C 3.42Å; W236-E372 WeakPolarHBondContact CZ3-O 3.12Å; W236-Q373 HydrophobicContact CD2-CB 4.02Å; W236-Q373 VanDerWaalsContact CE2-CB 3.49Å; W236-Q373 HydrophobicContact CG-CB 4.31Å; W236-Q373 HydrophobicContact CH2-CB 4.47Å; W236-Q373 VanDerWaalsContact CZ2-CA 3.47Å; W236-Q373 HydrophobicContact CZ2-CB 3.77Å; W236-Q373 HydrophobicContact CZ2-CG 3.84Å
237E98.5Very high98.6Very high138 Ų13835.5 Ų35.565%0.64518%0.178SC*.Hα-helixtrans-61.5-41.4176-64.280.3-179.100111.5T235 K240 I241T235-E237 VanDerWaalsContact C-N 3.33Å; T235-E237 WeakPolarHBondContact CB-OE2 3.3Å; E237-K240 PolarHBondContact O-N 3.18Å; E237-I241 WeakPolarHBondContact O-CB 3.39Å; E237-I241 PolarHBondContact O-N 2.71Å
238Y98.6Very high98.6Very high97 Ų9739.3 Ų39.338%0.3820%0.201SC..Hα-helixtrans-75-29.6177.2-88.1-93.7000113.1N232 V233 T235 W236 I241 S242 W276N232-Y238 HydrophobicContact CB-CD1 3.49Å; N232-Y238 VanDerWaalsContact CB-CD1 3.49Å; N232-Y238 HydrophobicContact CB-CE1 3.99Å; N232-Y238 HydrophobicContact CB-CG 4.35Å; V233-Y238 HydrophobicContact CB-CD2 3.65Å; V233-Y238 HydrophobicContact CB-CE2 3.68Å; V233-Y238 HydrophobicContact CB-CG 4.08Å; V233-Y238 HydrophobicContact CG2-CD2 4.04Å; V233-Y238 HydrophobicContact CG2-CE1 4.21Å; V233-Y238 HydrophobicContact CG2-CE2 3.52Å; V233-Y238 WeakPolarHBondContact O-CB 3.45Å; T235-Y238 PolarHBondContact O-N 2.99Å; T235-Y238 VanDerWaalsContact OG1-CD2 3.3Å; T235-Y238 WeakPolarHBondContact OG1-CD2 3.39Å; W236-Y238 VanDerWaalsContact C-N 3.32Å; W236-Y238 PolarHBondContact O-N 3.11Å; Y238-I241 HydrophobicContact CD1-CG2 4.3Å; Y238-S242 PolarHBondContact O-N 2.89Å; Y238-W276 VanDerWaalsContact O-CH2 3.32Å; Y238-W276 WeakPolarHBondContact O-CH2 3.5Å
239L98.8Very high98.5Very high0 Ų040.1 Ų40.10%021%0.206CC..Hα-helixtrans-61.3-50.1167.3172.157.9000109.9T235 W236 S242 L272 R275 W276 A279 T371T235-L239 PolarHBondContact O-N 2.84Å; T235-L239 VanDerWaalsContact O-N 3.11Å; W236-L239 HydrophobicContact CE3-CD2 3.98Å; W236-L239 HydrophobicContact CZ3-CD2 4.09Å; W236-L239 WeakPolarHBondContact O-CB 3.38Å; W236-L239 PolarHBondContact O-N 2.82Å; L239-S242 WeakPolarHBondContact O-CB 3.24Å; L239-S242 PolarHBondContact O-N 3.42Å; L239-S242 PolarHBondContact O-OG 3.41Å; L239-L272 HydrophobicContact CB-CD1 4.31Å; L239-L272 HydrophobicContact CD2-CD1 4.09Å; L239-R275 HydrophobicContact CD2-CB 3.69Å; L239-W276 HydrophobicContact CB-CD2 4.17Å; L239-W276 HydrophobicContact CB-CH2 4.34Å; L239-W276 HydrophobicContact CB-CZ2 3.79Å; L239-W276 HydrophobicContact CD1-CD2 3.68Å; L239-W276 HydrophobicContact CD1-CE3 3.66Å; L239-W276 HydrophobicContact CD1-CG 4.14Å; L239-W276 HydrophobicContact CD1-CH2 4.44Å; L239-W276 HydrophobicContact CD1-CZ2 4.48Å; L239-W276 HydrophobicContact CD1-CZ3 4.04Å; L239-W276 HydrophobicContact CG-CD2 4.42Å; L239-A279 HydrophobicContact CD1-CB 3.66Å; L239-T371 HydrophobicContact CD1-CG2 4.48Å; L239-T371 HydrophobicContact CD2-CG2 4.27Å; L239-T371 HydrophobicContact CG-CG2 3.92Å
240K98.6Very high98.5Very high89 Ų8938.7 Ų38.739%0.38720%0.197SC..Hα-helixtrans-61.8-46.8-179.8-171.1170-177.3168.10112.6W236 E237 S242 L243 P244 E372W236-K240 WeakPolarHBondContact O-CB 3.48Å; W236-K240 PolarHBondContact O-N 2.68Å; E237-K240 PolarHBondContact O-N 3.18Å; K240-S242 PolarHBondContact O-N 3.01Å; K240-L243 PolarHBondContact O-N 2.72Å; K240-P244 WeakPolarHBondContact O-CD 3.02Å; K240-E372 IonicContact NZ-OE1 3.82Å
241I98.6Very high98.4Very high84 Ų8442 Ų4243%0.43121%0.212SC..Hα-helixtrans-69.7-21.3-178.1-153.7172.7000113E237 Y238 L243 P244 M245E237-I241 WeakPolarHBondContact O-CB 3.39Å; E237-I241 PolarHBondContact O-N 2.71Å; Y238-I241 HydrophobicContact CD1-CG2 4.3Å; I241-L243 PolarHBondContact O-N 3.3Å; I241-P244 HydrophobicContact CG1-CG 4.43Å; I241-P244 VanDerWaalsContact O-CD 3.26Å; I241-P244 WeakPolarHBondContact O-CD 3.49Å; I241-P244 WeakPolarHBondContact O-CG 3.41Å; I241-M245 HydrophobicContact CG1-CG 4.44Å; I241-M245 HydrophobicContact CG1-SD 4.47Å; I241-M245 HydrophobicContact CG2-SD 4.21Å; I241-M245 VanDerWaalsContact O-CG 3.28Å; I241-M245 WeakPolarHBondContact O-CG 3.25Å; I241-M245 PolarHBondContact O-N 2.93Å
242S98.8Very high98.3Very high2 Ų242.7 Ų42.71%0.01422%0.22CC..Hα-helixtrans-60-32.2177.6740000112.4Y238 L239 K240 V246Y238-S242 PolarHBondContact O-N 2.89Å; L239-S242 WeakPolarHBondContact O-CB 3.24Å; L239-S242 PolarHBondContact O-N 3.42Å; L239-S242 PolarHBondContact O-OG 3.41Å; K240-S242 PolarHBondContact O-N 3.01Å; S242-V246 WeakPolarHBondContact O-CG2 3.43Å; S242-V246 PolarHBondContact O-N 2.82Å
243L98.6Very high98.2Very high1 Ų143.8 Ų43.81%0.00523%0.232CC..Hα-helixtrans-65.6-59.4179.6-51-173.8000112.3K240 I241 M245 V246 L247 L283 Y359 P369 T371K240-L243 PolarHBondContact O-N 2.72Å; I241-L243 PolarHBondContact O-N 3.3Å; L243-M245 VanDerWaalsContact C-N 3.26Å; L243-M245 PolarHBondContact O-N 3.07Å; L243-V246 PolarHBondContact O-N 3.33Å; L243-L247 WeakPolarHBondContact O-CB 3.33Å; L243-L247 VanDerWaalsContact O-CG 3.25Å; L243-L247 WeakPolarHBondContact O-CG 3.19Å; L243-L247 PolarHBondContact O-N 3Å; L243-L283 HydrophobicContact CD2-CD2 4.15Å; L243-Y359 HydrophobicContact CD1-CE1 4.27Å; L243-Y359 HydrophobicContact CD2-CE1 3.93Å; L243-P369 HydrophobicContact CD1-CG 4.38Å; L243-T371 HydrophobicContact CD1-CG2 4.02Å
244P98.5Very high98.2Very high31 Ų3143.1 Ų43.120%0.20123%0.227CC..Hα-helixtrans-60.4-32176.818.1-28.5000113.5K240 I241 L247 T248 D356K240-P244 WeakPolarHBondContact O-CD 3.02Å; I241-P244 HydrophobicContact CG1-CG 4.43Å; I241-P244 VanDerWaalsContact O-CD 3.26Å; I241-P244 WeakPolarHBondContact O-CD 3.49Å; I241-P244 WeakPolarHBondContact O-CG 3.41Å; P244-L247 PolarHBondContact O-N 3.31Å; P244-T248 WeakPolarHBondContact O-CB 3.36Å; P244-T248 PolarHBondContact O-N 3.34Å; P244-T248 PolarHBondContact O-OG1 3.29Å; P244-D356 HydrophobicContact CB-CB 4.09Å
245M98.8Very high98.1Very high74 Ų7443.2 Ų43.237%0.36523%0.229SC..Hα-helixtrans-63.2-50.3175.1-70.7179.679.300111.4T229 I241 L243 L247 T248 L249T229-M245 HydrophobicContact CG2-CB 3.99Å; T229-M245 HydrophobicContact CG2-CE 3.7Å; T229-M245 HydrophobicContact CG2-SD 4.16Å; I241-M245 HydrophobicContact CG1-CG 4.44Å; I241-M245 HydrophobicContact CG1-SD 4.47Å; I241-M245 HydrophobicContact CG2-SD 4.21Å; I241-M245 VanDerWaalsContact O-CG 3.28Å; I241-M245 WeakPolarHBondContact O-CG 3.25Å; I241-M245 PolarHBondContact O-N 2.93Å; L243-M245 VanDerWaalsContact C-N 3.26Å; L243-M245 PolarHBondContact O-N 3.07Å; M245-L247 VanDerWaalsContact C-N 3.33Å; M245-L247 PolarHBondContact O-N 3.11Å; M245-T248 PolarHBondContact O-N 2.97Å; M245-L249 WeakPolarHBondContact O-CD1 3.47Å; M245-L249 WeakPolarHBondContact O-CG 3.32Å; M245-L249 PolarHBondContact O-N 3.03Å
246V98.8Very high98.1Very high0 Ų042.5 Ų42.50%022%0.223CC..Hα-helixtrans-63.9-38.9177.4167.70000111.5S242 L243 L249 N250 L283 P284S242-V246 WeakPolarHBondContact O-CG2 3.43Å; S242-V246 PolarHBondContact O-N 2.82Å; L243-V246 PolarHBondContact O-N 3.33Å; V246-L249 PolarHBondContact O-N 2.81Å; V246-N250 WeakPolarHBondContact CG1-ND2 3.36Å; V246-N250 WeakPolarHBondContact O-CB 3.48Å; V246-N250 PolarHBondContact O-N 3.41Å; V246-N250 PolarHBondContact O-ND2 2.72Å; V246-L283 HydrophobicContact CB-CD2 4.38Å; V246-L283 HydrophobicContact CG1-CD2 4.02Å; V246-L283 HydrophobicContact CG2-CD1 4.31Å; V246-P284 HydrophobicContact CG1-CG 4.5Å
247L98.4Very high98.1Very high7 Ų741.2 Ų41.24%0.03722%0.218CC..Hα-helixtrans-61.1-45.7175.7-71.2171000111.8L243 P244 M245 L249 N250 L251 V339 P341 Y359L243-L247 WeakPolarHBondContact O-CB 3.33Å; L243-L247 VanDerWaalsContact O-CG 3.25Å; L243-L247 WeakPolarHBondContact O-CG 3.19Å; L243-L247 PolarHBondContact O-N 3Å; P244-L247 PolarHBondContact O-N 3.31Å; M245-L247 VanDerWaalsContact C-N 3.33Å; M245-L247 PolarHBondContact O-N 3.11Å; L247-L249 VanDerWaalsContact C-N 3.34Å; L247-L249 PolarHBondContact O-N 2.96Å; L247-N250 PolarHBondContact O-N 3Å; L247-L251 WeakPolarHBondContact O-CG 3.38Å; L247-L251 PolarHBondContact O-N 2.89Å; L247-V339 HydrophobicContact CD2-CG1 3.63Å; L247-P341 HydrophobicContact CB-CG 4.19Å; L247-P341 HydrophobicContact CD2-CG 4.06Å; L247-Y359 HydrophobicContact CD2-CG 4.24Å
248T98.3Very high98.2Very high83 Ų8334.6 Ų34.651%0.50919%0.187SC..Hα-helixtrans-62-41.8177.7-58.60000111.9P244 M245 L251 T252P244-T248 WeakPolarHBondContact O-CB 3.36Å; P244-T248 PolarHBondContact O-N 3.34Å; P244-T248 PolarHBondContact O-OG1 3.29Å; M245-T248 PolarHBondContact O-N 2.97Å; T248-L251 PolarHBondContact O-N 3.48Å; T248-T252 WeakPolarHBondContact O-CG2 3.22Å; T248-T252 PolarHBondContact O-N 2.77Å; T248-T252 PolarHBondContact O-OG1 2.82Å
249L98.6Very high98.2Very high19 Ų1930.1 Ų30.110%0.09917%0.17CC..Hα-helixtrans-64.6-42.2176.4-72.1162.2000112.1F217 I227 T229 M245 V246 L247 T252 G253 I254 C257F217-L249 HydrophobicContact CE1-CD2 4.36Å; F217-L249 HydrophobicContact CE2-CD2 3.79Å; F217-L249 HydrophobicContact CZ-CD2 3.5Å; F217-L249 VanDerWaalsContact CZ-CD2 3.5Å; I227-L249 HydrophobicContact CD1-CD1 3.61Å; I227-L249 HydrophobicContact CD1-CD2 4.21Å; T229-L249 HydrophobicContact CG2-CD1 4.44Å; M245-L249 WeakPolarHBondContact O-CD1 3.47Å; M245-L249 WeakPolarHBondContact O-CG 3.32Å; M245-L249 PolarHBondContact O-N 3.03Å; V246-L249 PolarHBondContact O-N 2.81Å; L247-L249 VanDerWaalsContact C-N 3.34Å; L247-L249 PolarHBondContact O-N 2.96Å; L249-T252 WeakPolarHBondContact CA-OG1 3.31Å; L249-T252 PolarHBondContact O-N 3.44Å; L249-T252 PolarHBondContact O-OG1 2.92Å; L249-G253 PolarHBondContact O-N 2.99Å; L249-I254 CarbonylContact C-O 3.58Å; L249-I254 HydrophobicContact CB-CB 4.2Å; L249-I254 HydrophobicContact CD2-CB 4.16Å; L249-I254 HydrophobicContact CD2-CG1 4.46Å; L249-I254 HydrophobicContact CD2-CG2 4.23Å; L249-I254 CarbonylContact O-C 3.56Å; L249-I254 WeakPolarHBondContact O-CA 3.19Å; L249-I254 WeakPolarHBondContact O-CB 3.3Å; L249-I254 PolarHBondContact O-N 2.95Å; L249-C257 HydrophobicContact CB-CB 4.25Å; L249-C257 VanDerWaalsContact CB-SG 3.56Å; L249-C257 HydrophobicContact CD1-CB 3.87Å
250N97.8Very high98.2Very high2 Ų230.1 Ų30.11%0.01117%0.17CC..Hα-helixtrans-63.1-44176.6-87.4-94000111.9V246 L247 T252 G253 C257 P337 V339V246-N250 WeakPolarHBondContact CG1-ND2 3.36Å; V246-N250 WeakPolarHBondContact O-CB 3.48Å; V246-N250 PolarHBondContact O-N 3.41Å; V246-N250 PolarHBondContact O-ND2 2.72Å; L247-N250 PolarHBondContact O-N 3Å; N250-T252 PolarHBondContact O-N 3.2Å; N250-G253 PolarHBondContact O-N 3.05Å; N250-G253 VanDerWaalsContact O-N 3.1Å; N250-C257 PolarHBondContact ND2-SG 3.48Å; N250-P337 HydrophobicContact CB-CB 3.73Å; N250-P337 HydrophobicContact CB-CG 4.33Å; N250-P337 WeakPolarHBondContact OD1-CB 3.45Å; N250-V339 VanDerWaalsContact CB-O 3.23Å; N250-V339 WeakPolarHBondContact CB-O 3.2Å; N250-V339 PolarHBondContact OD1-N 2.91Å; N250-V339 PolarHBondContact OD1-O 2.8Å
251L95.9Very high98.2Very high76 Ų7626 Ų2640%0.39815%0.152SC..Hα-helixtrans-59.8-31.8175.9-73174.5000113.1L247 T248 G253 P341 W343 V344L247-L251 WeakPolarHBondContact O-CG 3.38Å; L247-L251 PolarHBondContact O-N 2.89Å; T248-L251 PolarHBondContact O-N 3.48Å; L251-G253 VanDerWaalsContact C-N 3.3Å; L251-P341 HydrophobicContact CD1-CG 3.84Å; L251-P341 HydrophobicContact CD2-CG 3.94Å; L251-P341 HydrophobicContact CG-CG 3.9Å; L251-W343 HydrophobicContact CD1-CH2 4.45Å; L251-W343 HydrophobicContact CD1-CZ2 3.65Å; L251-W343 HydrophobicContact CD2-CH2 3.75Å; L251-W343 HydrophobicContact CD2-CZ2 3.6Å; L251-W343 HydrophobicContact CG-CZ2 4.27Å; L251-V344 HydrophobicContact CD2-CG2 3.64Å
252T96.6Very high98.2Very high99 Ų9922 Ų2261%0.60713%0.132SC*.THydrogen-bonded Turntrans-91.610.9-179.753.20000113.1T248 L249 N250T248-T252 WeakPolarHBondContact O-CG2 3.22Å; T248-T252 PolarHBondContact O-N 2.77Å; T248-T252 PolarHBondContact O-OG1 2.82Å; L249-T252 WeakPolarHBondContact CA-OG1 3.31Å; L249-T252 PolarHBondContact O-N 3.44Å; L249-T252 PolarHBondContact O-OG1 2.92Å; N250-T252 PolarHBondContact O-N 3.2Å
253G96.1Very high98.1Very high27 Ų2721.9 Ų21.928%0.27813%0.131SC..THydrogen-bonded Turntrans87.3-3175.400000114.9Q222 L249 N250 L251 A255Q222-G253 WeakPolarHBondContact CB-O 3.42Å; Q222-G253 WeakPolarHBondContact CG-O 3.28Å; L249-G253 PolarHBondContact O-N 2.99Å; N250-G253 PolarHBondContact O-N 3.05Å; N250-G253 VanDerWaalsContact O-N 3.1Å; L251-G253 VanDerWaalsContact C-N 3.3Å; G253-A255 PolarHBondContact O-N 2.82Å
254I98.1Very high98.1Very high9 Ų922.6 Ų22.65%0.04613%0.134CC..  trans-83.869.9174-51.5-60.8000109.1F217 Q222 I227 L249 F256 C257F217-I254 HydrophobicContact CD2-CG1 4.38Å; F217-I254 HydrophobicContact CE2-CG1 4.48Å; Q222-I254 HydrophobicContact CB-CD1 4.14Å; I227-I254 HydrophobicContact CD1-CG2 4.46Å; I227-I254 HydrophobicContact CG1-CG2 3.49Å; I227-I254 VanDerWaalsContact CG1-CG2 3.49Å; I227-I254 HydrophobicContact CG2-CG2 4.21Å; L249-I254 CarbonylContact C-O 3.58Å; L249-I254 HydrophobicContact CB-CB 4.2Å; L249-I254 HydrophobicContact CD2-CB 4.16Å; L249-I254 HydrophobicContact CD2-CG1 4.46Å; L249-I254 HydrophobicContact CD2-CG2 4.23Å; L249-I254 CarbonylContact O-C 3.56Å; L249-I254 WeakPolarHBondContact O-CA 3.19Å; L249-I254 WeakPolarHBondContact O-CB 3.3Å; L249-I254 PolarHBondContact O-N 2.95Å; I254-F256 PolarHBondContact O-N 3.31Å; I254-C257 PolarHBondContact O-SG 2.97Å
255A97.4Very high98.1Very high11 Ų1123.6 Ų23.69%0.09114%0.14CC..  trans-68.5-31.7-171.700000114.4G253 C257 P284 A331 P338G253-A255 PolarHBondContact O-N 2.82Å; A255-C257 PolarHBondContact O-N 2.5Å; A255-P284 VanDerWaalsContact O-CB 3.22Å; A255-P284 WeakPolarHBondContact O-CB 3.31Å; A255-P284 WeakPolarHBondContact O-CG 3.1Å; A255-A331 HydrophobicContact CB-CB 4.21Å; A255-P338 HydrophobicContact CB-CG 4.45Å
256F98.8Very high98.1Very high16 Ų1626 Ų267%0.0715%0.148CC..SBendtrans-93.472-176.3-160.68.6000111.4P2 S6 L7 F211 A226 I227 I254 P284 F285 F328P2-F256 HydrophobicContact CB-CD2 4.15Å; P2-F256 HydrophobicContact CB-CE2 3.74Å; P2-F256 HydrophobicContact CB-CZ 4.36Å; S6-F256 WeakPolarHBondContact O-CZ 3.4Å; S6-F256 WeakPolarHBondContact OG-CZ 3.11Å; L7-F256 HydrophobicContact CD2-CD1 4.45Å; L7-F256 HydrophobicContact CD2-CE1 3.71Å; L7-F256 HydrophobicContact CD2-CZ 3.79Å; F211-F256 HydrophobicContact CD2-CE2 4.18Å; F211-F256 AromaticContact CE2-CE2 3.99Å; F211-F256 HydrophobicContact CE2-CE2 3.99Å; F211-F256 HydrophobicContact CE2-CZ 4.09Å; A226-F256 CarbonylContact C-O 3.53Å; A226-F256 WeakPolarHBondContact CA-O 3.39Å; A226-F256 HydrophobicContact CB-CB 4.35Å; A226-F256 HydrophobicContact CB-CD1 4.15Å; A226-F256 HydrophobicContact CB-CD2 3.6Å; A226-F256 HydrophobicContact CB-CE1 4.38Å; A226-F256 HydrophobicContact CB-CE2 3.84Å; A226-F256 HydrophobicContact CB-CG 3.76Å; A226-F256 HydrophobicContact CB-CZ 4.22Å; I227-F256 PolarHBondContact N-O 3Å; I254-F256 PolarHBondContact O-N 3.31Å; F256-P284 HydrophobicContact CD1-CB 4.47Å; F256-F285 HydrophobicContact CD1-CB 3.96Å; F256-F285 HydrophobicContact CE1-CB 3.93Å; F256-F285 HydrophobicContact CE1-CD2 4Å; F256-F285 HydrophobicContact CE1-CG 4.44Å; F256-F285 HydrophobicContact CZ-CD2 4.34Å; F256-F328 HydrophobicContact CB-CE1 3.77Å; F256-F328 HydrophobicContact CB-CZ 4.12Å; F256-F328 HydrophobicContact CD1-CE1 4.04Å; F256-F328 AromaticContact CD1-CZ 3.59Å; F256-F328 HydrophobicContact CD1-CZ 3.59Å; F256-F328 HydrophobicContact CD2-CE1 4.49Å; F256-F328 HydrophobicContact CE1-CZ 4.17Å; F256-F328 AromaticContact CG-CE1 3.86Å; F256-F328 HydrophobicContact CG-CE1 3.86Å; F256-F328 AromaticContact CG-CZ 3.91Å; F256-F328 HydrophobicContact CG-CZ 3.91Å
257C98.6Very high98Very high0 Ų029.3 Ų29.30%017%0.166CC..EExtended strand (participates in β ladder)trans-131.2161.4-176.158.30000113.5I227 L249 N250 I254 A255 P284 F285I227-C257 HydrophobicContact CD1-CB 3.65Å; I227-C257 HydrophobicContact CG1-CB 3.88Å; I227-C257 WeakPolarHBondContact O-CA 3.14Å; L249-C257 HydrophobicContact CB-CB 4.25Å; L249-C257 VanDerWaalsContact CB-SG 3.56Å; L249-C257 HydrophobicContact CD1-CB 3.87Å; N250-C257 PolarHBondContact ND2-SG 3.48Å; I254-C257 PolarHBondContact O-SG 2.97Å; A255-C257 PolarHBondContact O-N 2.5Å; C257-P284 WeakPolarHBondContact O-CD 3.27Å; C257-F285 PolarHBondContact O-N 3.1Å
258G98.7Very high98Very high0 Ų029.4 Ų29.40%017%0.167CC..EExtended strand (participates in β ladder)trans-169.8-175.8-179.900000111.8I227 W228 T229I227-G258 PolarHBondContact O-N 3.15Å; W228-G258 CarbonylContact C-O 3.53Å; W228-G258 WeakPolarHBondContact CA-O 3.14Å; W228-G258 WeakPolarHBondContact CB-O 3.47Å; T229-G258 PolarHBondContact N-O 3.13Å
259A98.8Very high98Very high3 Ų328.2 Ų28.23%0.02516%0.157CC..  trans-129.2159.517700000110T229 V261 W276T229-A259 HydrophobicContact CG2-CB 4.45Å; T229-A259 VanDerWaalsContact OG1-CB 3.28Å; T229-A259 WeakPolarHBondContact OG1-CB 3.32Å; A259-V261 PolarHBondContact O-N 3.05Å; A259-V261 VanDerWaalsContact O-N 3.17Å; A259-W276 HydrophobicContact CB-CH2 4.39Å; A259-W276 HydrophobicContact CB-CZ3 4.14Å
260D98.8Very high98Very high0 Ų030 Ų300%017%0.17CC..EExtended strand (participates in β ladder)trans-69.7115.2179.1-69.5-35.1000111W228 N232 G262 G263 R287 H289W228-D260 PolarHBondContact NE1-OD2 3.31Å; N232-D260 PolarHBondContact ND2-O 3.03Å; N232-D260 WeakPolarHBondContact OD1-CB 3.4Å; D260-G262 PolarHBondContact O-N 3.17Å; D260-G263 PolarHBondContact O-N 3.21Å; D260-R287 IonicContact OD1-CZ 3.72Å; D260-R287 VanDerWaalsContact OD1-CZ 3.27Å; D260-R287 IonicContact OD1-NE 3.96Å; D260-R287 PolarHBondContact OD1-NE 3.38Å; D260-R287 IonicContact OD1-NH2 2.86Å; D260-R287 PolarHBondContact OD1-NH2 2.76Å; D260-R287 IonicContact OD2-NH2 2.7Å; D260-R287 PolarHBondContact OD2-NH2 2.86Å; D260-H289 HydrophobicContact CB-CB 4.09Å; D260-H289 WeakPolarHBondContact OD1-CB 3.4Å; D260-H289 IonicContact OD2-CD2 2.77Å; D260-H289 PolarHBondContact OD2-CD2 3.25Å
261V98.9Very high98Very high2 Ų232.3 Ų32.31%0.01218%0.181CC..EExtended strand (participates in β ladder)trans-67.7123.2-178.6174.10000109.1A259 W276 Y277 F286 R287A259-V261 PolarHBondContact O-N 3.05Å; A259-V261 VanDerWaalsContact O-N 3.17Å; V261-W276 HydrophobicContact CG1-CB 3.93Å; V261-Y277 HydrophobicContact CG1-CD1 3.85Å; V261-Y277 HydrophobicContact CG1-CD2 3.92Å; V261-Y277 HydrophobicContact CG1-CE1 3.97Å; V261-Y277 HydrophobicContact CG1-CE2 4.05Å; V261-Y277 HydrophobicContact CG1-CG 3.8Å; V261-F286 HydrophobicContact CG1-CE2 4.43Å; V261-F286 HydrophobicContact CG2-CD2 3.79Å; V261-F286 HydrophobicContact CG2-CE2 3.83Å; V261-R287 WeakPolarHBondContact CB-O 3.18Å; V261-R287 WeakPolarHBondContact CG2-O 3.41Å; V261-R287 PolarHBondContact N-O 2.82Å
262G98.3Very high98.2Very high0 Ų028.9 Ų28.90%016%0.163CC..THydrogen-bonded Turntrans93.2-10-173.600000114A234 D260 P268 R297A234-G262 WeakPolarHBondContact CA-O 3.36Å; A234-G262 WeakPolarHBondContact CB-O 3.29Å; D260-G262 PolarHBondContact O-N 3.17Å; G262-P268 WeakPolarHBondContact O-CG 3.24Å; G262-R297 PolarHBondContact O-NH1 3.22Å; G262-R297 VanDerWaalsContact O-NH1 3.09Å
263G98.4Very high98.3Very high0 Ų024.1 Ų24.10%013%0.134CC..  trans76123.9179.900000113.8N232 D260 V265 R297N232-G263 VanDerWaalsContact OD1-CA 3.28Å; N232-G263 WeakPolarHBondContact OD1-CA 3.28Å; D260-G263 PolarHBondContact O-N 3.21Å; G263-V265 PolarHBondContact O-N 3.2Å; G263-R297 VanDerWaalsContact O-CZ 3.25Å; G263-R297 PolarHBondContact O-NH1 2.94Å; G263-R297 PolarHBondContact O-NH2 3.17Å
264F98.6Very high98.4Very high15 Ų1522.9 Ų22.97%0.06612%0.121CC..SBendtrans-55.9-53.1-171.2177.1-111.2000113.5W14 D231 N232 H289 A291W14-F264 HydrophobicContact CE3-CZ 4.08Å; D231-F264 HydrophobicContact CB-CD1 3.56Å; D231-F264 HydrophobicContact CB-CE1 4Å; D231-F264 HydrophobicContact CB-CG 4.35Å; D231-F264 VanDerWaalsContact CG-CD1 3.48Å; D231-F264 VanDerWaalsContact CG-CE1 3.43Å; D231-F264 WeakPolarHBondContact OD2-CE1 3.41Å; N232-F264 WeakPolarHBondContact O-CA 3.21Å; N232-F264 WeakPolarHBondContact O-CB 3.3Å; N232-F264 PolarHBondContact O-N 2.98Å; N232-F264 PolarHBondContact OD1-N 3.4Å; F264-H289 AromaticContact CD2-CD2 3.43Å; F264-H289 VanDerWaalsContact CD2-CD2 3.43Å; F264-H289 WeakPolarHBondContact CD2-CD2 3.49Å; F264-H289 AromaticContact CD2-NE2 3.51Å; F264-H289 AromaticContact CE2-CD2 3.73Å; F264-H289 AromaticContact CE2-CE1 3.94Å; F264-H289 AromaticContact CE2-NE2 3.25Å; F264-H289 VanDerWaalsContact CE2-NE2 3.25Å; F264-H289 WeakPolarHBondContact CE2-NE2 3.49Å; F264-A291 HydrophobicContact CD1-CB 4.12Å; F264-A291 HydrophobicContact CD2-CB 4.22Å; F264-A291 HydrophobicContact CE1-CB 3.82Å; F264-A291 HydrophobicContact CE2-CB 3.92Å; F264-A291 HydrophobicContact CG-CB 4.33Å; F264-A291 HydrophobicContact CZ-CB 3.73Å; F264-A291 WeakPolarHBondContact O-CB 3.42Å; F264-A291 PolarHBondContact O-N 2.95Å
265V97.8Very high98.5Very high53 Ų5322.6 Ų22.632%0.32112%0.119SC..BIsolated β-bridgetrans-92.6146179.2-167.90000111.1N232 A234 G263N232-V265 PolarHBondContact O-N 3.43Å; A234-V265 VanDerWaalsContact CB-O 3.32Å; A234-V265 WeakPolarHBondContact CB-O 3.34Å; A234-V265 PolarHBondContact N-O 3.16Å; G263-V265 PolarHBondContact O-N 3.2Å
266K98Very high98.5Very high125 Ų12522.2 Ų22.254%0.54312%0.115SC..SBendtrans72.8166.3-178.3-49.2-178.9-175.7172.70114.2V233 A234 R297V233-K266 HydrophobicContact CG1-CD 3.63Å; V233-K266 HydrophobicContact CG1-CG 4Å; A234-K266 HydrophobicContact CB-CB 4.15Å; A234-K266 WeakPolarHBondContact CB-O 3.37Å; K266-R297 PolarHBondContact O-NH1 2.78Å
267D98.4Very high98.5Very high68 Ų6821.6 Ų21.636%0.36411%0.113SC..PPolyproline II helixtrans-94.4121.1176.3-64.6-42.1000110.3K295D267-K295 WeakPolarHBondContact OD1-CB 3.27Å; D267-K295 PolarHBondContact OD1-N 3.4Å; D267-K295 WeakPolarHBondContact OD2-CD 3.46Å; D267-K295 VanDerWaalsContact OD2-CE 3.26Å; D267-K295 WeakPolarHBondContact OD2-CE 3.28Å; D267-K295 IonicContact OD2-NZ 3.48Å; D267-K295 PolarHBondContact OD2-NZ 2.9Å
268P98.1Very high98.5Very high10 Ų1022 Ų227%0.06512%0.115CC..PPolyproline II helixtrans-72.1147.2171.629.1-33.2000110.1A234 G262 L272 L273A234-P268 HydrophobicContact CB-CB 4.04Å; A234-P268 HydrophobicContact CB-CG 4.32Å; G262-P268 WeakPolarHBondContact O-CG 3.24Å; P268-L272 HydrophobicContact CB-CB 4.28Å; P268-L272 HydrophobicContact CB-CD2 3.9Å; P268-L272 HydrophobicContact CB-CG 4.03Å; P268-L273 HydrophobicContact CB-CB 4.43Å; P268-L273 HydrophobicContact CG-CB 4.3Å; P268-L273 HydrophobicContact CG-CD1 4.03Å
269D97.9Very high98.5Very high57 Ų5722 Ų2231%0.30512%0.115SC..PPolyproline II helixtrans-68.3163.8163.473.552.5000110.7E271 L272 L273 Q373D269-E271 VanDerWaalsContact C-N 3.31Å; D269-E271 PolarHBondContact O-N 2.97Å; D269-E271 WeakPolarHBondContact OD1-CA 3.41Å; D269-E271 WeakPolarHBondContact OD1-CB 3.4Å; D269-E271 PolarHBondContact OD1-N 2.85Å; D269-L272 PolarHBondContact O-N 3.01Å; D269-L272 PolarHBondContact OD1-N 2.76Å; D269-L273 PolarHBondContact O-N 2.97Å; D269-Q373 PolarHBondContact OD2-NE2 3.46Å
270P98.3Very high98.5Very high58 Ų5822 Ų2238%0.37712%0.115SC..Hα-helixtrans-62.1-33.7-175.9-19.829.9000114.4L273 V274 F302 V306P270-L273 PolarHBondContact O-N 3.14Å; P270-V274 WeakPolarHBondContact O-CG2 3.36Å; P270-V274 PolarHBondContact O-N 3.36Å; P270-V274 VanDerWaalsContact O-N 3.12Å; P270-F302 HydrophobicContact CB-CD1 4.26Å; P270-F302 HydrophobicContact CG-CD1 4.06Å; P270-V306 HydrophobicContact CB-CG2 3.71Å
271E98.7Very high98.5Very high49 Ų4922.3 Ų22.323%0.22912%0.117CC..Hα-helixtrans-67.4-50178.6-176.3-171.5-178.200110W236 D269 L273 V274 R275 G374 L410W236-E271 HydrophobicContact CH2-CG 3.96Å; W236-E271 HydrophobicContact CZ2-CB 4.35Å; W236-E271 HydrophobicContact CZ2-CG 3.9Å; D269-E271 VanDerWaalsContact C-N 3.31Å; D269-E271 PolarHBondContact O-N 2.97Å; D269-E271 WeakPolarHBondContact OD1-CA 3.41Å; D269-E271 WeakPolarHBondContact OD1-CB 3.4Å; D269-E271 PolarHBondContact OD1-N 2.85Å; E271-L273 VanDerWaalsContact C-N 3.25Å; E271-L273 PolarHBondContact O-N 3.13Å; E271-V274 PolarHBondContact O-N 2.75Å; E271-V274 VanDerWaalsContact O-N 3.16Å; E271-R275 WeakPolarHBondContact O-CG 3.4Å; E271-R275 PolarHBondContact O-N 2.66Å; E271-G374 WeakPolarHBondContact OE1-CA 3.35Å; E271-G374 PolarHBondContact OE1-N 2.88Å; E271-G374 PolarHBondContact OE2-N 2.84Å; E271-L410 HydrophobicContact CG-CD1 4.09Å
272L98.8Very high98.5Very high4 Ų423.2 Ų23.22%0.02112%0.122CC..Hα-helixtrans-57.3-41.5177.1176.558000111W236 L239 P268 D269 R275 W276W236-L272 HydrophobicContact CD2-CD1 3.7Å; W236-L272 HydrophobicContact CE3-CD1 4.02Å; W236-L272 HydrophobicContact CG-CD1 3.99Å; W236-L272 HydrophobicContact CZ2-CB 3.99Å; W236-L272 HydrophobicContact CZ2-CD1 4.37Å; L239-L272 HydrophobicContact CB-CD1 4.31Å; L239-L272 HydrophobicContact CD2-CD1 4.09Å; P268-L272 HydrophobicContact CB-CB 4.28Å; P268-L272 HydrophobicContact CB-CD2 3.9Å; P268-L272 HydrophobicContact CB-CG 4.03Å; D269-L272 PolarHBondContact O-N 3.01Å; D269-L272 PolarHBondContact OD1-N 2.76Å; L272-R275 PolarHBondContact O-N 2.93Å; L272-W276 WeakPolarHBondContact O-CB 3.49Å; L272-W276 VanDerWaalsContact O-CD1 3.29Å; L272-W276 PolarHBondContact O-N 3.49Å
273L98.8Very high98.6Very high0 Ų023.4 Ų23.40%012%0.123CC..Hα-helixtrans-60.9-47.7177.1-172.663.9000111.6P268 D269 P270 E271 R275 W276 Y277 F302 I310P268-L273 HydrophobicContact CB-CB 4.43Å; P268-L273 HydrophobicContact CG-CB 4.3Å; P268-L273 HydrophobicContact CG-CD1 4.03Å; D269-L273 PolarHBondContact O-N 2.97Å; P270-L273 PolarHBondContact O-N 3.14Å; E271-L273 VanDerWaalsContact C-N 3.25Å; E271-L273 PolarHBondContact O-N 3.13Å; L273-R275 VanDerWaalsContact C-N 3.33Å; L273-R275 PolarHBondContact O-N 2.92Å; L273-W276 WeakPolarHBondContact O-CB 3.35Å; L273-W276 PolarHBondContact O-N 3.45Å; L273-Y277 HydrophobicContact CD1-CD2 4.09Å; L273-Y277 HydrophobicContact CD1-CE2 3.67Å; L273-Y277 HydrophobicContact CD2-CE2 4.44Å; L273-Y277 HydrophobicContact CG-CD2 4.03Å; L273-Y277 HydrophobicContact CG-CE2 3.86Å; L273-Y277 VanDerWaalsContact O-CD2 3.26Å; L273-Y277 WeakPolarHBondContact O-CD2 3.47Å; L273-Y277 PolarHBondContact O-N 2.98Å; L273-F302 HydrophobicContact CD2-CD2 3.49Å; L273-F302 VanDerWaalsContact CD2-CD2 3.49Å; L273-F302 HydrophobicContact CD2-CE1 4.33Å; L273-F302 HydrophobicContact CD2-CE2 3.24Å; L273-F302 HydrophobicContact CD2-CG 4.15Å; L273-F302 HydrophobicContact CD2-CZ 3.71Å; L273-I310 HydrophobicContact CD2-CD1 4.09Å; L273-I310 HydrophobicContact CG-CD1 4.1Å
274V98.9Very high98.6Very high1 Ų123.4 Ų23.41%0.00612%0.123CC..Hα-helixtrans-57.4-47175.8173.20000111P270 E271 W276 Y277 Q278 V306 A309 I310 L410P270-V274 WeakPolarHBondContact O-CG2 3.36Å; P270-V274 PolarHBondContact O-N 3.36Å; P270-V274 VanDerWaalsContact O-N 3.12Å; E271-V274 PolarHBondContact O-N 2.75Å; E271-V274 VanDerWaalsContact O-N 3.16Å; V274-W276 VanDerWaalsContact C-N 3.31Å; V274-W276 PolarHBondContact O-N 2.99Å; V274-Y277 PolarHBondContact O-N 3.38Å; V274-Y277 VanDerWaalsContact O-N 3.12Å; V274-Q278 HydrophobicContact CG1-CG 4.34Å; V274-Q278 WeakPolarHBondContact O-CG 3.45Å; V274-Q278 PolarHBondContact O-N 3.39Å; V274-V306 HydrophobicContact CG2-CB 4.29Å; V274-V306 HydrophobicContact CG2-CG1 3.73Å; V274-V306 HydrophobicContact CG2-CG2 4.4Å; V274-A309 HydrophobicContact CG1-CB 3.7Å; V274-A309 HydrophobicContact CG2-CB 4.05Å; V274-I310 HydrophobicContact CG2-CG1 4.14Å; V274-L410 HydrophobicContact CB-CD1 3.77Å; V274-L410 HydrophobicContact CB-CG 4.37Å; V274-L410 HydrophobicContact CG1-CD1 3.74Å; V274-L410 HydrophobicContact CG1-CG 4Å; V274-L410 HydrophobicContact CG2-CD1 4.03Å; V274-L410 HydrophobicContact CG2-CD2 4.37Å; V274-L410 HydrophobicContact CG2-CG 4.29Å
275R98.8Very high98.6Very high3 Ų322.8 Ų22.81%0.01112%0.12CC..Hα-helixtrans-64.6-35.2-179.3-63.4-41.2-171.1172.31.3112.8W236 L239 E271 L272 L273 Q278 A279 N409 T412W236-R275 HydrophobicContact CH2-CB 4.06Å; W236-R275 HydrophobicContact CH2-CG 3.45Å; W236-R275 VanDerWaalsContact CH2-CG 3.45Å; W236-R275 HydrophobicContact CZ3-CB 3.92Å; W236-R275 HydrophobicContact CZ3-CG 3.65Å; L239-R275 HydrophobicContact CD2-CB 3.69Å; E271-R275 WeakPolarHBondContact O-CG 3.4Å; E271-R275 PolarHBondContact O-N 2.66Å; L272-R275 PolarHBondContact O-N 2.93Å; L273-R275 VanDerWaalsContact C-N 3.33Å; L273-R275 PolarHBondContact O-N 2.92Å; R275-Q278 PolarHBondContact O-N 3.47Å; R275-A279 WeakPolarHBondContact O-CB 3.41Å; R275-A279 PolarHBondContact O-N 3.28Å; R275-N409 VanDerWaalsContact CZ-O 3.31Å; R275-N409 PolarHBondContact NH1-O 3.13Å; R275-N409 VanDerWaalsContact NH2-C 3.26Å; R275-N409 PolarHBondContact NH2-O 2.77Å; R275-T412 PolarHBondContact NH1-O 3.48Å; R275-T412 VanDerWaalsContact NH1-O 3.12Å
276W98.8Very high98.6Very high2 Ų220.2 Ų20.21%0.00811%0.105CC..Hα-helixtrans-60.9-45.3170-93.5112.5000112.6N232 Y238 L239 A259 V261 L272 L273 V274 Q278 A279 G280N232-W276 WeakPolarHBondContact ND2-CH2 3.17Å; Y238-W276 VanDerWaalsContact O-CH2 3.32Å; Y238-W276 WeakPolarHBondContact O-CH2 3.5Å; L239-W276 HydrophobicContact CB-CD2 4.17Å; L239-W276 HydrophobicContact CB-CH2 4.34Å; L239-W276 HydrophobicContact CB-CZ2 3.79Å; L239-W276 HydrophobicContact CD1-CD2 3.68Å; L239-W276 HydrophobicContact CD1-CE3 3.66Å; L239-W276 HydrophobicContact CD1-CG 4.14Å; L239-W276 HydrophobicContact CD1-CH2 4.44Å; L239-W276 HydrophobicContact CD1-CZ2 4.48Å; L239-W276 HydrophobicContact CD1-CZ3 4.04Å; L239-W276 HydrophobicContact CG-CD2 4.42Å; A259-W276 HydrophobicContact CB-CH2 4.39Å; A259-W276 HydrophobicContact CB-CZ3 4.14Å; V261-W276 HydrophobicContact CG1-CB 3.93Å; L272-W276 WeakPolarHBondContact O-CB 3.49Å; L272-W276 VanDerWaalsContact O-CD1 3.29Å; L272-W276 PolarHBondContact O-N 3.49Å; L273-W276 WeakPolarHBondContact O-CB 3.35Å; L273-W276 PolarHBondContact O-N 3.45Å; V274-W276 VanDerWaalsContact C-N 3.31Å; V274-W276 PolarHBondContact O-N 2.99Å; W276-Q278 VanDerWaalsContact C-N 3.33Å; W276-Q278 PolarHBondContact O-N 2.88Å; W276-A279 PolarHBondContact O-N 2.83Å; W276-G280 PolarHBondContact O-N 3.23Å
277Y98.9Very high98.7Very high4 Ų414.3 Ų14.32%0.0168%0.079CC..Hα-helixtrans-64.7-38.7177.6-86.3-79.6000112.2Y9 V261 L273 V274 A281 F286 P299 I310 I314Y9-Y277 HydrophobicContact CE1-CE1 4.44Å; Y9-Y277 HydrophobicContact CE2-CD1 4.44Å; Y9-Y277 AromaticContact CE2-CE1 3.65Å; Y9-Y277 HydrophobicContact CE2-CE1 3.65Å; Y9-Y277 AromaticContact CZ-CE1 3.62Å; Y9-Y277 WeakPolarHBondContact OH-CE1 3.42Å; Y9-Y277 PolarHBondContact OH-OH 2.68Å; V261-Y277 HydrophobicContact CG1-CD1 3.85Å; V261-Y277 HydrophobicContact CG1-CD2 3.92Å; V261-Y277 HydrophobicContact CG1-CE1 3.97Å; V261-Y277 HydrophobicContact CG1-CE2 4.05Å; V261-Y277 HydrophobicContact CG1-CG 3.8Å; L273-Y277 HydrophobicContact CD1-CD2 4.09Å; L273-Y277 HydrophobicContact CD1-CE2 3.67Å; L273-Y277 HydrophobicContact CD2-CE2 4.44Å; L273-Y277 HydrophobicContact CG-CD2 4.03Å; L273-Y277 HydrophobicContact CG-CE2 3.86Å; L273-Y277 VanDerWaalsContact O-CD2 3.26Å; L273-Y277 WeakPolarHBondContact O-CD2 3.47Å; L273-Y277 PolarHBondContact O-N 2.98Å; V274-Y277 PolarHBondContact O-N 3.38Å; V274-Y277 VanDerWaalsContact O-N 3.12Å; Y277-A281 WeakPolarHBondContact O-CB 3.28Å; Y277-A281 PolarHBondContact O-N 3.05Å; Y277-F286 HydrophobicContact CD1-CE2 4.09Å; Y277-F286 AromaticContact CD1-CZ 3.9Å; Y277-F286 HydrophobicContact CD1-CZ 3.9Å; Y277-F286 HydrophobicContact CE1-CZ 4.48Å; Y277-P299 HydrophobicContact CE1-CG 4.37Å; Y277-I310 HydrophobicContact CD1-CG2 3.53Å; Y277-I310 HydrophobicContact CD2-CB 4.26Å; Y277-I310 HydrophobicContact CD2-CD1 3.57Å; Y277-I310 HydrophobicContact CD2-CG1 3.58Å; Y277-I310 HydrophobicContact CD2-CG2 3.69Å; Y277-I310 HydrophobicContact CE1-CG2 3.81Å; Y277-I310 HydrophobicContact CE2-CD1 3.77Å; Y277-I310 HydrophobicContact CE2-CG1 4.23Å; Y277-I310 HydrophobicContact CE2-CG2 3.96Å; Y277-I310 HydrophobicContact CG-CB 4.24Å; Y277-I310 HydrophobicContact CG-CD1 4.38Å; Y277-I310 HydrophobicContact CG-CG1 3.92Å; Y277-I310 HydrophobicContact CG-CG2 3.49Å; Y277-I310 VanDerWaalsContact CG-CG2 3.49Å; Y277-I314 HydrophobicContact CD1-CD1 3.97Å; Y277-I314 HydrophobicContact CD1-CG1 4.11Å; Y277-I314 HydrophobicContact CE1-CD1 3.92Å; Y277-I314 HydrophobicContact CE1-CG1 4.49Å
278Q98.8Very high98.7Very high8 Ų811.2 Ų11.24%0.0376%0.063CC..Hα-helixtrans-63.4-47.1175.6-76.9175.4-11.300112.7V274 R275 W276 A313 L410 V413V274-Q278 HydrophobicContact CG1-CG 4.34Å; V274-Q278 WeakPolarHBondContact O-CG 3.45Å; V274-Q278 PolarHBondContact O-N 3.39Å; R275-Q278 PolarHBondContact O-N 3.47Å; W276-Q278 VanDerWaalsContact C-N 3.33Å; W276-Q278 PolarHBondContact O-N 2.88Å; Q278-A313 HydrophobicContact CG-CB 4.1Å; Q278-L410 PolarHBondContact NE2-O 3.05Å; Q278-V413 HydrophobicContact CB-CG2 3.51Å; Q278-V413 HydrophobicContact CG-CG2 3.41Å; Q278-V413 VanDerWaalsContact CG-CG2 3.41Å
279A98.8Very high98.7Very high0 Ų010.9 Ų10.90%06%0.061CC..Hα-helixtrans-66.8-49.6175.700000111.3L239 R275 W276 A281 L282 L283 P369L239-A279 HydrophobicContact CD1-CB 3.66Å; R275-A279 WeakPolarHBondContact O-CB 3.41Å; R275-A279 PolarHBondContact O-N 3.28Å; W276-A279 PolarHBondContact O-N 2.83Å; A279-A281 VanDerWaalsContact C-N 3.31Å; A279-A281 PolarHBondContact O-N 2.97Å; A279-L282 WeakPolarHBondContact O-CA 3.32Å; A279-L282 WeakPolarHBondContact O-CB 3.41Å; A279-L282 PolarHBondContact O-N 2.71Å; A279-L283 WeakPolarHBondContact O-CG 3.41Å; A279-L283 PolarHBondContact O-N 2.94Å; A279-P369 HydrophobicContact CB-CB 3.87Å; A279-P369 HydrophobicContact CB-CG 4.26Å
280G98.8Very high98.8Very high3 Ų38.2 Ų8.23%0.0315%0.047CC..Hα-helixtrans-59.9-36.5-178.300000113.7W276 L282 L283 F286W276-G280 PolarHBondContact O-N 3.23Å; G280-L282 PolarHBondContact O-N 3.47Å; G280-L282 VanDerWaalsContact O-N 3.13Å; G280-L283 PolarHBondContact O-N 2.99Å; G280-L283 VanDerWaalsContact O-N 3.08Å; G280-F286 WeakPolarHBondContact O-CD2 3.17Å
281A98.8Very high98.7Very high6 Ų65.7 Ų5.75%0.053%0.031CC..Hα-helixtrans-58.3-25174.100000112.9Y277 A279 F286 A313 R317Y277-A281 WeakPolarHBondContact O-CB 3.28Å; Y277-A281 PolarHBondContact O-N 3.05Å; A279-A281 VanDerWaalsContact C-N 3.31Å; A279-A281 PolarHBondContact O-N 2.97Å; A281-F286 HydrophobicContact CB-CE1 4.27Å; A281-F286 HydrophobicContact CB-CZ 4.12Å; A281-A313 HydrophobicContact CB-CB 4.41Å; A281-R317 HydrophobicContact CB-CB 4Å; A281-R317 WeakPolarHBondContact O-CD 3.47Å; A281-R317 PolarHBondContact O-NH1 3.08Å
282L98.8Very high98.6Very high22 Ų227.8 Ų7.812%0.1154%0.043CC..THydrogen-bonded Turntrans-100.16.3-178.9-61.5169.1000113.5A279 G280 W324 Y359 I361 A367 P369 V413 V415A279-L282 WeakPolarHBondContact O-CA 3.32Å; A279-L282 WeakPolarHBondContact O-CB 3.41Å; A279-L282 PolarHBondContact O-N 2.71Å; G280-L282 PolarHBondContact O-N 3.47Å; G280-L282 VanDerWaalsContact O-N 3.13Å; L282-W324 WeakPolarHBondContact O-CH2 3.26Å; L282-Y359 VanDerWaalsContact CB-OH 3.28Å; L282-Y359 WeakPolarHBondContact CB-OH 3.46Å; L282-Y359 PolarHBondContact O-OH 2.89Å; L282-I361 HydrophobicContact CB-CD1 4.17Å; L282-I361 HydrophobicContact CD2-CD1 3.85Å; L282-A367 HydrophobicContact CD1-CB 4.06Å; L282-P369 HydrophobicContact CD1-CG 4.21Å; L282-V413 HydrophobicContact CD1-CG1 3.74Å; L282-V415 HydrophobicContact CD1-CG2 4.22Å; L282-V415 HydrophobicContact CD2-CG2 4.37Å
283L98.6Very high98.5Very high4 Ų414 Ų142%0.0218%0.077CC..SBendtrans-107.6154.2177-59.9177.1000111.8L243 V246 A279 G280 F285 R317L243-L283 HydrophobicContact CD2-CD2 4.15Å; V246-L283 HydrophobicContact CB-CD2 4.38Å; V246-L283 HydrophobicContact CG1-CD2 4.02Å; V246-L283 HydrophobicContact CG2-CD1 4.31Å; A279-L283 WeakPolarHBondContact O-CG 3.41Å; A279-L283 PolarHBondContact O-N 2.94Å; G280-L283 PolarHBondContact O-N 2.99Å; G280-L283 VanDerWaalsContact O-N 3.08Å; L283-F285 PolarHBondContact O-N 2.91Å; L283-R317 PolarHBondContact O-NH1 3.4Å
284P98.8Very high98.5Very high0 Ų014.5 Ų14.50%08%0.08CC..SBendtrans-58.2-47.7-173.2-24.833.7000114.4V246 A255 F256 C257 R317 W324 F328 V339V246-P284 HydrophobicContact CG1-CG 4.5Å; A255-P284 VanDerWaalsContact O-CB 3.22Å; A255-P284 WeakPolarHBondContact O-CB 3.31Å; A255-P284 WeakPolarHBondContact O-CG 3.1Å; F256-P284 HydrophobicContact CD1-CB 4.47Å; C257-P284 WeakPolarHBondContact O-CD 3.27Å; P284-R317 PolarHBondContact O-NH2 3.34Å; P284-W324 HydrophobicContact CB-CZ3 4.46Å; P284-W324 HydrophobicContact CG-CZ3 4.29Å; P284-F328 HydrophobicContact CB-CE2 4.26Å; P284-F328 HydrophobicContact CB-CZ 3.83Å; P284-V339 HydrophobicContact CG-CB 4.36Å; P284-V339 HydrophobicContact CG-CG2 3.94Å
285F98.9Very high98.4Very high1 Ų121.4 Ų21.40%0.00411%0.11CC..SBendtrans-102.9129.8173.6179.3-117.7000111.1W40 F211 L213 A226 W228 F256 C257 L283 R287W40-F285 HydrophobicContact CH2-CZ 4.07Å; W40-F285 HydrophobicContact CZ2-CE2 4.31Å; W40-F285 AromaticContact CZ2-CZ 3.97Å; W40-F285 HydrophobicContact CZ2-CZ 3.97Å; F211-F285 HydrophobicContact CE2-CE2 4.35Å; F211-F285 AromaticContact CZ-CE2 3.88Å; F211-F285 HydrophobicContact CZ-CE2 3.88Å; L213-F285 HydrophobicContact CD1-CD1 4.1Å; L213-F285 HydrophobicContact CD1-CE1 3.64Å; L213-F285 HydrophobicContact CD1-CE2 4.46Å; L213-F285 HydrophobicContact CD1-CZ 3.84Å; L213-F285 HydrophobicContact CD2-CE1 3.92Å; L213-F285 HydrophobicContact CD2-CZ 3.88Å; L213-F285 HydrophobicContact CG-CE1 4.44Å; L213-F285 HydrophobicContact CG-CZ 4.4Å; A226-F285 HydrophobicContact CB-CD2 4.31Å; A226-F285 HydrophobicContact CB-CG 4.48Å; W228-F285 HydrophobicContact CB-CD1 4.27Å; W228-F285 HydrophobicContact CB-CE1 4.25Å; F256-F285 HydrophobicContact CD1-CB 3.96Å; F256-F285 HydrophobicContact CE1-CB 3.93Å; F256-F285 HydrophobicContact CE1-CD2 4Å; F256-F285 HydrophobicContact CE1-CG 4.44Å; F256-F285 HydrophobicContact CZ-CD2 4.34Å; C257-F285 PolarHBondContact O-N 3.1Å; L283-F285 PolarHBondContact O-N 2.91Å; F285-R287 HydrophobicContact CE1-CB 3.7Å; F285-R287 HydrophobicContact CE2-CB 4.46Å; F285-R287 HydrophobicContact CZ-CB 3.67Å; F285-R287 HydrophobicContact CZ-CG 4.35Å
286F98.9Very high98.4Very high0 Ų026.3 Ų26.30%013%0.128CC..  trans-128.894.9-169.7-179.4-146.6000112.1Y9 H10 V261 Y277 G280 A281 I314 R317Y9-F286 AromaticContact CD2-CD1 3.61Å; Y9-F286 HydrophobicContact CD2-CD1 3.61Å; Y9-F286 HydrophobicContact CD2-CD2 4.02Å; Y9-F286 AromaticContact CD2-CE1 3.43Å; Y9-F286 HydrophobicContact CD2-CE1 3.43Å; Y9-F286 VanDerWaalsContact CD2-CE1 3.43Å; Y9-F286 AromaticContact CD2-CE2 3.84Å; Y9-F286 HydrophobicContact CD2-CE2 3.84Å; Y9-F286 AromaticContact CD2-CG 3.91Å; Y9-F286 HydrophobicContact CD2-CG 3.91Å; Y9-F286 AromaticContact CD2-CZ 3.56Å; Y9-F286 HydrophobicContact CD2-CZ 3.56Å; Y9-F286 HydrophobicContact CE2-CD2 4.43Å; Y9-F286 HydrophobicContact CE2-CE1 4.38Å; Y9-F286 HydrophobicContact CE2-CE2 4.09Å; Y9-F286 HydrophobicContact CE2-CZ 4.08Å; Y9-F286 HydrophobicContact CG-CD1 4.16Å; Y9-F286 AromaticContact CG-CE1 3.9Å; Y9-F286 HydrophobicContact CG-CE1 3.9Å; Y9-F286 HydrophobicContact CG-CZ 4.34Å; H10-F286 WeakPolarHBondContact CB-O 3.3Å; H10-F286 PolarHBondContact N-O 3.17Å; V261-F286 HydrophobicContact CG1-CE2 4.43Å; V261-F286 HydrophobicContact CG2-CD2 3.79Å; V261-F286 HydrophobicContact CG2-CE2 3.83Å; Y277-F286 HydrophobicContact CD1-CE2 4.09Å; Y277-F286 AromaticContact CD1-CZ 3.9Å; Y277-F286 HydrophobicContact CD1-CZ 3.9Å; Y277-F286 HydrophobicContact CE1-CZ 4.48Å; G280-F286 WeakPolarHBondContact O-CD2 3.17Å; A281-F286 HydrophobicContact CB-CE1 4.27Å; A281-F286 HydrophobicContact CB-CZ 4.12Å; F286-I314 HydrophobicContact CE1-CG1 3.98Å; F286-I314 HydrophobicContact CZ-CG1 3.87Å; F286-R317 HydrophobicContact CD1-CG 3.98Å; F286-R317 HydrophobicContact CE1-CB 4.44Å; F286-R317 HydrophobicContact CE1-CG 4.26Å
287R98.9Very high98.4Very high0 Ų026.9 Ų26.90%013%0.13CC..EExtended strand (participates in β ladder)trans-130.8128.5-177.7-176.6-178.375.5163.75.1112H10 C12 D260 V261 F285 H289H10-R287 HydrophobicContact CB-CB 3.82Å; H10-R287 HydrophobicContact CB-CG 3.85Å; H10-R287 WeakPolarHBondContact O-CA 3.41Å; C12-R287 HydrophobicContact CB-CG 4.07Å; D260-R287 IonicContact OD1-CZ 3.72Å; D260-R287 VanDerWaalsContact OD1-CZ 3.27Å; D260-R287 IonicContact OD1-NE 3.96Å; D260-R287 PolarHBondContact OD1-NE 3.38Å; D260-R287 IonicContact OD1-NH2 2.86Å; D260-R287 PolarHBondContact OD1-NH2 2.76Å; D260-R287 IonicContact OD2-NH2 2.7Å; D260-R287 PolarHBondContact OD2-NH2 2.86Å; V261-R287 WeakPolarHBondContact CB-O 3.18Å; V261-R287 WeakPolarHBondContact CG2-O 3.41Å; V261-R287 PolarHBondContact N-O 2.82Å; F285-R287 HydrophobicContact CE1-CB 3.7Å; F285-R287 HydrophobicContact CE2-CB 4.46Å; F285-R287 HydrophobicContact CZ-CB 3.67Å; F285-R287 HydrophobicContact CZ-CG 4.35Å; R287-H289 HydrophobicContact CG-CB 4.36Å; R287-H289 PolarHBondContact NH2-CD2 3.5Å; R287-H289 VanDerWaalsContact NH2-CD2 3.3Å
288G98.7Very high98.4Very high3 Ų326.9 Ų26.93%0.03113%0.131CC..EExtended strand (participates in β ladder)trans-83.8128.7159.700000109.7H10 C12H10-G288 PolarHBondContact O-N 2.77Å; C12-G288 CarbonylContact C-O 3.55Å; C12-G288 VanDerWaalsContact CA-O 3.3Å; C12-G288 WeakPolarHBondContact CA-O 3.46Å; C12-G288 WeakPolarHBondContact CB-O 3.32Å; C12-G288 PolarHBondContact N-O 3.37Å
289H98.8Very high98.3Very high3 Ų326.5 Ų26.51%0.01413%0.129CC..  trans-150.1149.5179.4-178.446.9000110.1C12 D42 W153 D260 F264 R287 R297C12-H289 HydrophobicContact CB-CB 4.05Å; C12-H289 WeakPolarHBondContact O-CA 3.46Å; C12-H289 VanDerWaalsContact SG-CE1 3.59Å; C12-H289 PolarHBondContact SG-ND1 3.22Å; D42-H289 IonicContact OD2-CE1 3.55Å; D42-H289 PolarHBondContact OD2-CE1 2.87Å; D42-H289 VanDerWaalsContact OD2-CE1 3.29Å; D42-H289 IonicContact OD2-NE2 2.65Å; W153-H289 AromaticContact CH2-NE2 3.83Å; D260-H289 HydrophobicContact CB-CB 4.09Å; D260-H289 WeakPolarHBondContact OD1-CB 3.4Å; D260-H289 IonicContact OD2-CD2 2.77Å; D260-H289 PolarHBondContact OD2-CD2 3.25Å; F264-H289 AromaticContact CD2-CD2 3.43Å; F264-H289 VanDerWaalsContact CD2-CD2 3.43Å; F264-H289 WeakPolarHBondContact CD2-CD2 3.49Å; F264-H289 AromaticContact CD2-NE2 3.51Å; F264-H289 AromaticContact CE2-CD2 3.73Å; F264-H289 AromaticContact CE2-CE1 3.94Å; F264-H289 AromaticContact CE2-NE2 3.25Å; F264-H289 VanDerWaalsContact CE2-NE2 3.25Å; F264-H289 WeakPolarHBondContact CE2-NE2 3.49Å; R287-H289 HydrophobicContact CG-CB 4.36Å; R287-H289 PolarHBondContact NH2-CD2 3.5Å; R287-H289 VanDerWaalsContact NH2-CD2 3.3Å; H289-R297 PolarHBondContact O-NH2 3.12Å
290S98.5Very high98.3Very high1 Ų128.6 Ų28.61%0.00714%0.137CC..  trans-149.8151-17478.70000112.3R13 W14 T294 R297R13-S290 VanDerWaalsContact CB-OG 3.3Å; R13-S290 WeakPolarHBondContact CB-OG 3.3Å; R13-S290 PolarHBondContact NH1-OG 3.02Å; W14-S290 PolarHBondContact N-O 2.95Å; S290-T294 VanDerWaalsContact CB-OG1 3.23Å; S290-T294 WeakPolarHBondContact CB-OG1 3.42Å; S290-T294 PolarHBondContact OG-OG1 3.28Å; S290-T294 VanDerWaalsContact OG-OG1 3.07Å; S290-R297 VanDerWaalsContact CB-NE 3.31Å
291A97.9Very high98.3Very high6 Ų632.4 Ų32.45%0.0516%0.156CC..  trans-71.3163.2177.200000112.5F264 D293 T294F264-A291 HydrophobicContact CD1-CB 4.12Å; F264-A291 HydrophobicContact CD2-CB 4.22Å; F264-A291 HydrophobicContact CE1-CB 3.82Å; F264-A291 HydrophobicContact CE2-CB 3.92Å; F264-A291 HydrophobicContact CG-CB 4.33Å; F264-A291 HydrophobicContact CZ-CB 3.73Å; F264-A291 WeakPolarHBondContact O-CB 3.42Å; F264-A291 PolarHBondContact O-N 2.95Å; A291-D293 VanDerWaalsContact C-N 3.32Å; A291-D293 PolarHBondContact O-N 3.13Å; A291-T294 HydrophobicContact CB-CG2 4.04Å; A291-T294 PolarHBondContact O-N 2.72Å; A291-T294 PolarHBondContact O-OG1 3.11Å
292N96.8Very high98.2Very high92 Ų9235 Ų3549%0.49217%0.167SC..THydrogen-bonded Turntrans-59.8-39-173.8-168.731.2000114.1W14 T294W14-N292 HydrophobicContact CB-CB 4.32Å; W14-N292 HydrophobicContact CD2-CB 3.65Å; W14-N292 HydrophobicContact CE3-CB 4.07Å; W14-N292 HydrophobicContact CG-CB 3.77Å; W14-N292 HydrophobicContact CZ2-CB 4.4Å; W14-N292 VanDerWaalsContact O-CA 3.28Å; W14-N292 WeakPolarHBondContact O-CA 3.49Å; N292-T294 VanDerWaalsContact C-N 3.28Å; N292-T294 PolarHBondContact O-N 3.39Å
293D95.4Very high98.1Very high136 Ų13636.1 Ų36.173%0.72718%0.183SC*.THydrogen-bonded Turntrans-83.1-1.3-176.464.1-23.7000113.9A291A291-D293 VanDerWaalsContact C-N 3.32Å; A291-D293 PolarHBondContact O-N 3.13Å
294T98.1Very high98.1Very high9 Ų941.3 Ų41.36%0.05521%0.207CC..SBendtrans-84.4152.6178.565.80000112.6R13 S290 A291 N292R13-T294 PolarHBondContact NH2-O 2.81Å; R13-T294 VanDerWaalsContact NH2-O 3.1Å; S290-T294 VanDerWaalsContact CB-OG1 3.23Å; S290-T294 WeakPolarHBondContact CB-OG1 3.42Å; S290-T294 PolarHBondContact OG-OG1 3.28Å; S290-T294 VanDerWaalsContact OG-OG1 3.07Å; A291-T294 HydrophobicContact CB-CG2 4.04Å; A291-T294 PolarHBondContact O-N 2.72Å; A291-T294 PolarHBondContact O-OG1 3.11Å; N292-T294 VanDerWaalsContact C-N 3.28Å; N292-T294 PolarHBondContact O-N 3.39Å
295K98.1Very high98Very high146 Ų14648.1 Ų48.164%0.63524%0.239SC*.PPolyproline II helixtrans-63157.4174.1-66.4172.7-169.5158.50111R13 D267 R297R13-K295 PolarHBondContact NH1-O 2.82Å; D267-K295 WeakPolarHBondContact OD1-CB 3.27Å; D267-K295 PolarHBondContact OD1-N 3.4Å; D267-K295 WeakPolarHBondContact OD2-CD 3.46Å; D267-K295 VanDerWaalsContact OD2-CE 3.26Å; D267-K295 WeakPolarHBondContact OD2-CE 3.28Å; D267-K295 IonicContact OD2-NZ 3.48Å; D267-K295 PolarHBondContact OD2-NZ 2.9Å; K295-R297 PolarHBondContact O-N 3.5Å
296R98.4Very high98Very high106 Ų10648.6 Ų48.640%0.424%0.242SC..PPolyproline II helixtrans-61.8133169-69-101.4-92.3-127.46.6108.9D21 E298 L301D21-R296 VanDerWaalsContact CG-NH1 3.31Å; D21-R296 IonicContact OD1-CZ 3.37Å; D21-R296 VanDerWaalsContact OD1-CZ 3.23Å; D21-R296 IonicContact OD1-NH1 3.44Å; D21-R296 PolarHBondContact OD1-NH1 3.13Å; D21-R296 IonicContact OD1-NH2 2.93Å; D21-R296 PolarHBondContact OD1-NH2 3.47Å; D21-R296 IonicContact OD2-CZ 3.59Å; D21-R296 IonicContact OD2-NH1 3.27Å; D21-R296 PolarHBondContact OD2-NH1 3.34Å; R296-E298 IonicContact NE-OE2 3.44Å; R296-L301 HydrophobicContact CB-CD1 3.62Å
297R98.2Very high98Very high14 Ų1448.8 Ų48.85%0.05324%0.243CC..  trans-143.331.7-175.363.5178.5-177.9-163.1-0.2113.3G262 G263 K266 H289 S290 K295 F302G262-R297 PolarHBondContact O-NH1 3.22Å; G262-R297 VanDerWaalsContact O-NH1 3.09Å; G263-R297 VanDerWaalsContact O-CZ 3.25Å; G263-R297 PolarHBondContact O-NH1 2.94Å; G263-R297 PolarHBondContact O-NH2 3.17Å; K266-R297 PolarHBondContact O-NH1 2.78Å; H289-R297 PolarHBondContact O-NH2 3.12Å; S290-R297 VanDerWaalsContact CB-NE 3.31Å; K295-R297 PolarHBondContact O-N 3.5Å; R297-F302 HydrophobicContact CB-CE2 3.67Å; R297-F302 HydrophobicContact CB-CZ 3.77Å
298E98.8Very high98Very high5 Ų550 Ų502%0.02325%0.253CS..  trans-50.4143.4163.9-70.368.6-151.600109.7Y16 V25 R296 W300 L301Y16-E298 VanDerWaalsContact CE1-OE1 3.24Å; Y16-E298 WeakPolarHBondContact CE1-OE1 3.32Å; Y16-E298 PolarHBondContact OH-OE1 2.89Å; V25-E298 HydrophobicContact CG1-CG 4.29Å; V25-E298 HydrophobicContact CG2-CG 4.37Å; R296-E298 IonicContact NE-OE2 3.44Å; E298-W300 HydrophobicContact CB-CD2 4.08Å; E298-W300 HydrophobicContact CB-CE3 4.32Å; E298-W300 HydrophobicContact CB-CH2 3.85Å; E298-W300 HydrophobicContact CB-CZ2 3.57Å; E298-W300 HydrophobicContact CB-CZ3 4.21Å; E298-W300 HydrophobicContact CG-CH2 4.01Å; E298-W300 HydrophobicContact CG-CZ2 3.78Å; E298-W300 PolarHBondContact O-N 3.31Å; E298-L301 HydrophobicContact CB-CD1 4.13Å; E298-L301 HydrophobicContact CB-CG 4.26Å; E298-L301 WeakPolarHBondContact O-CB 3.43Å; E298-L301 WeakPolarHBondContact O-CG 3.3Å; E298-L301 PolarHBondContact O-N 2.96Å; E298-L301 VanDerWaalsContact OE2-CD1 3.25Å; E298-L301 WeakPolarHBondContact OE2-CD1 3.48Å
299P98.1Very high97.9Very high0 Ų050 Ų500%025%0.253CS..THydrogen-bonded Turntrans-51.3-22.8-167.6-34.236.8000117.3F29 I34 Y277 T307 I310F29-P299 HydrophobicContact CE1-CG 4.14Å; F29-P299 HydrophobicContact CZ-CG 4.37Å; I34-P299 HydrophobicContact CD1-CB 3.59Å; I34-P299 HydrophobicContact CD1-CG 4.4Å; Y277-P299 HydrophobicContact CE1-CG 4.37Å; P299-T307 PolarHBondContact O-OG1 2.78Å; P299-I310 HydrophobicContact CB-CG2 3.75Å; P299-I310 HydrophobicContact CG-CG2 4.2Å
300W98.4Very high97.9Very high43 Ų4349.9 Ų49.916%0.16325%0.252CS..THydrogen-bonded Turntrans-955-175.355.882.2000115V25 F29 H32 I34 E298 T307V25-W300 HydrophobicContact CG1-CH2 4.15Å; V25-W300 WeakPolarHBondContact O-CH2 3.38Å; F29-W300 HydrophobicContact CB-CZ3 4.39Å; F29-W300 AromaticContact CD1-CZ3 3.89Å; F29-W300 HydrophobicContact CD1-CZ3 3.89Å; F29-W300 AromaticContact CD2-CH2 3.67Å; F29-W300 HydrophobicContact CD2-CH2 3.67Å; F29-W300 AromaticContact CD2-CZ3 3.69Å; F29-W300 HydrophobicContact CD2-CZ3 3.69Å; F29-W300 AromaticContact CE1-CZ3 3.94Å; F29-W300 HydrophobicContact CE1-CZ3 3.94Å; F29-W300 AromaticContact CE2-CH2 3.71Å; F29-W300 HydrophobicContact CE2-CH2 3.71Å; F29-W300 AromaticContact CE2-CZ3 3.75Å; F29-W300 HydrophobicContact CE2-CZ3 3.75Å; F29-W300 HydrophobicContact CG-CH2 4.15Å; F29-W300 AromaticContact CG-CZ3 3.73Å; F29-W300 HydrophobicContact CG-CZ3 3.73Å; F29-W300 HydrophobicContact CZ-CH2 4.23Å; F29-W300 AromaticContact CZ-CZ3 3.85Å; F29-W300 HydrophobicContact CZ-CZ3 3.85Å; H32-W300 HydrophobicContact CB-CB 4.24Å; H32-W300 HydrophobicContact CB-CE3 4.47Å; H32-W300 VanDerWaalsContact CD2-CB 3.43Å; H32-W300 WeakPolarHBondContact CD2-CB 3.42Å; H32-W300 AromaticContact CD2-CD1 3.88Å; H32-W300 AromaticContact CD2-CD2 3.64Å; H32-W300 AromaticContact CD2-CG 3.34Å; H32-W300 AromaticContact CG-CG 3.93Å; H32-W300 AromaticContact NE2-CD1 3.69Å; H32-W300 AromaticContact NE2-CG 3.56Å; I34-W300 HydrophobicContact CD1-CE3 4.41Å; E298-W300 HydrophobicContact CB-CD2 4.08Å; E298-W300 HydrophobicContact CB-CE3 4.32Å; E298-W300 HydrophobicContact CB-CH2 3.85Å; E298-W300 HydrophobicContact CB-CZ2 3.57Å; E298-W300 HydrophobicContact CB-CZ3 4.21Å; E298-W300 HydrophobicContact CG-CH2 4.01Å; E298-W300 HydrophobicContact CG-CZ2 3.78Å; E298-W300 PolarHBondContact O-N 3.31Å; W300-T307 WeakPolarHBondContact CA-OG1 3.19Å; W300-T307 HydrophobicContact CB-CG2 4.08Å
301L98.3Very high98Very high84 Ų8452.2 Ų52.244%0.4426%0.261SS..THydrogen-bonded Turntrans-88.5-2.4-173.9-64.8-179.6000114.9R296 E298R296-L301 HydrophobicContact CB-CD1 3.62Å; E298-L301 HydrophobicContact CB-CD1 4.13Å; E298-L301 HydrophobicContact CB-CG 4.26Å; E298-L301 WeakPolarHBondContact O-CB 3.43Å; E298-L301 WeakPolarHBondContact O-CG 3.3Å; E298-L301 PolarHBondContact O-N 2.96Å; E298-L301 VanDerWaalsContact OE2-CD1 3.25Å; E298-L301 WeakPolarHBondContact OE2-CD1 3.48Å
302F96.9Very high98Very high61 Ų6154.7 Ų54.727%0.26828%0.275SS..THydrogen-bonded Turntrans-114.722.8-171.3-64-93.8000113.9P270 L273 R297 V306P270-F302 HydrophobicContact CB-CD1 4.26Å; P270-F302 HydrophobicContact CG-CD1 4.06Å; L273-F302 HydrophobicContact CD2-CD2 3.49Å; L273-F302 VanDerWaalsContact CD2-CD2 3.49Å; L273-F302 HydrophobicContact CD2-CE1 4.33Å; L273-F302 HydrophobicContact CD2-CE2 3.24Å; L273-F302 HydrophobicContact CD2-CG 4.15Å; L273-F302 HydrophobicContact CD2-CZ 3.71Å; R297-F302 HydrophobicContact CB-CE2 3.67Å; R297-F302 HydrophobicContact CB-CZ 3.77Å; F302-V306 HydrophobicContact CB-CB 3.8Å; F302-V306 HydrophobicContact CB-CG1 3.51Å; F302-V306 HydrophobicContact CB-CG2 4.15Å; F302-V306 HydrophobicContact CG-CG1 4.31Å
303G97.5Very high98Very high44 Ų4450.5 Ų50.545%0.45425%0.253SS..Hα-helixtrans83.9165.4-177.600000113.4E305 V306 T307G303-E305 PolarHBondContact O-N 2.61Å; G303-V306 PolarHBondContact O-N 2.98Å; G303-T307 WeakPolarHBondContact O-CB 3.13Å; G303-T307 PolarHBondContact O-N 3.19Å; G303-T307 PolarHBondContact O-OG1 3.42Å
304E97.7Very high98.2Very high113 Ų11344 Ų4453%0.52822%0.219SC..Hα-helixtrans-67.2-34.6-169.3-177.959.1-154.700113.2T307 A308 R311E304-T307 PolarHBondContact O-N 2.74Å; E304-A308 WeakPolarHBondContact O-CB 3.38Å; E304-A308 PolarHBondContact O-N 2.51Å; E304-R311 IonicContact OE1-CZ 3.13Å; E304-R311 IonicContact OE1-NH1 3.69Å; E304-R311 IonicContact OE1-NH2 3.8Å; E304-R311 PolarHBondContact OE1-NH2 3.23Å
305E97.5Very high98.2Very high144 Ų14446.5 Ų46.567%0.67323%0.23SC*.Hα-helixtrans-59.6-52.4178.5-176178.8179.200111.2G303 T307 A308 A309 L410G303-E305 PolarHBondContact O-N 2.61Å; E305-T307 PolarHBondContact O-N 3.04Å; E305-A308 PolarHBondContact O-N 2.75Å; E305-A309 PolarHBondContact O-N 3.4Å; E305-L410 HydrophobicContact CG-CD2 4.28Å
306V98.2Very high98.2Very high11 Ų1143.9 Ų43.97%0.06722%0.22CC..Hα-helixtrans-64.4-42.7177.1173.80000111.1P270 V274 F302 G303 A308 A309 I310P270-V306 HydrophobicContact CB-CG2 3.71Å; V274-V306 HydrophobicContact CG2-CB 4.29Å; V274-V306 HydrophobicContact CG2-CG1 3.73Å; V274-V306 HydrophobicContact CG2-CG2 4.4Å; F302-V306 HydrophobicContact CB-CB 3.8Å; F302-V306 HydrophobicContact CB-CG1 3.51Å; F302-V306 HydrophobicContact CB-CG2 4.15Å; F302-V306 HydrophobicContact CG-CG1 4.31Å; G303-V306 PolarHBondContact O-N 2.98Å; V306-A308 VanDerWaalsContact C-N 3.3Å; V306-A308 PolarHBondContact O-N 2.87Å; V306-A309 PolarHBondContact O-N 3.44Å; V306-I310 HydrophobicContact CG1-CD1 3.67Å; V306-I310 HydrophobicContact CG1-CG1 4.38Å; V306-I310 WeakPolarHBondContact O-CG1 3.28Å; V306-I310 PolarHBondContact O-N 3.1Å
307T98.6Very high98.2Very high3 Ų339 Ų392%0.01820%0.201CC..Hα-helixtrans-59.2-42.3177.3-55.60000111.1I34 P299 W300 G303 E304 E305 R311I34-T307 HydrophobicContact CD1-CG2 4.26Å; P299-T307 PolarHBondContact O-OG1 2.78Å; W300-T307 WeakPolarHBondContact CA-OG1 3.19Å; W300-T307 HydrophobicContact CB-CG2 4.08Å; G303-T307 WeakPolarHBondContact O-CB 3.13Å; G303-T307 PolarHBondContact O-N 3.19Å; G303-T307 PolarHBondContact O-OG1 3.42Å; E304-T307 PolarHBondContact O-N 2.74Å; E305-T307 PolarHBondContact O-N 3.04Å; T307-R311 WeakPolarHBondContact O-CB 3.48Å; T307-R311 PolarHBondContact O-N 3.37Å
308A98.4Very high98.3Very high27 Ų2738.3 Ų38.322%0.22320%0.199CC..Hα-helixtrans-68.4-41.7-18000000112.1E304 E305 V306 R311 T312E304-A308 WeakPolarHBondContact O-CB 3.38Å; E304-A308 PolarHBondContact O-N 2.51Å; E305-A308 PolarHBondContact O-N 2.75Å; V306-A308 VanDerWaalsContact C-N 3.3Å; V306-A308 PolarHBondContact O-N 2.87Å; A308-R311 PolarHBondContact O-N 2.65Å; A308-T312 WeakPolarHBondContact O-CB 3.39Å; A308-T312 PolarHBondContact O-N 2.95Å; A308-T312 PolarHBondContact O-OG1 3.46Å
309A98.4Very high98.2Very high2 Ų239.8 Ų39.82%0.01721%0.209CC..Hα-helixtrans-63.7-46.8176.300000111.6V274 E305 V306 T312 A313V274-A309 HydrophobicContact CG1-CB 3.7Å; V274-A309 HydrophobicContact CG2-CB 4.05Å; E305-A309 PolarHBondContact O-N 3.4Å; V306-A309 PolarHBondContact O-N 3.44Å; A309-T312 PolarHBondContact O-N 3.42Å; A309-A313 PolarHBondContact O-N 3.1Å
310I98.8Very high98.3Very high0 Ų040.6 Ų40.60%021%0.213CC..Hα-helixtrans-64.3-45.5176.5-66.1169.7000111.1L273 V274 Y277 P299 V306 T312 A313 I314L273-I310 HydrophobicContact CD2-CD1 4.09Å; L273-I310 HydrophobicContact CG-CD1 4.1Å; V274-I310 HydrophobicContact CG2-CG1 4.14Å; Y277-I310 HydrophobicContact CD1-CG2 3.53Å; Y277-I310 HydrophobicContact CD2-CB 4.26Å; Y277-I310 HydrophobicContact CD2-CD1 3.57Å; Y277-I310 HydrophobicContact CD2-CG1 3.58Å; Y277-I310 HydrophobicContact CD2-CG2 3.69Å; Y277-I310 HydrophobicContact CE1-CG2 3.81Å; Y277-I310 HydrophobicContact CE2-CD1 3.77Å; Y277-I310 HydrophobicContact CE2-CG1 4.23Å; Y277-I310 HydrophobicContact CE2-CG2 3.96Å; Y277-I310 HydrophobicContact CG-CB 4.24Å; Y277-I310 HydrophobicContact CG-CD1 4.38Å; Y277-I310 HydrophobicContact CG-CG1 3.92Å; Y277-I310 HydrophobicContact CG-CG2 3.49Å; Y277-I310 VanDerWaalsContact CG-CG2 3.49Å; P299-I310 HydrophobicContact CB-CG2 3.75Å; P299-I310 HydrophobicContact CG-CG2 4.2Å; V306-I310 HydrophobicContact CG1-CD1 3.67Å; V306-I310 HydrophobicContact CG1-CG1 4.38Å; V306-I310 WeakPolarHBondContact O-CG1 3.28Å; V306-I310 PolarHBondContact O-N 3.1Å; I310-T312 PolarHBondContact O-N 3.02Å; I310-A313 PolarHBondContact O-N 3.38Å; I310-I314 HydrophobicContact CG2-CD1 3.69Å; I310-I314 HydrophobicContact CG2-CG1 4.3Å; I310-I314 WeakPolarHBondContact O-CG1 3.32Å; I310-I314 PolarHBondContact O-N 3.03Å
311R98.6Very high98.3Very high50 Ų5038.7 Ų38.719%0.18921%0.206CC..Hα-helixtrans-55.1-43.4175.6175.3171.660.6-150.4-9.1111.1H32 I34 E304 T307 A308 I314 Q315H32-R311 WeakPolarHBondContact O-CD 3.49Å; H32-R311 PolarHBondContact O-NH1 3.32Å; I34-R311 HydrophobicContact CD1-CB 4.29Å; I34-R311 HydrophobicContact CG1-CB 3.87Å; I34-R311 HydrophobicContact CG1-CG 3.98Å; E304-R311 IonicContact OE1-CZ 3.13Å; E304-R311 IonicContact OE1-NH1 3.69Å; E304-R311 IonicContact OE1-NH2 3.8Å; E304-R311 PolarHBondContact OE1-NH2 3.23Å; T307-R311 WeakPolarHBondContact O-CB 3.48Å; T307-R311 PolarHBondContact O-N 3.37Å; A308-R311 PolarHBondContact O-N 2.65Å; R311-I314 PolarHBondContact O-N 2.79Å; R311-Q315 HydrophobicContact CG-CG 4.3Å; R311-Q315 WeakPolarHBondContact O-CB 3.41Å; R311-Q315 VanDerWaalsContact O-CG 3.22Å; R311-Q315 WeakPolarHBondContact O-CG 3.5Å; R311-Q315 PolarHBondContact O-N 3.4Å
312T98.1Very high98.3Very high58 Ų5835.5 Ų35.536%0.35619%0.19SC..Hα-helixtrans-64.4-47179.3-60.30000111.3A308 A309 I310 I314 Q315 Q316A308-T312 WeakPolarHBondContact O-CB 3.39Å; A308-T312 PolarHBondContact O-N 2.95Å; A308-T312 PolarHBondContact O-OG1 3.46Å; A309-T312 PolarHBondContact O-N 3.42Å; I310-T312 PolarHBondContact O-N 3.02Å; T312-I314 VanDerWaalsContact C-N 3.34Å; T312-I314 PolarHBondContact O-N 3.35Å; T312-Q315 PolarHBondContact O-N 3.48Å; T312-Q316 HydrophobicContact CG2-CG 4.48Å; T312-Q316 WeakPolarHBondContact O-CB 3.41Å; T312-Q316 VanDerWaalsContact O-CG 3.31Å; T312-Q316 WeakPolarHBondContact O-CG 3.43Å; T312-Q316 PolarHBondContact O-N 2.81Å
313A98.6Very high98.4Very high4 Ų433.4 Ų33.43%0.03318%0.181CC..Hα-helixtrans-59.4-44.9177.200000112Q278 A281 A309 I310 Q316 R317Q278-A313 HydrophobicContact CG-CB 4.1Å; A281-A313 HydrophobicContact CB-CB 4.41Å; A309-A313 PolarHBondContact O-N 3.1Å; I310-A313 PolarHBondContact O-N 3.38Å; A313-Q316 PolarHBondContact O-N 3.18Å; A313-R317 PolarHBondContact O-N 3.07Å; A313-R317 VanDerWaalsContact O-N 3.08Å
314I98.8Very high98.4Very high0 Ų031.5 Ų31.50%016%0.16CC..Hα-helixtrans-64.4-50.1176.9-65.5171.9000110.1Y9 I34 P35 Y277 F286 I310 R311 T312 Q316 R317 Y318Y9-I314 HydrophobicContact CD1-CD1 4.05Å; Y9-I314 HydrophobicContact CE1-CD1 4.24Å; Y9-I314 HydrophobicContact CG-CD1 4.31Å; I34-I314 HydrophobicContact CG2-CB 4.32Å; I34-I314 HydrophobicContact CG2-CD1 3.45Å; I34-I314 VanDerWaalsContact CG2-CD1 3.45Å; I34-I314 HydrophobicContact CG2-CG1 4.47Å; I34-I314 HydrophobicContact CG2-CG2 4.09Å; P35-I314 HydrophobicContact CG-CG2 3.94Å; P35-I314 WeakPolarHBondContact O-CG2 3.41Å; Y277-I314 HydrophobicContact CD1-CD1 3.97Å; Y277-I314 HydrophobicContact CD1-CG1 4.11Å; Y277-I314 HydrophobicContact CE1-CD1 3.92Å; Y277-I314 HydrophobicContact CE1-CG1 4.49Å; F286-I314 HydrophobicContact CE1-CG1 3.98Å; F286-I314 HydrophobicContact CZ-CG1 3.87Å; I310-I314 HydrophobicContact CG2-CD1 3.69Å; I310-I314 HydrophobicContact CG2-CG1 4.3Å; I310-I314 WeakPolarHBondContact O-CG1 3.32Å; I310-I314 PolarHBondContact O-N 3.03Å; R311-I314 PolarHBondContact O-N 2.79Å; T312-I314 VanDerWaalsContact C-N 3.34Å; T312-I314 PolarHBondContact O-N 3.35Å; I314-Q316 VanDerWaalsContact C-N 3.28Å; I314-Q316 PolarHBondContact O-N 3.48Å; I314-R317 WeakPolarHBondContact O-CB 3.49Å; I314-R317 PolarHBondContact O-N 3.15Å; I314-R317 VanDerWaalsContact O-N 3.08Å; I314-Y318 HydrophobicContact CG2-CD2 3.93Å; I314-Y318 HydrophobicContact CG2-CE2 3.77Å; I314-Y318 VanDerWaalsContact O-CD2 3.29Å; I314-Y318 WeakPolarHBondContact O-CD2 3.22Å; I314-Y318 PolarHBondContact O-N 2.86Å; I314-Y318 VanDerWaalsContact O-N 3.07Å
315Q98.6Very high98.5Very high61 Ų6126.6 Ų26.629%0.28514%0.136SC..Hα-helixtrans-58.9-39.2178.9-74.2174.5-7.200112.4K33 P35 R311 T312 Y318 C319K33-Q315 PolarHBondContact O-NE2 2.71Å; P35-Q315 HydrophobicContact CG-CG 4.15Å; R311-Q315 HydrophobicContact CG-CG 4.3Å; R311-Q315 WeakPolarHBondContact O-CB 3.41Å; R311-Q315 VanDerWaalsContact O-CG 3.22Å; R311-Q315 WeakPolarHBondContact O-CG 3.5Å; R311-Q315 PolarHBondContact O-N 3.4Å; T312-Q315 PolarHBondContact O-N 3.48Å; Q315-Y318 PolarHBondContact O-N 3.35Å; Q315-C319 PolarHBondContact O-N 3.11Å; Q315-C319 PolarHBondContact O-SG 2.91Å
316Q97.8Very high98.6Very high92 Ų9219.9 Ų19.943%0.4311%0.105SC..Hα-helixtrans-59.7-46.5173.6-76.7179-15.400111.8T312 A313 I314 Y318 C319 F320T312-Q316 HydrophobicContact CG2-CG 4.48Å; T312-Q316 WeakPolarHBondContact O-CB 3.41Å; T312-Q316 VanDerWaalsContact O-CG 3.31Å; T312-Q316 WeakPolarHBondContact O-CG 3.43Å; T312-Q316 PolarHBondContact O-N 2.81Å; A313-Q316 PolarHBondContact O-N 3.18Å; I314-Q316 VanDerWaalsContact C-N 3.28Å; I314-Q316 PolarHBondContact O-N 3.48Å; Q316-Y318 VanDerWaalsContact C-N 3.27Å; Q316-Y318 PolarHBondContact O-N 2.85Å; Q316-C319 WeakPolarHBondContact O-CB 3.29Å; Q316-C319 PolarHBondContact O-N 3.49Å; Q316-C319 VanDerWaalsContact O-N 3.15Å; Q316-F320 WeakPolarHBondContact O-CD2 3.36Å; Q316-F320 PolarHBondContact O-N 3.12Å
317R98.7Very high98.6Very high3 Ų319.6 Ų19.61%0.01110%0.103CC..Hα-helixtrans-52.5-46.9172.6165.654.4165.7-1044.1111.5L7 A281 L283 P284 F286 A313 I314 C319 F320 L321L7-R317 PolarHBondContact O-NE 3.14Å; L7-R317 PolarHBondContact O-NH2 2.79Å; A281-R317 HydrophobicContact CB-CB 4Å; A281-R317 WeakPolarHBondContact O-CD 3.47Å; A281-R317 PolarHBondContact O-NH1 3.08Å; L283-R317 PolarHBondContact O-NH1 3.4Å; P284-R317 PolarHBondContact O-NH2 3.34Å; F286-R317 HydrophobicContact CD1-CG 3.98Å; F286-R317 HydrophobicContact CE1-CB 4.44Å; F286-R317 HydrophobicContact CE1-CG 4.26Å; A313-R317 PolarHBondContact O-N 3.07Å; A313-R317 VanDerWaalsContact O-N 3.08Å; I314-R317 WeakPolarHBondContact O-CB 3.49Å; I314-R317 PolarHBondContact O-N 3.15Å; I314-R317 VanDerWaalsContact O-N 3.08Å; R317-C319 PolarHBondContact O-N 2.68Å; R317-F320 PolarHBondContact O-N 3.3Å; R317-F320 VanDerWaalsContact O-N 3.15Å; R317-L321 PolarHBondContact O-N 3.1Å
318Y98.8Very high98.6Very high0 Ų019.8 Ų19.80%010%0.104CC..Hα-helixtrans-64.3-39.7178.8-82.7-100.1000113.3Y9 P35 Y36 D37 I314 Q315 Q316 F320 L321 T433 Y436Y9-Y318 PolarHBondContact N-OH 3.22Å; P35-Y318 HydrophobicContact CB-CD1 4.06Å; P35-Y318 HydrophobicContact CB-CD2 3.96Å; P35-Y318 HydrophobicContact CB-CE1 3.95Å; P35-Y318 HydrophobicContact CB-CE2 3.83Å; P35-Y318 HydrophobicContact CB-CG 4.08Å; P35-Y318 HydrophobicContact CG-CD1 4.36Å; P35-Y318 HydrophobicContact CG-CD2 3.58Å; P35-Y318 HydrophobicContact CG-CE2 3.83Å; P35-Y318 HydrophobicContact CG-CG 3.87Å; Y36-Y318 VanDerWaalsContact C-OH 3.28Å; Y36-Y318 WeakPolarHBondContact CA-OH 3.35Å; Y36-Y318 PolarHBondContact N-OH 2.89Å; D37-Y318 PolarHBondContact N-OH 3.27Å; D37-Y318 WeakPolarHBondContact OD2-CE1 3.27Å; D37-Y318 PolarHBondContact OD2-OH 3.47Å; I314-Y318 HydrophobicContact CG2-CD2 3.93Å; I314-Y318 HydrophobicContact CG2-CE2 3.77Å; I314-Y318 VanDerWaalsContact O-CD2 3.29Å; I314-Y318 WeakPolarHBondContact O-CD2 3.22Å; I314-Y318 PolarHBondContact O-N 2.86Å; I314-Y318 VanDerWaalsContact O-N 3.07Å; Q315-Y318 PolarHBondContact O-N 3.35Å; Q316-Y318 VanDerWaalsContact C-N 3.27Å; Q316-Y318 PolarHBondContact O-N 2.85Å; Y318-F320 PolarHBondContact O-N 2.7Å; Y318-L321 HydrophobicContact CD1-CD1 3.59Å; Y318-L321 HydrophobicContact CE1-CD1 4.16Å; Y318-L321 HydrophobicContact CG-CD1 4.07Å; Y318-L321 WeakPolarHBondContact O-CB 3.33Å; Y318-L321 WeakPolarHBondContact O-CG 3.39Å; Y318-L321 PolarHBondContact O-N 3.18Å; Y318-L321 VanDerWaalsContact O-N 3.16Å; Y318-T433 HydrophobicContact CD1-CG2 4.46Å; Y318-T433 HydrophobicContact CE1-CG2 3.9Å; Y318-Y436 VanDerWaalsContact CB-CZ 3.41Å; Y318-Y436 AromaticContact CD1-CD2 3.5Å; Y318-Y436 HydrophobicContact CD1-CD2 3.5Å; Y318-Y436 AromaticContact CD1-CE2 3.62Å; Y318-Y436 HydrophobicContact CD1-CE2 3.62Å; Y318-Y436 HydrophobicContact CD1-CG 4.02Å; Y318-Y436 HydrophobicContact CE1-CD2 4.42Å; Y318-Y436 HydrophobicContact CG-CD2 4.17Å; Y318-Y436 AromaticContact CG-CE2 3.89Å; Y318-Y436 HydrophobicContact CG-CE2 3.89Å
319C98.2Very high98.6Very high35 Ų3519.5 Ų19.524%0.23610%0.098CC..Hα-helixtrans-60.3-34.4173.5-66.40000112.2Q315 Q316 R317 L321 P322 R425 S426Q315-C319 PolarHBondContact O-N 3.11Å; Q315-C319 PolarHBondContact O-SG 2.91Å; Q316-C319 WeakPolarHBondContact O-CB 3.29Å; Q316-C319 PolarHBondContact O-N 3.49Å; Q316-C319 VanDerWaalsContact O-N 3.15Å; R317-C319 PolarHBondContact O-N 2.68Å; C319-L321 VanDerWaalsContact C-N 3.34Å; C319-P322 WeakPolarHBondContact O-CD 3.34Å; C319-R425 CarbonylContact O-C 3.12Å; C319-R425 WeakPolarHBondContact O-CA 3.49Å; C319-R425 WeakPolarHBondContact O-CB 3.45Å; C319-S426 PolarHBondContact O-N 2.99Å
320F98.6Very high98.6Very high17 Ų1721.8 Ų21.88%0.07511%0.108CC..THydrogen-bonded Turntrans-84.22.1178.4-77.9-73.4000114.6Q316 R317 Y318 P322 F323 W324 L365 I392 V423 R425Q316-F320 WeakPolarHBondContact O-CD2 3.36Å; Q316-F320 PolarHBondContact O-N 3.12Å; R317-F320 PolarHBondContact O-N 3.3Å; R317-F320 VanDerWaalsContact O-N 3.15Å; Y318-F320 PolarHBondContact O-N 2.7Å; F320-P322 VanDerWaalsContact C-CD 3.49Å; F320-F323 HydrophobicContact CD1-CB 4.44Å; F320-F323 HydrophobicContact CD1-CD1 4.46Å; F320-F323 WeakPolarHBondContact O-CA 3.44Å; F320-F323 WeakPolarHBondContact O-CB 3.39Å; F320-F323 PolarHBondContact O-N 3.05Å; F320-W324 PolarHBondContact O-N 3.04Å; F320-L365 HydrophobicContact CD1-CD1 4.09Å; F320-L365 HydrophobicContact CE1-CD1 3.63Å; F320-L365 HydrophobicContact CZ-CD1 4.21Å; F320-I392 HydrophobicContact CE2-CD1 4.22Å; F320-I392 HydrophobicContact CZ-CD1 3.94Å; F320-V423 HydrophobicContact CD1-CG1 4.34Å; F320-V423 HydrophobicContact CE1-CG1 4.11Å; F320-R425 HydrophobicContact CD1-CG 3.94Å; F320-R425 HydrophobicContact CE1-CG 3.94Å; F320-R425 VanDerWaalsContact CE1-CZ 3.45Å; F320-R425 VanDerWaalsContact CZ-CZ 3.42Å
321L98.6Very high98.6Very high4 Ų422.8 Ų22.82%0.02112%0.116CC..Hα-helixtrans-55.5-40.1-179-77.5167.9000114.6L4 L7 R317 Y318 C319 F323 W324 Y325 T433L4-L321 HydrophobicContact CD1-CD2 4.31Å; L7-L321 HydrophobicContact CB-CD2 3.77Å; L7-L321 WeakPolarHBondContact O-CD2 3.35Å; R317-L321 PolarHBondContact O-N 3.1Å; Y318-L321 HydrophobicContact CD1-CD1 3.59Å; Y318-L321 HydrophobicContact CE1-CD1 4.16Å; Y318-L321 HydrophobicContact CG-CD1 4.07Å; Y318-L321 WeakPolarHBondContact O-CB 3.33Å; Y318-L321 WeakPolarHBondContact O-CG 3.39Å; Y318-L321 PolarHBondContact O-N 3.18Å; Y318-L321 VanDerWaalsContact O-N 3.16Å; C319-L321 VanDerWaalsContact C-N 3.34Å; L321-F323 VanDerWaalsContact C-N 3.25Å; L321-F323 PolarHBondContact O-N 3.33Å; L321-W324 PolarHBondContact O-N 3.19Å; L321-Y325 WeakPolarHBondContact O-CB 3.47Å; L321-Y325 PolarHBondContact O-N 2.89Å; L321-T433 HydrophobicContact CD1-CG2 3.49Å; L321-T433 VanDerWaalsContact CD1-CG2 3.49Å; L321-T433 HydrophobicContact CD2-CG2 4.34Å
322P98.6Very high98.5Very high16 Ų1624.5 Ų24.510%0.10413%0.126CC..Hα-helixtrans-59.1-37.5174.9-25.335.5000112.9C319 F320 T326 C424 S426 L441 L457C319-P322 WeakPolarHBondContact O-CD 3.34Å; F320-P322 VanDerWaalsContact C-CD 3.49Å; P322-T326 WeakPolarHBondContact O-CB 3.34Å; P322-T326 PolarHBondContact O-N 3.4Å; P322-T326 VanDerWaalsContact O-N 3.11Å; P322-T326 PolarHBondContact O-OG1 3.22Å; P322-C424 HydrophobicContact CB-CB 4.48Å; P322-S426 WeakPolarHBondContact CG-OG 3.37Å; P322-L441 HydrophobicContact CB-CD2 4.28Å; P322-L441 HydrophobicContact CG-CD2 3.83Å; P322-L457 HydrophobicContact CB-CD1 3.87Å
323F98.9Very high98.4Very high17 Ų1725.8 Ų25.88%0.07513%0.134CC..Hα-helixtrans-69.8-51.8175.7-178.4-119.4000111.4F320 L321 Y325 T326 L327 I361 A364 L365 V423F320-F323 HydrophobicContact CD1-CB 4.44Å; F320-F323 HydrophobicContact CD1-CD1 4.46Å; F320-F323 WeakPolarHBondContact O-CA 3.44Å; F320-F323 WeakPolarHBondContact O-CB 3.39Å; F320-F323 PolarHBondContact O-N 3.05Å; L321-F323 VanDerWaalsContact C-N 3.25Å; L321-F323 PolarHBondContact O-N 3.33Å; F323-Y325 VanDerWaalsContact C-N 3.29Å; F323-Y325 PolarHBondContact O-N 3.11Å; F323-T326 WeakPolarHBondContact O-CB 3.49Å; F323-T326 PolarHBondContact O-N 3.17Å; F323-T326 VanDerWaalsContact O-N 3.12Å; F323-L327 HydrophobicContact CD1-CD1 4.11Å; F323-L327 HydrophobicContact CE1-CD1 3.65Å; F323-L327 HydrophobicContact CE1-CG 4.37Å; F323-L327 HydrophobicContact CE2-CD1 4.35Å; F323-L327 HydrophobicContact CE2-CD2 4.07Å; F323-L327 HydrophobicContact CE2-CG 4.24Å; F323-L327 HydrophobicContact CZ-CD1 3.78Å; F323-L327 HydrophobicContact CZ-CD2 4.09Å; F323-L327 HydrophobicContact CZ-CG 4.15Å; F323-L327 WeakPolarHBondContact O-CG 3.49Å; F323-L327 PolarHBondContact O-N 2.82Å; F323-I361 HydrophobicContact CD1-CG2 4.46Å; F323-I361 HydrophobicContact CE1-CB 4.31Å; F323-I361 HydrophobicContact CE1-CG2 3.8Å; F323-I361 WeakPolarHBondContact CZ-O 3.43Å; F323-A364 HydrophobicContact CE2-CB 4.04Å; F323-A364 HydrophobicContact CZ-CB 3.87Å; F323-L365 HydrophobicContact CD1-CD1 3.96Å; F323-L365 HydrophobicContact CE1-CD1 3.64Å; F323-L365 HydrophobicContact CE1-CG 3.94Å; F323-L365 HydrophobicContact CZ-CD1 4.47Å; F323-L365 HydrophobicContact CZ-CG 4.32Å; F323-V423 HydrophobicContact CB-CG1 4.16Å; F323-V423 HydrophobicContact CD1-CG1 4.47Å; F323-V423 HydrophobicContact CD2-CG1 4.03Å; F323-V423 HydrophobicContact CD2-CG2 4.49Å; F323-V423 HydrophobicContact CE2-CG2 4.31Å; F323-V423 HydrophobicContact CG-CG1 3.97Å
324W98.9Very high98.3Very high5 Ų529.6 Ų29.62%0.01916%0.161CC..Hα-helixtrans-54.6-45.3176.2-81.1111.5000112.3L7 L282 P284 F320 L321 T326 L327 F328 P338 V339 I361L7-W324 HydrophobicContact CD1-CB 4.38Å; L282-W324 WeakPolarHBondContact O-CH2 3.26Å; P284-W324 HydrophobicContact CB-CZ3 4.46Å; P284-W324 HydrophobicContact CG-CZ3 4.29Å; F320-W324 PolarHBondContact O-N 3.04Å; L321-W324 PolarHBondContact O-N 3.19Å; W324-T326 VanDerWaalsContact C-N 3.33Å; W324-T326 PolarHBondContact O-N 3.24Å; W324-L327 WeakPolarHBondContact O-CB 3.43Å; W324-L327 PolarHBondContact O-N 2.83Å; W324-L327 VanDerWaalsContact O-N 3.16Å; W324-F328 HydrophobicContact CE3-CE2 4.4Å; W324-F328 WeakPolarHBondContact O-CD2 3.33Å; W324-F328 PolarHBondContact O-N 3.48Å; W324-P338 HydrophobicContact CE3-CB 4.2Å; W324-P338 HydrophobicContact CZ3-CB 3.85Å; W324-V339 HydrophobicContact CH2-CG2 3.74Å; W324-V339 HydrophobicContact CZ3-CG2 4.02Å; W324-I361 HydrophobicContact CE3-CG2 4.4Å; W324-I361 HydrophobicContact CH2-CD1 4.38Å; W324-I361 HydrophobicContact CH2-CG2 3.6Å; W324-I361 HydrophobicContact CZ2-CD1 4.07Å; W324-I361 HydrophobicContact CZ2-CG2 3.8Å; W324-I361 HydrophobicContact CZ3-CG2 3.93Å
325Y98.9Very high98.1Very high9 Ų932.1 Ų32.14%0.03519%0.187CC..Hα-helixtrans-64.8-38.4-179.9-162.2-123.1000111.9M1 L4 L7 R209 L321 F323 F328 H329 Y458 D460 G462M1-Y325 HydrophobicContact CE-CD1 4.29Å; M1-Y325 HydrophobicContact CE-CD2 3.4Å; M1-Y325 VanDerWaalsContact CE-CD2 3.4Å; M1-Y325 HydrophobicContact CE-CE1 4.11Å; M1-Y325 HydrophobicContact CE-CE2 3.19Å; M1-Y325 HydrophobicContact CE-CG 3.95Å; M1-Y325 VanDerWaalsContact CE-O 3.29Å; M1-Y325 WeakPolarHBondContact CE-O 3.41Å; L4-Y325 HydrophobicContact CB-CD2 4.33Å; L4-Y325 HydrophobicContact CB-CE2 4.05Å; L4-Y325 HydrophobicContact CD1-CD1 4.46Å; L4-Y325 HydrophobicContact CD1-CD2 3.51Å; L4-Y325 HydrophobicContact CD1-CE2 4.1Å; L4-Y325 HydrophobicContact CD1-CG 3.73Å; L4-Y325 HydrophobicContact CG-CD2 4.5Å; L7-Y325 HydrophobicContact CD1-CD2 3.83Å; R209-Y325 PolarHBondContact NH2-OH 3.14Å; L321-Y325 WeakPolarHBondContact O-CB 3.47Å; L321-Y325 PolarHBondContact O-N 2.89Å; F323-Y325 VanDerWaalsContact C-N 3.29Å; F323-Y325 PolarHBondContact O-N 3.11Å; Y325-F328 PolarHBondContact O-N 3.15Å; Y325-H329 PolarHBondContact O-N 2.77Å; Y325-Y458 AromaticContact CD1-CD1 3.85Å; Y325-Y458 HydrophobicContact CD1-CD1 3.85Å; Y325-Y458 HydrophobicContact CD1-CE1 4.39Å; Y325-Y458 AromaticContact CE1-CD1 3.64Å; Y325-Y458 HydrophobicContact CE1-CD1 3.64Å; Y325-Y458 AromaticContact CE1-CE1 3.73Å; Y325-Y458 HydrophobicContact CE1-CE1 3.73Å; Y325-D460 WeakPolarHBondContact CE1-OD1 3.49Å; Y325-D460 PolarHBondContact OH-OD1 3.17Å; Y325-D460 PolarHBondContact OH-OD2 2.99Å; Y325-D460 VanDerWaalsContact OH-OD2 3.04Å; Y325-G462 WeakPolarHBondContact OH-CA 3.45Å
326T98.9Very high98Very high3 Ų332.9 Ų32.92%0.01819%0.191CC..Hα-helixtrans-64.4-39.6172.3-55.20000112P322 F323 W324 F328 H329 F330 E456 Y458P322-T326 WeakPolarHBondContact O-CB 3.34Å; P322-T326 PolarHBondContact O-N 3.4Å; P322-T326 VanDerWaalsContact O-N 3.11Å; P322-T326 PolarHBondContact O-OG1 3.22Å; F323-T326 WeakPolarHBondContact O-CB 3.49Å; F323-T326 PolarHBondContact O-N 3.17Å; F323-T326 VanDerWaalsContact O-N 3.12Å; W324-T326 VanDerWaalsContact C-N 3.33Å; W324-T326 PolarHBondContact O-N 3.24Å; T326-F328 VanDerWaalsContact C-N 3.32Å; T326-F328 PolarHBondContact O-N 3.18Å; T326-H329 VanDerWaalsContact O-CB 3.3Å; T326-H329 WeakPolarHBondContact O-CB 3.43Å; T326-H329 PolarHBondContact O-N 2.96Å; T326-H329 VanDerWaalsContact O-N 3.13Å; T326-F330 HydrophobicContact CG2-CE1 4.4Å; T326-F330 HydrophobicContact CG2-CE2 4Å; T326-F330 HydrophobicContact CG2-CZ 3.85Å; T326-F330 PolarHBondContact O-N 3.22Å; T326-F330 VanDerWaalsContact O-N 3.11Å; T326-E456 HydrophobicContact CG2-CB 4.39Å; T326-Y458 PolarHBondContact OG1-N 3.31Å
327L98.9Very high97.8Very high5 Ų529.3 Ų29.33%0.02618%0.176CC..Hα-helixtrans-65-36.6175.3-63.5-178.8000112.6F323 W324 H329 F330 A331 P338 I361F323-L327 HydrophobicContact CD1-CD1 4.11Å; F323-L327 HydrophobicContact CE1-CD1 3.65Å; F323-L327 HydrophobicContact CE1-CG 4.37Å; F323-L327 HydrophobicContact CE2-CD1 4.35Å; F323-L327 HydrophobicContact CE2-CD2 4.07Å; F323-L327 HydrophobicContact CE2-CG 4.24Å; F323-L327 HydrophobicContact CZ-CD1 3.78Å; F323-L327 HydrophobicContact CZ-CD2 4.09Å; F323-L327 HydrophobicContact CZ-CG 4.15Å; F323-L327 WeakPolarHBondContact O-CG 3.49Å; F323-L327 PolarHBondContact O-N 2.82Å; W324-L327 WeakPolarHBondContact O-CB 3.43Å; W324-L327 PolarHBondContact O-N 2.83Å; W324-L327 VanDerWaalsContact O-N 3.16Å; L327-H329 VanDerWaalsContact C-N 3.3Å; L327-F330 HydrophobicContact CD2-CD2 4.09Å; L327-F330 HydrophobicContact CD2-CE2 4.43Å; L327-F330 WeakPolarHBondContact O-CB 3.38Å; L327-F330 PolarHBondContact O-N 3.47Å; L327-A331 PolarHBondContact O-N 3.31Å; L327-P338 HydrophobicContact CB-CB 3.88Å; L327-P338 HydrophobicContact CB-CG 4.28Å; L327-P338 HydrophobicContact CD1-CB 4.22Å; L327-I361 HydrophobicContact CD1-CG2 3.65Å
328F98.8Very high97.8Very high8 Ų829.1 Ų29.14%0.03518%0.175CC..Hα-helixtrans-69.8-27.5173.4-89-76.9000113.1M1 P2 L7 F256 P284 W324 Y325 T326 H332 P338M1-F328 HydrophobicContact CE-CB 3.78Å; M1-F328 VanDerWaalsContact SD-C 3.55Å; M1-F328 HydrophobicContact SD-CB 4.21Å; P2-F328 HydrophobicContact CG-CB 3.88Å; P2-F328 HydrophobicContact CG-CD1 3.6Å; P2-F328 HydrophobicContact CG-CD2 4.31Å; P2-F328 HydrophobicContact CG-CE1 4.16Å; P2-F328 HydrophobicContact CG-CG 3.66Å; L7-F328 HydrophobicContact CD1-CD2 3.63Å; L7-F328 HydrophobicContact CD1-CE2 4.12Å; L7-F328 HydrophobicContact CD1-CG 4.35Å; L7-F328 HydrophobicContact CD2-CD2 3.65Å; L7-F328 HydrophobicContact CD2-CE2 3.34Å; L7-F328 HydrophobicContact CD2-CG 4.39Å; L7-F328 HydrophobicContact CD2-CZ 3.83Å; L7-F328 HydrophobicContact CG-CD2 4.32Å; L7-F328 HydrophobicContact CG-CE2 4.39Å; F256-F328 HydrophobicContact CB-CE1 3.77Å; F256-F328 HydrophobicContact CB-CZ 4.12Å; F256-F328 HydrophobicContact CD1-CE1 4.04Å; F256-F328 AromaticContact CD1-CZ 3.59Å; F256-F328 HydrophobicContact CD1-CZ 3.59Å; F256-F328 HydrophobicContact CD2-CE1 4.49Å; F256-F328 HydrophobicContact CE1-CZ 4.17Å; F256-F328 AromaticContact CG-CE1 3.86Å; F256-F328 HydrophobicContact CG-CE1 3.86Å; F256-F328 AromaticContact CG-CZ 3.91Å; F256-F328 HydrophobicContact CG-CZ 3.91Å; P284-F328 HydrophobicContact CB-CE2 4.26Å; P284-F328 HydrophobicContact CB-CZ 3.83Å; W324-F328 HydrophobicContact CE3-CE2 4.4Å; W324-F328 WeakPolarHBondContact O-CD2 3.33Å; W324-F328 PolarHBondContact O-N 3.48Å; Y325-F328 PolarHBondContact O-N 3.15Å; T326-F328 VanDerWaalsContact C-N 3.32Å; T326-F328 PolarHBondContact O-N 3.18Å; F328-H332 VanDerWaalsContact O-CB 3.26Å; F328-H332 WeakPolarHBondContact O-CB 3.48Å; F328-H332 PolarHBondContact O-N 3.16Å; F328-P338 HydrophobicContact CD1-CG 4.29Å; F328-P338 HydrophobicContact CD2-CG 4.18Å; F328-P338 HydrophobicContact CE1-CG 4.2Å; F328-P338 HydrophobicContact CE2-CG 4.08Å; F328-P338 HydrophobicContact CG-CG 4.3Å; F328-P338 HydrophobicContact CZ-CG 4.13Å
329H98.5Very high97.7Very high20 Ų2029.1 Ų29.19%0.09318%0.175CC..Hα-helixtrans-62.4-45.7167.7171.576000110.6M1 Y325 T326 L327 H332 T333 Y458M1-H329 HydrophobicContact CE-CB 4.37Å; M1-H329 HydrophobicContact SD-CB 4.28Å; Y325-H329 PolarHBondContact O-N 2.77Å; T326-H329 VanDerWaalsContact O-CB 3.3Å; T326-H329 WeakPolarHBondContact O-CB 3.43Å; T326-H329 PolarHBondContact O-N 2.96Å; T326-H329 VanDerWaalsContact O-N 3.13Å; L327-H329 VanDerWaalsContact C-N 3.3Å; H329-H332 WeakPolarHBondContact O-CB 3.37Å; H329-H332 PolarHBondContact O-N 2.76Å; H329-H332 VanDerWaalsContact O-N 3.13Å; H329-T333 PolarHBondContact O-N 3Å; H329-T333 PolarHBondContact O-OG1 2.89Å; H329-Y458 HydrophobicContact CB-CD1 3.94Å; H329-Y458 HydrophobicContact CB-CD2 4.04Å; H329-Y458 HydrophobicContact CB-CE1 4.48Å; H329-Y458 HydrophobicContact CB-CG 3.68Å; H329-Y458 AromaticContact CD2-CD2 3.95Å; H329-Y458 AromaticContact CE1-CD2 3.64Å; H329-Y458 AromaticContact CE1-CE2 3.62Å; H329-Y458 AromaticContact CG-CD2 3.5Å; H329-Y458 VanDerWaalsContact CG-CD2 3.5Å; H329-Y458 AromaticContact CG-CE2 3.95Å; H329-Y458 AromaticContact CG-CG 3.68Å; H329-Y458 AromaticContact ND1-CD2 3.3Å; H329-Y458 VanDerWaalsContact ND1-CD2 3.3Å; H329-Y458 WeakPolarHBondContact ND1-CD2 3.5Å; H329-Y458 AromaticContact ND1-CE2 3.27Å; H329-Y458 VanDerWaalsContact ND1-CE2 3.27Å; H329-Y458 WeakPolarHBondContact ND1-CE2 3.21Å; H329-Y458 AromaticContact ND1-CG 3.87Å; H329-Y458 AromaticContact ND1-CZ 3.83Å
330F98.1Very high97.7Very high50 Ų5028.5 Ų28.522%0.21917%0.167CC..Hα-helixtrans-63.5-43.4174.9-58.7-30.9000112.9T326 L327 H332 T333 S334 G335 E456T326-F330 HydrophobicContact CG2-CE1 4.4Å; T326-F330 HydrophobicContact CG2-CE2 4Å; T326-F330 HydrophobicContact CG2-CZ 3.85Å; T326-F330 PolarHBondContact O-N 3.22Å; T326-F330 VanDerWaalsContact O-N 3.11Å; L327-F330 HydrophobicContact CD2-CD2 4.09Å; L327-F330 HydrophobicContact CD2-CE2 4.43Å; L327-F330 WeakPolarHBondContact O-CB 3.38Å; L327-F330 PolarHBondContact O-N 3.47Å; F330-H332 PolarHBondContact O-N 2.94Å; F330-T333 PolarHBondContact O-N 3.43Å; F330-S334 PolarHBondContact O-N 3.44Å; F330-S334 PolarHBondContact O-OG 3.27Å; F330-G335 PolarHBondContact O-N 3.48Å; F330-E456 WeakPolarHBondContact CE1-OE2 3.47Å; F330-E456 HydrophobicContact CZ-CB 4.03Å; F330-E456 HydrophobicContact CZ-CG 4.38Å; F330-E456 WeakPolarHBondContact CZ-OE2 3.47Å
331A98.1Very high97.7Very high22 Ų2227.9 Ų27.918%0.18217%0.165CC..Hα-helixtrans-57.8-37.1173.800000111.4A255 L327 G335 M336 P338A255-A331 HydrophobicContact CB-CB 4.21Å; L327-A331 PolarHBondContact O-N 3.31Å; A331-G335 WeakPolarHBondContact O-CA 3.03Å; A331-G335 PolarHBondContact O-N 3.3Å; A331-M336 WeakPolarHBondContact CA-O 3.2Å; A331-M336 WeakPolarHBondContact CB-O 3.47Å; A331-M336 PolarHBondContact N-O 3.24Å; A331-P338 HydrophobicContact CB-CG 4.35Å
332H97.6Very high97.7Very high86 Ų8627.7 Ų27.740%0.39816%0.164SC..Hα-helixtrans-72.9-37.2178.8179.146.3000113.9M1 F328 H329 F330 Y467M1-H332 PolarHBondContact N-ND1 3.46Å; M1-H332 HydrophobicContact SD-CB 4.21Å; F328-H332 VanDerWaalsContact O-CB 3.26Å; F328-H332 WeakPolarHBondContact O-CB 3.48Å; F328-H332 PolarHBondContact O-N 3.16Å; H329-H332 WeakPolarHBondContact O-CB 3.37Å; H329-H332 PolarHBondContact O-N 2.76Å; H329-H332 VanDerWaalsContact O-N 3.13Å; F330-H332 PolarHBondContact O-N 2.94Å; H332-Y467 AromaticContact CD2-CE2 3.88Å; H332-Y467 PolarHBondContact CE1-OH 3.28Å; H332-Y467 AromaticContact NE2-CE2 3.46Å; H332-Y467 WeakPolarHBondContact NE2-CE2 3.48Å; H332-Y467 AromaticContact NE2-CZ 3.61Å; H332-Y467 PolarHBondContact NE2-OH 2.99Å
333T96.7Very high97.6Very high85 Ų8531.7 Ų31.752%0.52118%0.177SC..Hα-helixtrans-99.3-28.7-171.9560000114.5H329 F330H329-T333 PolarHBondContact O-N 3Å; H329-T333 PolarHBondContact O-OG1 2.89Å; F330-T333 PolarHBondContact O-N 3.43Å
334S95.9Very high97.5Very high84 Ų8433 Ų3359%0.58719%0.187SC*.Hα-helixtrans-125.3-4.9-177.967.80000114.2F330 M336F330-S334 PolarHBondContact O-N 3.44Å; F330-S334 PolarHBondContact O-OG 3.27Å; S334-M336 PolarHBondContact O-N 3.48Å; S334-M336 WeakPolarHBondContact OG-CB 3.46Å
335G95.2Very high97.4Very high53 Ų5334.7 Ų34.755%0.54620%0.195SC..  trans74.46.1-176.300000113.9F330 A331 P337F330-G335 PolarHBondContact O-N 3.48Å; A331-G335 WeakPolarHBondContact O-CA 3.03Å; A331-G335 PolarHBondContact O-N 3.3Å; G335-P337 WeakPolarHBondContact O-CD 3.46Å
336M94.7Very high97.3Very high77 Ų7735 Ų3538%0.37920%0.197SC..  trans-75.2118.2-179.2-172.765.269.100110.8A331 S334A331-M336 WeakPolarHBondContact CA-O 3.2Å; A331-M336 WeakPolarHBondContact CB-O 3.47Å; A331-M336 PolarHBondContact N-O 3.24Å; S334-M336 PolarHBondContact O-N 3.48Å; S334-M336 WeakPolarHBondContact OG-CB 3.46Å
337P94.6Very high97.2Very high16 Ų1639 Ų3910%0.10422%0.222CC..  trans-71.4150.6-171.723.9-29.7000113N250 G335 R340N250-P337 HydrophobicContact CB-CB 3.73Å; N250-P337 HydrophobicContact CB-CG 4.33Å; N250-P337 WeakPolarHBondContact OD1-CB 3.45Å; G335-P337 WeakPolarHBondContact O-CD 3.46Å; P337-R340 HydrophobicContact CG-CG 4.19Å; P337-R340 PolarHBondContact O-NE 3.42Å; P337-R340 PolarHBondContact O-NH2 3.27Å
338P97.7Very high97.1Very high0 Ų047.9 Ų47.90%026%0.264CS..SBendtrans-66-34176.1-23.635.3000113.8A255 W324 L327 F328 A331 I361 G362A255-P338 HydrophobicContact CB-CG 4.45Å; W324-P338 HydrophobicContact CE3-CB 4.2Å; W324-P338 HydrophobicContact CZ3-CB 3.85Å; L327-P338 HydrophobicContact CB-CB 3.88Å; L327-P338 HydrophobicContact CB-CG 4.28Å; L327-P338 HydrophobicContact CD1-CB 4.22Å; F328-P338 HydrophobicContact CD1-CG 4.29Å; F328-P338 HydrophobicContact CD2-CG 4.18Å; F328-P338 HydrophobicContact CE1-CG 4.2Å; F328-P338 HydrophobicContact CE2-CG 4.08Å; F328-P338 HydrophobicContact CG-CG 4.3Å; F328-P338 HydrophobicContact CZ-CG 4.13Å; A331-P338 HydrophobicContact CB-CG 4.35Å; P338-I361 CarbonylContact O-C 3.49Å; P338-I361 WeakPolarHBondContact O-CA 3.36Å; P338-G362 PolarHBondContact O-N 3.12Å
339V98.3Very high97Very high0 Ų049.1 Ų49.10%027%0.27CS..EExtended strand (participates in β ladder)trans-116.7133.8177.5169.80000109.2L247 N250 P284 W324 Y359 M360 I361L247-V339 HydrophobicContact CD2-CG1 3.63Å; N250-V339 VanDerWaalsContact CB-O 3.23Å; N250-V339 WeakPolarHBondContact CB-O 3.2Å; N250-V339 PolarHBondContact OD1-N 2.91Å; N250-V339 PolarHBondContact OD1-O 2.8Å; P284-V339 HydrophobicContact CG-CB 4.36Å; P284-V339 HydrophobicContact CG-CG2 3.94Å; W324-V339 HydrophobicContact CH2-CG2 3.74Å; W324-V339 HydrophobicContact CZ3-CG2 4.02Å; V339-Y359 HydrophobicContact CG1-CD2 3.5Å; V339-Y359 VanDerWaalsContact CG1-CD2 3.5Å; V339-Y359 HydrophobicContact CG1-CE2 4.01Å; V339-Y359 HydrophobicContact CG1-CG 3.98Å; V339-Y359 HydrophobicContact CG2-CD2 4.44Å; V339-Y359 HydrophobicContact CG2-CE2 4.37Å; V339-M360 CarbonylContact C-O 3.58Å; V339-M360 WeakPolarHBondContact CA-O 3.43Å; V339-I361 HydrophobicContact CG2-CG1 4.43Å
340R97.9Very high96.9Very high21 Ų2155.7 Ų55.78%0.07930%0.3CS..EExtended strand (participates in β ladder)trans-135.7134.5-169.7-55.2172.5-165171.67.8110.5P337 V344 E345 Y359 M360P337-R340 HydrophobicContact CG-CG 4.19Å; P337-R340 PolarHBondContact O-NE 3.42Å; P337-R340 PolarHBondContact O-NH2 3.27Å; R340-V344 HydrophobicContact CB-CB 4.14Å; R340-V344 HydrophobicContact CB-CG1 4.28Å; R340-V344 HydrophobicContact CG-CG1 4.39Å; R340-E345 WeakPolarHBondContact CD-OE1 3.27Å; R340-E345 IonicContact CZ-OE1 2.71Å; R340-E345 IonicContact NE-OE1 3.77Å; R340-E345 IonicContact NH1-OE1 2.95Å; R340-E345 PolarHBondContact NH1-OE1 3.17Å; R340-Y359 WeakPolarHBondContact O-CB 3.38Å; R340-M360 HydrophobicContact CB-CB 4.23Å; R340-M360 PolarHBondContact N-O 2.93Å; R340-M360 PolarHBondContact O-N 3.49Å
341P98.2Very high96.6Very high5 Ų556.2 Ų56.23%0.03231%0.31CS..  trans-55151.3162.9-21.129.8000110.6L247 L251 W343 V344L247-P341 HydrophobicContact CB-CG 4.19Å; L247-P341 HydrophobicContact CD2-CG 4.06Å; L251-P341 HydrophobicContact CD1-CG 3.84Å; L251-P341 HydrophobicContact CD2-CG 3.94Å; L251-P341 HydrophobicContact CG-CG 3.9Å; P341-W343 HydrophobicContact CB-CD2 4.5Å; P341-W343 HydrophobicContact CB-CG 4.23Å; P341-W343 VanDerWaalsContact CB-NE1 3.32Å; P341-W343 HydrophobicContact CG-CZ2 4.5Å; P341-W343 PolarHBondContact O-N 3.03Å; P341-V344 HydrophobicContact CB-CG2 4.43Å; P341-V344 HydrophobicContact CG-CG2 4.34Å; P341-V344 WeakPolarHBondContact O-CB 3.39Å; P341-V344 PolarHBondContact O-N 2.7Å; P341-V344 VanDerWaalsContact O-N 3.08Å
342L98.2Very high96.5Very high0 Ų055.2 Ų55.20%030%0.302CS..Hα-helixtrans-57.5-39.2-177.2-63.9-164.2000112.6V344 E345 F346 A352 E355 Q358 M360 L366 L381 P383L342-V344 PolarHBondContact O-N 3.36Å; L342-V344 VanDerWaalsContact O-N 3.12Å; L342-E345 PolarHBondContact O-N 2.87Å; L342-F346 WeakPolarHBondContact O-CD2 3.26Å; L342-F346 PolarHBondContact O-N 3.37Å; L342-A352 HydrophobicContact CB-CB 3.78Å; L342-E355 HydrophobicContact CD1-CB 4.36Å; L342-Q358 HydrophobicContact CD1-CG 4.07Å; L342-M360 HydrophobicContact CD2-CG 3.69Å; L342-M360 HydrophobicContact CD2-SD 4.14Å; L342-L366 HydrophobicContact CD1-CD1 4.46Å; L342-L366 HydrophobicContact CD2-CD1 3.99Å; L342-L366 HydrophobicContact CD2-CG 4.37Å; L342-L381 HydrophobicContact CD1-CD2 4.5Å; L342-P383 HydrophobicContact CD1-CG 4.26Å
343W97.1Very high96.5Very high99 Ų9956 Ų5638%0.37530%0.304SS..Hα-helixtrans-62.8-19.1-178.967.1-104.6000114.2L251 P341 E345 F346 P347 A352 F353L251-W343 HydrophobicContact CD1-CH2 4.45Å; L251-W343 HydrophobicContact CD1-CZ2 3.65Å; L251-W343 HydrophobicContact CD2-CH2 3.75Å; L251-W343 HydrophobicContact CD2-CZ2 3.6Å; L251-W343 HydrophobicContact CG-CZ2 4.27Å; P341-W343 HydrophobicContact CB-CD2 4.5Å; P341-W343 HydrophobicContact CB-CG 4.23Å; P341-W343 VanDerWaalsContact CB-NE1 3.32Å; P341-W343 HydrophobicContact CG-CZ2 4.5Å; P341-W343 PolarHBondContact O-N 3.03Å; W343-E345 VanDerWaalsContact C-N 3.32Å; W343-F346 CarbonylContact O-C 3.21Å; W343-P347 WeakPolarHBondContact O-CA 3.33Å; W343-P347 VanDerWaalsContact O-N 3.15Å; W343-A352 HydrophobicContact CB-CB 4.33Å; W343-F353 HydrophobicContact CB-CD1 3.56Å; W343-F353 HydrophobicContact CB-CE1 4.02Å; W343-F353 HydrophobicContact CG-CD1 4.42Å
344V96.6Very high96.4Very high44 Ų4457.5 Ų57.527%0.26731%0.313SS..Hα-helixtrans-67.5-36.8173.1174.80000110.8L251 R340 P341 L342L251-V344 HydrophobicContact CD2-CG2 3.64Å; R340-V344 HydrophobicContact CB-CB 4.14Å; R340-V344 HydrophobicContact CB-CG1 4.28Å; R340-V344 HydrophobicContact CG-CG1 4.39Å; P341-V344 HydrophobicContact CB-CG2 4.43Å; P341-V344 HydrophobicContact CG-CG2 4.34Å; P341-V344 WeakPolarHBondContact O-CB 3.39Å; P341-V344 PolarHBondContact O-N 2.7Å; P341-V344 VanDerWaalsContact O-N 3.08Å; L342-V344 PolarHBondContact O-N 3.36Å; L342-V344 VanDerWaalsContact O-N 3.12Å
345E96.6Very high96.4Very high41 Ų4156 Ų5619%0.19230%0.297CS..Hα-helixtrans-90.5-22.2177.7-62.9-59.9137.200112.8R340 L342 W343 M360 R418R340-E345 WeakPolarHBondContact CD-OE1 3.27Å; R340-E345 IonicContact CZ-OE1 2.71Å; R340-E345 IonicContact NE-OE1 3.77Å; R340-E345 IonicContact NH1-OE1 2.95Å; R340-E345 PolarHBondContact NH1-OE1 3.17Å; L342-E345 PolarHBondContact O-N 2.87Å; W343-E345 VanDerWaalsContact C-N 3.32Å; E345-M360 HydrophobicContact CB-CG 4.33Å; E345-M360 HydrophobicContact CG-CB 4.12Å; E345-M360 HydrophobicContact CG-CE 4.47Å; E345-M360 HydrophobicContact CG-CG 3.79Å; E345-R418 IonicContact OE2-NH1 3.82Å
346F97.3Very high96.4Very high17 Ų1757.1 Ų57.18%0.07529%0.29CS..  trans-131.465.1-176.4-58.7-82.5000110.9L342 W343 E348 E349 P383 E387 W389 R418L342-F346 WeakPolarHBondContact O-CD2 3.26Å; L342-F346 PolarHBondContact O-N 3.37Å; W343-F346 CarbonylContact O-C 3.21Å; F346-E348 PolarHBondContact O-N 3.06Å; F346-E349 HydrophobicContact CB-CB 4.14Å; F346-E349 PolarHBondContact O-N 2.88Å; F346-P383 HydrophobicContact CB-CB 4.3Å; F346-P383 HydrophobicContact CD1-CB 3.98Å; F346-P383 HydrophobicContact CD1-CG 4.34Å; F346-P383 HydrophobicContact CD2-CB 3.66Å; F346-P383 HydrophobicContact CD2-CG 3.38Å; F346-P383 HydrophobicContact CE1-CB 4.23Å; F346-P383 HydrophobicContact CE1-CG 4.24Å; F346-P383 HydrophobicContact CE2-CB 3.96Å; F346-P383 HydrophobicContact CE2-CG 3.27Å; F346-P383 HydrophobicContact CG-CB 3.69Å; F346-P383 HydrophobicContact CG-CG 3.95Å; F346-P383 HydrophobicContact CZ-CB 4.23Å; F346-P383 HydrophobicContact CZ-CG 3.74Å; F346-E387 HydrophobicContact CE1-CG 3.94Å; F346-E387 HydrophobicContact CZ-CG 4.37Å; F346-W389 HydrophobicContact CE2-CH2 4.35Å; F346-W389 HydrophobicContact CE2-CZ2 4.03Å; F346-W389 HydrophobicContact CZ-CH2 4.3Å; F346-W389 AromaticContact CZ-CZ2 3.71Å; F346-W389 HydrophobicContact CZ-CZ2 3.71Å; F346-R418 VanDerWaalsContact CZ-CZ 3.46Å
347P97Very high96.5Very high86 Ų8655.7 Ų55.756%0.55828%0.284SS*.THydrogen-bonded Turntrans-69.9-16.1-170.928.5-36.9000114.2W343 F353W343-P347 WeakPolarHBondContact O-CA 3.33Å; W343-P347 VanDerWaalsContact O-N 3.15Å; P347-F353 WeakPolarHBondContact O-CE1 3.46Å; P347-F353 VanDerWaalsContact O-CZ 3.3Å; P347-F353 WeakPolarHBondContact O-CZ 3.49Å
348E96.5Very high96.6Very high191 Ų19154.9 Ų54.989%0.89328%0.279SS*.THydrogen-bonded Turntrans-94-8.2178.6-61-178.6177.700112.8F346 E350F346-E348 PolarHBondContact O-N 3.06Å; E348-E350 PolarHBondContact O-N 3.08Å
349E95.9Very high96.7Very high35 Ų3555 Ų5516%0.16428%0.28CS..  trans-95.996.9-177.4-173.1170.9159.800110.7F346 S351 A352 F353 P383 G384F346-E349 HydrophobicContact CB-CB 4.14Å; F346-E349 PolarHBondContact O-N 2.88Å; E349-S351 VanDerWaalsContact CG-OG 3.25Å; E349-S351 WeakPolarHBondContact CG-OG 3.41Å; E349-S351 PolarHBondContact O-N 2.88Å; E349-S351 VanDerWaalsContact O-N 3.13Å; E349-S351 PolarHBondContact OE1-OG 2.93Å; E349-A352 HydrophobicContact CB-CB 4.43Å; E349-A352 VanDerWaalsContact O-CB 3.27Å; E349-A352 WeakPolarHBondContact O-CB 3.46Å; E349-A352 PolarHBondContact O-N 3.28Å; E349-F353 WeakPolarHBondContact O-CD1 3.21Å; E349-P383 WeakPolarHBondContact OE2-CA 3.31Å; E349-P383 VanDerWaalsContact OE2-CB 3.24Å; E349-P383 WeakPolarHBondContact OE2-CB 3.48Å; E349-G384 PolarHBondContact OE2-N 2.73Å
350E95.7Very high96.7Very high158 Ų15855 Ų5574%0.73828%0.28SS*.G310 helixtrans-56.3-32.6-177.3-67-176.4-177.100113.4E348 A352 F353E348-E350 PolarHBondContact O-N 3.08Å; E350-A352 PolarHBondContact O-N 3Å; E350-A352 VanDerWaalsContact O-N 3.13Å; E350-F353 HydrophobicContact CG-CE2 4.2Å; E350-F353 WeakPolarHBondContact O-CB 3.4Å; E350-F353 PolarHBondContact O-N 2.88Å; E350-F353 VanDerWaalsContact O-N 3.11Å
351S93.8Very high96.7Very high61 Ų6154 Ų5443%0.42728%0.276SS..G310 helixtrans-62.8-16.8175.942.50000113.7E349 E355E349-S351 VanDerWaalsContact CG-OG 3.25Å; E349-S351 WeakPolarHBondContact CG-OG 3.41Å; E349-S351 PolarHBondContact O-N 2.88Å; E349-S351 VanDerWaalsContact O-N 3.13Å; E349-S351 PolarHBondContact OE1-OG 2.93Å; S351-E355 WeakPolarHBondContact O-CG 3.46Å
352A95.4Very high96.7Very high0 Ų053.8 Ų53.80%028%0.275CS..G310 helixtrans-86.8-11.9177.200000113.6L342 W343 E349 E350 T354L342-A352 HydrophobicContact CB-CB 3.78Å; W343-A352 HydrophobicContact CB-CB 4.33Å; E349-A352 HydrophobicContact CB-CB 4.43Å; E349-A352 VanDerWaalsContact O-CB 3.27Å; E349-A352 WeakPolarHBondContact O-CB 3.46Å; E349-A352 PolarHBondContact O-N 3.28Å; E350-A352 PolarHBondContact O-N 3Å; E350-A352 VanDerWaalsContact O-N 3.13Å; A352-T354 PolarHBondContact O-N 3.2Å
353F96.2Very high96.7Very high103 Ų10355 Ų5545%0.45229%0.288SS..THydrogen-bonded Turntrans-72.7-31.9-168.7-68.82.2000113.1W343 P347 E349 E350W343-F353 HydrophobicContact CB-CD1 3.56Å; W343-F353 HydrophobicContact CB-CE1 4.02Å; W343-F353 HydrophobicContact CG-CD1 4.42Å; P347-F353 WeakPolarHBondContact O-CE1 3.46Å; P347-F353 VanDerWaalsContact O-CZ 3.3Å; P347-F353 WeakPolarHBondContact O-CZ 3.49Å; E349-F353 WeakPolarHBondContact O-CD1 3.21Å; E350-F353 HydrophobicContact CG-CE2 4.2Å; E350-F353 WeakPolarHBondContact O-CB 3.4Å; E350-F353 PolarHBondContact O-N 2.88Å; E350-F353 VanDerWaalsContact O-N 3.11Å
354T95.3Very high96.8Very high116 Ų11650.7 Ų50.771%0.71227%0.273SS*.THydrogen-bonded Turntrans-103.23.5-178.858.50000113.1A352 D356A352-T354 PolarHBondContact O-N 3.2Å; T354-D356 PolarHBondContact O-N 3.44Å
355E96.5Very high96.9Very high53 Ų5348.8 Ų48.825%0.24826%0.261CS..  trans-80.5114.2-178.4-65.3-7314900109.9L342 S351 N357 Q358 L381L342-E355 HydrophobicContact CD1-CB 4.36Å; S351-E355 WeakPolarHBondContact O-CG 3.46Å; E355-N357 PolarHBondContact OE2-OD1 2.65Å; E355-Q358 HydrophobicContact CB-CG 4.48Å; E355-L381 HydrophobicContact CG-CD2 3.94Å
356D95.3Very high97Very high76 Ų7646.9 Ų46.941%0.40625%0.252SS..  trans-129.8-1-17667.1-4000114.1P244 T354P244-D356 HydrophobicContact CB-CB 4.09Å; T354-D356 PolarHBondContact O-N 3.44Å
357N95.6Very high97Very high47 Ų4746 Ų4625%0.25125%0.248SC..SBendtrans-97.4-3.2174.867.1-13.4000113.3E355E355-N357 PolarHBondContact OE2-OD1 2.65Å
358Q97.6Very high97.1Very high0 Ų042.1 Ų42.10%022%0.223CC..SBendtrans-145.1153.717658173.320.600110L342 E355 A367 C368 L381L342-Q358 HydrophobicContact CD1-CG 4.07Å; E355-Q358 HydrophobicContact CB-CG 4.48Å; Q358-A367 VanDerWaalsContact CA-O 3.26Å; Q358-A367 WeakPolarHBondContact CA-O 3.28Å; Q358-A367 WeakPolarHBondContact CB-O 3.44Å; Q358-C368 HydrophobicContact CB-CB 3.86Å; Q358-L381 VanDerWaalsContact NE2-CB 3.26Å; Q358-L381 PolarHBondContact NE2-O 3.02Å; Q358-L381 VanDerWaalsContact OE1-N 3.08Å; Q358-L381 PolarHBondContact OE1-O 2.79Å
359Y98.7Very high97.2Very high1 Ų133.2 Ų33.20%0.00418%0.182CC..EExtended strand (participates in β ladder)trans-157.8164.3-169.951.7-91000112.1L243 L247 L282 V339 R340 I361 L366 A367 P369L243-Y359 HydrophobicContact CD1-CE1 4.27Å; L243-Y359 HydrophobicContact CD2-CE1 3.93Å; L247-Y359 HydrophobicContact CD2-CG 4.24Å; L282-Y359 VanDerWaalsContact CB-OH 3.28Å; L282-Y359 WeakPolarHBondContact CB-OH 3.46Å; L282-Y359 PolarHBondContact O-OH 2.89Å; V339-Y359 HydrophobicContact CG1-CD2 3.5Å; V339-Y359 VanDerWaalsContact CG1-CD2 3.5Å; V339-Y359 HydrophobicContact CG1-CE2 4.01Å; V339-Y359 HydrophobicContact CG1-CG 3.98Å; V339-Y359 HydrophobicContact CG2-CD2 4.44Å; V339-Y359 HydrophobicContact CG2-CE2 4.37Å; R340-Y359 WeakPolarHBondContact O-CB 3.38Å; Y359-I361 HydrophobicContact CD2-CG1 4.09Å; Y359-I361 HydrophobicContact CE2-CD1 4.23Å; Y359-I361 HydrophobicContact CE2-CG1 3.89Å; Y359-L366 WeakPolarHBondContact O-CA 3.03Å; Y359-A367 HydrophobicContact CD2-CB 4.36Å; Y359-A367 HydrophobicContact CE2-CB 3.96Å; Y359-A367 PolarHBondContact N-O 3.17Å; Y359-A367 PolarHBondContact O-N 2.75Å; Y359-P369 HydrophobicContact CE1-CG 3.99Å
360M98.8Very high97.3Very high0 Ų031.6 Ų31.60%017%0.174CC..EExtended strand (participates in β ladder)trans-89.9140.9172-65.3-64.4-62.900110.5V339 R340 L342 E345 G362 L365 L366 W389V339-M360 CarbonylContact C-O 3.58Å; V339-M360 WeakPolarHBondContact CA-O 3.43Å; R340-M360 HydrophobicContact CB-CB 4.23Å; R340-M360 PolarHBondContact N-O 2.93Å; R340-M360 PolarHBondContact O-N 3.49Å; L342-M360 HydrophobicContact CD2-CG 3.69Å; L342-M360 HydrophobicContact CD2-SD 4.14Å; E345-M360 HydrophobicContact CB-CG 4.33Å; E345-M360 HydrophobicContact CG-CB 4.12Å; E345-M360 HydrophobicContact CG-CE 4.47Å; E345-M360 HydrophobicContact CG-CG 3.79Å; M360-G362 WeakPolarHBondContact CB-O 3.38Å; M360-L365 CarbonylContact C-O 3.57Å; M360-L365 VanDerWaalsContact CA-O 3.25Å; M360-L365 WeakPolarHBondContact CA-O 3.2Å; M360-L365 WeakPolarHBondContact CE-O 3.48Å; M360-L366 HydrophobicContact SD-CB 3.71Å; M360-L366 HydrophobicContact SD-CD1 4.26Å; M360-L366 HydrophobicContact SD-CG 4.24Å; M360-W389 HydrophobicContact CE-CH2 3.71Å; M360-W389 HydrophobicContact CE-CZ3 4.13Å; M360-W389 HydrophobicContact SD-CH2 3.55Å; M360-W389 VanDerWaalsContact SD-CH2 3.55Å; M360-W389 HydrophobicContact SD-CZ3 4.1Å
361I98.8Very high97.4Very high2 Ų224.7 Ų24.71%0.0114%0.143CC..EExtended strand (participates in β ladder)trans-107.7107.8165.7-49.2174.6000106.3L282 F323 W324 L327 P338 V339 Y359 L365 A367L282-I361 HydrophobicContact CB-CD1 4.17Å; L282-I361 HydrophobicContact CD2-CD1 3.85Å; F323-I361 HydrophobicContact CD1-CG2 4.46Å; F323-I361 HydrophobicContact CE1-CB 4.31Å; F323-I361 HydrophobicContact CE1-CG2 3.8Å; F323-I361 WeakPolarHBondContact CZ-O 3.43Å; W324-I361 HydrophobicContact CE3-CG2 4.4Å; W324-I361 HydrophobicContact CH2-CD1 4.38Å; W324-I361 HydrophobicContact CH2-CG2 3.6Å; W324-I361 HydrophobicContact CZ2-CD1 4.07Å; W324-I361 HydrophobicContact CZ2-CG2 3.8Å; W324-I361 HydrophobicContact CZ3-CG2 3.93Å; L327-I361 HydrophobicContact CD1-CG2 3.65Å; P338-I361 CarbonylContact O-C 3.49Å; P338-I361 WeakPolarHBondContact O-CA 3.36Å; V339-I361 HydrophobicContact CG2-CG1 4.43Å; Y359-I361 HydrophobicContact CD2-CG1 4.09Å; Y359-I361 HydrophobicContact CE2-CD1 4.23Å; Y359-I361 HydrophobicContact CE2-CG1 3.89Å; I361-L365 HydrophobicContact CB-CB 4.23Å; I361-L365 PolarHBondContact N-O 2.86Å; I361-L365 PolarHBondContact O-N 2.74Å; I361-A367 HydrophobicContact CD1-CB 4.11Å; I361-A367 HydrophobicContact CG1-CB 4.47Å
362G98.1Very high97.6Very high0 Ų027.2 Ų27.20%015%0.148CC..THydrogen-bonded Turntrans59.9-148.7-161.800000111.4P338 M360P338-G362 PolarHBondContact O-N 3.12Å; M360-G362 WeakPolarHBondContact CB-O 3.38Å
363G97.4Very high97.7Very high26 Ų2633 Ų3327%0.26818%0.175SC..THydrogen-bonded Turntrans-953.4168.300000113.6R418G363-R418 WeakPolarHBondContact O-CD 3.2Å
364A98.7Very high97.8Very high8 Ų830.4 Ų30.47%0.06618%0.177CC..THydrogen-bonded Turntrans-110-31-163.900000114.6F323 Q417 R418 V423F323-A364 HydrophobicContact CE2-CB 4.04Å; F323-A364 HydrophobicContact CZ-CB 3.87Å; A364-Q417 CarbonylContact O-C 3.49Å; A364-Q417 WeakPolarHBondContact O-CA 3.42Å; A364-R418 PolarHBondContact O-N 2.92Å; A364-V423 HydrophobicContact CB-CG2 3.7Å
365L98.9Very high97.9Very high4 Ų425.7 Ų25.72%0.02115%0.15CC..EExtended strand (participates in β ladder)trans-120.1137.5-178.6-56.1178.8000110.7F320 F323 M360 I361 I392 V415 F416 Q417 V423F320-L365 HydrophobicContact CD1-CD1 4.09Å; F320-L365 HydrophobicContact CE1-CD1 3.63Å; F320-L365 HydrophobicContact CZ-CD1 4.21Å; F323-L365 HydrophobicContact CD1-CD1 3.96Å; F323-L365 HydrophobicContact CE1-CD1 3.64Å; F323-L365 HydrophobicContact CE1-CG 3.94Å; F323-L365 HydrophobicContact CZ-CD1 4.47Å; F323-L365 HydrophobicContact CZ-CG 4.32Å; M360-L365 CarbonylContact C-O 3.57Å; M360-L365 VanDerWaalsContact CA-O 3.25Å; M360-L365 WeakPolarHBondContact CA-O 3.2Å; M360-L365 WeakPolarHBondContact CE-O 3.48Å; I361-L365 HydrophobicContact CB-CB 4.23Å; I361-L365 PolarHBondContact N-O 2.86Å; I361-L365 PolarHBondContact O-N 2.74Å; L365-I392 HydrophobicContact CD2-CG2 4.3Å; L365-V415 HydrophobicContact CB-CG1 4.42Å; L365-F416 CarbonylContact C-O 3.57Å; L365-F416 VanDerWaalsContact CA-O 3.22Å; L365-F416 WeakPolarHBondContact CA-O 3.35Å; L365-Q417 HydrophobicContact CD2-CB 3.88Å; L365-Q417 HydrophobicContact CD2-CG 4.19Å; L365-V423 HydrophobicContact CD2-CG2 4.18Å
366L98.9Very high97.9Very high0 Ų030.6 Ų30.60%017%0.173CC..EExtended strand (participates in β ladder)trans-105.1130.6166.1-178.3153.4000108.4L342 Y359 M360 V380 L382 P383 W389 V415 F416L342-L366 HydrophobicContact CD1-CD1 4.46Å; L342-L366 HydrophobicContact CD2-CD1 3.99Å; L342-L366 HydrophobicContact CD2-CG 4.37Å; Y359-L366 WeakPolarHBondContact O-CA 3.03Å; M360-L366 HydrophobicContact SD-CB 3.71Å; M360-L366 HydrophobicContact SD-CD1 4.26Å; M360-L366 HydrophobicContact SD-CG 4.24Å; L366-V380 HydrophobicContact CD2-CG1 3.77Å; L366-L382 HydrophobicContact CD1-CD2 4.34Å; L366-L382 HydrophobicContact CD2-CD2 4.39Å; L366-P383 HydrophobicContact CD1-CG 4.33Å; L366-W389 HydrophobicContact CB-CE3 4.05Å; L366-W389 HydrophobicContact CB-CH2 3.93Å; L366-W389 HydrophobicContact CB-CZ3 3.44Å; L366-W389 VanDerWaalsContact CB-CZ3 3.44Å; L366-W389 HydrophobicContact CD1-CH2 4.1Å; L366-W389 HydrophobicContact CD1-CZ2 4.34Å; L366-W389 HydrophobicContact CD1-CZ3 4.29Å; L366-V415 CarbonylContact O-C 3.5Å; L366-V415 VanDerWaalsContact O-CA 3.25Å; L366-V415 WeakPolarHBondContact O-CA 3.29Å; L366-F416 HydrophobicContact CB-CB 4.42Å; L366-F416 HydrophobicContact CD2-CD2 4.06Å; L366-F416 PolarHBondContact N-O 3.2Å; L366-F416 PolarHBondContact O-N 3.1Å
367A98.6Very high98Very high0 Ų030.9 Ų30.90%018%0.177CC..EExtended strand (participates in β ladder)trans-120.2137.9177.900000110.8L282 Q358 Y359 I361 V415L282-A367 HydrophobicContact CD1-CB 4.06Å; Q358-A367 VanDerWaalsContact CA-O 3.26Å; Q358-A367 WeakPolarHBondContact CA-O 3.28Å; Q358-A367 WeakPolarHBondContact CB-O 3.44Å; Y359-A367 HydrophobicContact CD2-CB 4.36Å; Y359-A367 HydrophobicContact CE2-CB 3.96Å; Y359-A367 PolarHBondContact N-O 3.17Å; Y359-A367 PolarHBondContact O-N 2.75Å; I361-A367 HydrophobicContact CD1-CB 4.11Å; I361-A367 HydrophobicContact CG1-CB 4.47Å; A367-V415 HydrophobicContact CB-CG2 4.37Å
368C98.4Very high98.1Very high4 Ų429.6 Ų29.63%0.02717%0.171CC..  trans-132.482.8172.5-179.10000109.4Q358 V380 P414Q358-C368 HydrophobicContact CB-CB 3.86Å; C368-V380 HydrophobicContact CB-CG1 4.21Å; C368-V380 HydrophobicContact CB-CG2 3.89Å; C368-P414 HydrophobicContact CB-CB 4.38Å; C368-P414 PolarHBondContact N-O 2.84Å; C368-P414 WeakPolarHBondContact O-CD 3.21Å
369P98.1Very high98.1Very high3 Ų336.6 Ų36.62%0.01920%0.202CC..  trans-57.9145.8176.9-22.233.6000112.6L243 A279 L282 Y359 T371L243-P369 HydrophobicContact CD1-CG 4.38Å; A279-P369 HydrophobicContact CB-CB 3.87Å; A279-P369 HydrophobicContact CB-CG 4.26Å; L282-P369 HydrophobicContact CD1-CG 4.21Å; Y359-P369 HydrophobicContact CE1-CG 3.99Å; P369-T371 HydrophobicContact CB-CG2 4.4Å; P369-T371 PolarHBondContact O-N 2.83Å
370V98.6Very high98Very high1 Ų136.6 Ų36.61%0.00620%0.201CC..  trans-78.4117.6174.5-1760000108.9A375 V378 V408V370-A375 HydrophobicContact CG1-CB 3.69Å; V370-V378 HydrophobicContact CB-CG1 4.48Å; V370-V378 HydrophobicContact CG1-CG1 4.23Å; V370-V378 HydrophobicContact CG2-CG1 3.97Å; V370-V408 HydrophobicContact CG2-CB 4.11Å; V370-V408 HydrophobicContact CG2-CG1 4.04Å; V370-V408 HydrophobicContact CG2-CG2 4.06Å
371T97.9Very high98Very high13 Ų1337.2 Ų37.28%0.0821%0.205CC..  trans-123.618.8-173.657.80000113.4W236 L239 L243 P369W236-T371 VanDerWaalsContact CE3-C 3.42Å; L239-T371 HydrophobicContact CD1-CG2 4.48Å; L239-T371 HydrophobicContact CD2-CG2 4.27Å; L239-T371 HydrophobicContact CG-CG2 3.92Å; L243-T371 HydrophobicContact CD1-CG2 4.02Å; P369-T371 HydrophobicContact CB-CG2 4.4Å; P369-T371 PolarHBondContact O-N 2.83Å
372E97.7Very high98Very high115 Ų11537.1 Ų37.154%0.53720%0.204SC..SBendtrans-127.5140.5177.9-63.5-176.3177.100110.9W236 K240 A375W236-E372 WeakPolarHBondContact CZ3-O 3.12Å; K240-E372 IonicContact NZ-OE1 3.82Å; E372-A375 HydrophobicContact CB-CB 4.32Å; E372-A375 WeakPolarHBondContact O-CB 3.29Å
373Q98.1Very high97.9Very high122 Ų12237.1 Ų37.157%0.5720%0.204SC*.THydrogen-bonded Turntrans-67.4135.1-178.3-167.2171.723.700112W236 D269 A375W236-Q373 HydrophobicContact CD2-CB 4.02Å; W236-Q373 VanDerWaalsContact CE2-CB 3.49Å; W236-Q373 HydrophobicContact CG-CB 4.31Å; W236-Q373 HydrophobicContact CH2-CB 4.47Å; W236-Q373 VanDerWaalsContact CZ2-CA 3.47Å; W236-Q373 HydrophobicContact CZ2-CB 3.77Å; W236-Q373 HydrophobicContact CZ2-CG 3.84Å; D269-Q373 PolarHBondContact OD2-NE2 3.46Å; Q373-A375 PolarHBondContact O-N 3.2Å; Q373-A375 VanDerWaalsContact O-N 3.17Å
374G97.9Very high97.9Very high48 Ų4836.4 Ų36.450%0.49520%0.197SC..THydrogen-bonded Turntrans65.115.9176.700000114E271 Q376E271-G374 WeakPolarHBondContact OE1-CA 3.35Å; E271-G374 PolarHBondContact OE1-N 2.88Å; E271-G374 PolarHBondContact OE2-N 2.84Å; G374-Q376 PolarHBondContact O-N 3.11Å
375A97.4Very high97.7Very high16 Ų1639.3 Ų39.313%0.13222%0.217CC..  trans-61.8121.9-178.200000110.8V370 E372 Q373 V408V370-A375 HydrophobicContact CG1-CB 3.69Å; E372-A375 HydrophobicContact CB-CB 4.32Å; E372-A375 WeakPolarHBondContact O-CB 3.29Å; Q373-A375 PolarHBondContact O-N 3.2Å; Q373-A375 VanDerWaalsContact O-N 3.17Å; A375-V408 HydrophobicContact CB-CG2 4.48Å; A375-V408 WeakPolarHBondContact O-CG2 3.3Å
376Q97.4Very high97.5Very high157 Ų15745.2 Ų45.273%0.73425%0.248SC*.SBendtrans-98.7-17.8173.3-62.9-175.9-11.800112.2G374 P407 V408G374-Q376 PolarHBondContact O-N 3.11Å; Q376-P407 CarbonylContact O-C 3.56Å; Q376-P407 WeakPolarHBondContact O-CA 3.43Å; Q376-V408 PolarHBondContact O-N 3.05Å
377T97.4Very high97.5Very high81 Ų8147 Ų4750%0.49726%0.257SS..EExtended strand (participates in β ladder)trans-142.3146.7177.8570000110L406T377-L406 CarbonylContact C-O 3.47Å; T377-L406 WeakPolarHBondContact CA-O 3.31Å
378V96.9Very high97.5Very high21 Ų2149 Ų4913%0.12727%0.267CS..EExtended strand (participates in β ladder)trans-126.4145.4169.7-65.70000110.9V370 V380 L406 V408 P414V370-V378 HydrophobicContact CB-CG1 4.48Å; V370-V378 HydrophobicContact CG1-CG1 4.23Å; V370-V378 HydrophobicContact CG2-CG1 3.97Å; V378-V380 HydrophobicContact CG2-CG2 4.18Å; V378-L406 PolarHBondContact N-O 2.75Å; V378-L406 PolarHBondContact O-N 2.82Å; V378-V408 HydrophobicContact CG1-CG1 4.37Å; V378-V408 HydrophobicContact CG1-CG2 3.96Å; V378-V408 HydrophobicContact CG2-CG1 3.61Å; V378-P414 HydrophobicContact CG2-CG 3.5Å; V378-P414 VanDerWaalsContact CG2-CG 3.5Å
379K97.2Very high97.5Very high147 Ų14748.8 Ų48.864%0.63927%0.266SS*.EExtended strand (participates in β ladder)trans-91.3124.1174.1-172.6-176.1176.4-166.70108.7S403 L404K379-S403 VanDerWaalsContact CE-CB 3.48Å; K379-S403 WeakPolarHBondContact CE-OG 3.26Å; K379-L404 CarbonylContact C-O 3.49Å; K379-L404 VanDerWaalsContact CA-O 3.28Å; K379-L404 WeakPolarHBondContact CA-O 3.39Å
380V97.8Very high97.5Very high0 Ų048.9 Ų48.90%027%0.266CS..EExtended strand (participates in β ladder)trans-120.7122179.2-175.80000108.2L366 C368 V378 L382 S403 L404 L406 P414 F416L366-V380 HydrophobicContact CD2-CG1 3.77Å; C368-V380 HydrophobicContact CB-CG1 4.21Å; C368-V380 HydrophobicContact CB-CG2 3.89Å; V378-V380 HydrophobicContact CG2-CG2 4.18Å; V380-L382 HydrophobicContact CG1-CD2 4.03Å; V380-S403 CarbonylContact O-C 3.59Å; V380-S403 VanDerWaalsContact O-CA 3.24Å; V380-S403 WeakPolarHBondContact O-CA 3.48Å; V380-L404 PolarHBondContact N-O 2.75Å; V380-L404 PolarHBondContact O-N 3.04Å; V380-L406 HydrophobicContact CB-CD1 4.35Å; V380-L406 HydrophobicContact CG2-CD1 3.82Å; V380-P414 HydrophobicContact CG2-CB 4.13Å; V380-P414 HydrophobicContact CG2-CG 4.36Å; V380-F416 HydrophobicContact CG1-CD2 4.47Å; V380-F416 HydrophobicContact CG1-CE2 4.08Å
381L97.9Very high97.4Very high13 Ų1349.9 Ų49.97%0.06827%0.271CS..EExtended strand (participates in β ladder)trans-84.1119168.5163.577.2000108.4L342 E355 Q358 P383L342-L381 HydrophobicContact CD1-CD2 4.5Å; E355-L381 HydrophobicContact CG-CD2 3.94Å; Q358-L381 VanDerWaalsContact NE2-CB 3.26Å; Q358-L381 PolarHBondContact NE2-O 3.02Å; Q358-L381 VanDerWaalsContact OE1-N 3.08Å; Q358-L381 PolarHBondContact OE1-O 2.79Å; L381-P383 WeakPolarHBondContact O-CD 3.36Å
382L98.2Very high97.4Very high0 Ų051.3 Ų51.30%028%0.278CS..EExtended strand (participates in β ladder)trans-95.6103.6170.6-64.5-177.4000108.3L366 V380 W389 Y398 G400 G401 K402 L404 F416L366-L382 HydrophobicContact CD1-CD2 4.34Å; L366-L382 HydrophobicContact CD2-CD2 4.39Å; V380-L382 HydrophobicContact CG1-CD2 4.03Å; L382-W389 HydrophobicContact CB-CG 4.23Å; L382-W389 HydrophobicContact CD1-CB 3.93Å; L382-W389 HydrophobicContact CD1-CG 4.19Å; L382-W389 HydrophobicContact CD2-CB 4.13Å; L382-W389 HydrophobicContact CD2-CD2 4.23Å; L382-W389 HydrophobicContact CD2-CG 3.95Å; L382-W389 HydrophobicContact CG-CG 4.36Å; L382-Y398 HydrophobicContact CD1-CG 4.21Å; L382-G400 CarbonylContact O-C 3.53Å; L382-G400 WeakPolarHBondContact O-CA 3.3Å; L382-G401 PolarHBondContact O-N 3.37Å; L382-K402 PolarHBondContact N-O 3.13Å; L382-K402 PolarHBondContact O-N 3.16Å; L382-L404 HydrophobicContact CD1-CD1 3.37Å; L382-L404 HydrophobicContact CD1-CG 3.97Å; L382-L404 HydrophobicContact CG-CD1 4.14Å; L382-L404 HydrophobicContact CG-CG 4.41Å; L382-F416 HydrophobicContact CD2-CB 4.46Å; L382-F416 HydrophobicContact CD2-CD1 4.29Å; L382-F416 HydrophobicContact CD2-CD2 3.92Å; L382-F416 HydrophobicContact CD2-CE2 4.3Å; L382-F416 HydrophobicContact CD2-CG 3.94Å
383P97.5Very high97.1Very high0 Ų050.9 Ų50.90%029%0.287CS..  trans-74.3168.8-175.432.1-37.2000112.5L342 F346 E349 L366 L381 W389L342-P383 HydrophobicContact CD1-CG 4.26Å; F346-P383 HydrophobicContact CB-CB 4.3Å; F346-P383 HydrophobicContact CD1-CB 3.98Å; F346-P383 HydrophobicContact CD1-CG 4.34Å; F346-P383 HydrophobicContact CD2-CB 3.66Å; F346-P383 HydrophobicContact CD2-CG 3.38Å; F346-P383 HydrophobicContact CE1-CB 4.23Å; F346-P383 HydrophobicContact CE1-CG 4.24Å; F346-P383 HydrophobicContact CE2-CB 3.96Å; F346-P383 HydrophobicContact CE2-CG 3.27Å; F346-P383 HydrophobicContact CG-CB 3.69Å; F346-P383 HydrophobicContact CG-CG 3.95Å; F346-P383 HydrophobicContact CZ-CB 4.23Å; F346-P383 HydrophobicContact CZ-CG 3.74Å; E349-P383 WeakPolarHBondContact OE2-CA 3.31Å; E349-P383 VanDerWaalsContact OE2-CB 3.24Å; E349-P383 WeakPolarHBondContact OE2-CB 3.48Å; L366-P383 HydrophobicContact CD1-CG 4.33Å; L381-P383 WeakPolarHBondContact O-CD 3.36Å; P383-W389 HydrophobicContact CG-CZ2 3.89Å; P383-W389 PolarHBondContact O-NE1 3.27Å
384G96.8Very high96.9Very high12 Ų1248 Ų4812%0.12428%0.28CS..  trans74.5102.8177.700000113.7E349 D386 E387 G400 G401E349-G384 PolarHBondContact OE2-N 2.73Å; G384-D386 PolarHBondContact O-N 3.5Å; G384-D386 VanDerWaalsContact O-N 3.16Å; G384-E387 WeakPolarHBondContact O-CB 3.22Å; G384-E387 PolarHBondContact O-N 2.6Å; G384-G400 CarbonylContact O-C 3.57Å; G384-G400 WeakPolarHBondContact O-CA 3.33Å; G384-G401 PolarHBondContact O-N 3.28Å
385S95Very high96.8Very high69 Ų6945.9 Ų45.948%0.48326%0.259SS..THydrogen-bonded Turntrans-62.6-24.1-177.954.30000114.6K399S385-K399 WeakPolarHBondContact O-CE 3.31Å
386D94.6Very high96.7Very high127 Ų12750.5 Ų50.568%0.67928%0.276SS*.THydrogen-bonded Turntrans-97.3-0.8177.2-61.9-38.3000112.9G384G384-D386 PolarHBondContact O-N 3.5Å; G384-D386 VanDerWaalsContact O-N 3.16Å
387E97.6Very high96.6Very high39 Ų3945.6 Ų45.618%0.18226%0.262CS..  trans-82.6154178.2-64.1-65.5157.600112.2F346 G384 G400 R418F346-E387 HydrophobicContact CE1-CG 3.94Å; F346-E387 HydrophobicContact CZ-CG 4.37Å; G384-E387 WeakPolarHBondContact O-CB 3.22Å; G384-E387 PolarHBondContact O-N 2.6Å; E387-G400 PolarHBondContact O-N 2.95Å; E387-R418 VanDerWaalsContact CD-NH2 3.31Å; E387-R418 IonicContact OE1-CZ 3.11Å; E387-R418 IonicContact OE1-NE 3.5Å; E387-R418 PolarHBondContact OE1-NE 3.29Å; E387-R418 IonicContact OE1-NH2 2.82Å; E387-R418 PolarHBondContact OE1-NH2 2.73Å; E387-R418 WeakPolarHBondContact OE2-CG 3.3Å; E387-R418 IonicContact OE2-CZ 3.56Å; E387-R418 IonicContact OE2-NE 2.77Å; E387-R418 PolarHBondContact OE2-NE 3.22Å; E387-R418 IonicContact OE2-NH2 3.5Å
388I98.1Very high96.6Very high41 Ų4143.3 Ų43.321%0.2125%0.245CC..EExtended strand (participates in β ladder)trans-115.7136169-55.8174.6000107.2Y390 A397 Y398 G419I388-Y390 HydrophobicContact CB-CE2 4.28Å; I388-Y390 HydrophobicContact CG2-CD2 4.34Å; I388-Y390 HydrophobicContact CG2-CE1 4.1Å; I388-Y390 HydrophobicContact CG2-CE2 3.71Å; I388-A397 HydrophobicContact CG2-CB 4.04Å; I388-Y398 CarbonylContact C-O 3.59Å; I388-Y398 WeakPolarHBondContact CA-O 3.34Å; I388-G419 WeakPolarHBondContact O-CA 3.48Å; I388-G419 PolarHBondContact O-N 2.87Å
389W98.6Very high96.6Very high0 Ų048.7 Ų48.70%027%0.266CS..EExtended strand (participates in β ladder)trans-120.7126.7178-68.194.2000109.7F346 M360 L366 L382 P383 A397 Y398 F416 R418F346-W389 HydrophobicContact CE2-CH2 4.35Å; F346-W389 HydrophobicContact CE2-CZ2 4.03Å; F346-W389 HydrophobicContact CZ-CH2 4.3Å; F346-W389 AromaticContact CZ-CZ2 3.71Å; F346-W389 HydrophobicContact CZ-CZ2 3.71Å; M360-W389 HydrophobicContact CE-CH2 3.71Å; M360-W389 HydrophobicContact CE-CZ3 4.13Å; M360-W389 HydrophobicContact SD-CH2 3.55Å; M360-W389 VanDerWaalsContact SD-CH2 3.55Å; M360-W389 HydrophobicContact SD-CZ3 4.1Å; L366-W389 HydrophobicContact CB-CE3 4.05Å; L366-W389 HydrophobicContact CB-CH2 3.93Å; L366-W389 HydrophobicContact CB-CZ3 3.44Å; L366-W389 VanDerWaalsContact CB-CZ3 3.44Å; L366-W389 HydrophobicContact CD1-CH2 4.1Å; L366-W389 HydrophobicContact CD1-CZ2 4.34Å; L366-W389 HydrophobicContact CD1-CZ3 4.29Å; L382-W389 HydrophobicContact CB-CG 4.23Å; L382-W389 HydrophobicContact CD1-CB 3.93Å; L382-W389 HydrophobicContact CD1-CG 4.19Å; L382-W389 HydrophobicContact CD2-CB 4.13Å; L382-W389 HydrophobicContact CD2-CD2 4.23Å; L382-W389 HydrophobicContact CD2-CG 3.95Å; L382-W389 HydrophobicContact CG-CG 4.36Å; P383-W389 HydrophobicContact CG-CZ2 3.89Å; P383-W389 PolarHBondContact O-NE1 3.27Å; W389-A397 CarbonylContact O-C 3.46Å; W389-A397 WeakPolarHBondContact O-CA 3.39Å; W389-Y398 PolarHBondContact N-O 3.2Å; W389-Y398 PolarHBondContact O-N 3.28Å; W389-F416 HydrophobicContact CB-CB 4.23Å; W389-F416 HydrophobicContact CB-CD1 4.31Å; W389-F416 HydrophobicContact CE3-CB 3.77Å; W389-R418 HydrophobicContact CE3-CB 3.97Å; W389-R418 HydrophobicContact CE3-CG 4.41Å; W389-R418 HydrophobicContact CH2-CB 3.8Å; W389-R418 HydrophobicContact CH2-CG 3.81Å; W389-R418 HydrophobicContact CZ2-CB 4.45Å; W389-R418 HydrophobicContact CZ2-CG 4.02Å; W389-R418 HydrophobicContact CZ3-CB 3.53Å; W389-R418 HydrophobicContact CZ3-CG 4.02Å
390Y98.5Very high96.6Very high5 Ų542 Ų422%0.0224%0.238CC..EExtended strand (participates in β ladder)trans-105.1119.5-180-60.9-85.9000109.8I388 I392 K396 A397 F416 Q417 L447 M508 G509I388-Y390 HydrophobicContact CB-CE2 4.28Å; I388-Y390 HydrophobicContact CG2-CD2 4.34Å; I388-Y390 HydrophobicContact CG2-CE1 4.1Å; I388-Y390 HydrophobicContact CG2-CE2 3.71Å; Y390-I392 PolarHBondContact O-N 3.26Å; Y390-K396 WeakPolarHBondContact CA-O 3.41Å; Y390-A397 HydrophobicContact CD1-CB 3.88Å; Y390-A397 HydrophobicContact CE1-CB 3.72Å; Y390-F416 CarbonylContact O-C 3.49Å; Y390-F416 VanDerWaalsContact O-CA 3.26Å; Y390-F416 WeakPolarHBondContact O-CA 3.22Å; Y390-Q417 PolarHBondContact N-O 2.89Å; Y390-Q417 PolarHBondContact O-N 3.31Å; Y390-L447 VanDerWaalsContact CE2-O 3.29Å; Y390-L447 WeakPolarHBondContact CE2-O 3.33Å; Y390-L447 PolarHBondContact OH-O 2.71Å; Y390-M508 HydrophobicContact CD1-CB 3.59Å; Y390-M508 HydrophobicContact CD1-CG 4.43Å; Y390-M508 HydrophobicContact CD1-SD 4.21Å; Y390-M508 HydrophobicContact CD2-CE 4.25Å; Y390-M508 HydrophobicContact CE1-CB 3.67Å; Y390-M508 HydrophobicContact CG-CB 4.05Å; Y390-M508 HydrophobicContact CG-CE 3.94Å; Y390-M508 HydrophobicContact CG-SD 4.05Å; Y390-G509 WeakPolarHBondContact OH-CA 3.46Å
391D97.6Very high96.5Very high22 Ų2243.9 Ų43.912%0.11826%0.259CS..EExtended strand (participates in β ladder)trans-60.1123.2170.6177.6-66.9000109.5S393 S394 A395 K396 Y398 F416D391-S393 PolarHBondContact O-N 3.05Å; D391-S393 WeakPolarHBondContact OD1-CA 3.33Å; D391-S393 WeakPolarHBondContact OD1-CB 3.43Å; D391-S393 PolarHBondContact OD1-N 3.02Å; D391-S393 PolarHBondContact OD1-OG 2.75Å; D391-S394 WeakPolarHBondContact CB-OG 3.3Å; D391-S394 VanDerWaalsContact CG-OG 3.24Å; D391-S394 PolarHBondContact OD1-N 2.67Å; D391-S394 PolarHBondContact OD1-OG 3.18Å; D391-S394 VanDerWaalsContact OD1-OG 3.04Å; D391-A395 WeakPolarHBondContact O-CA 3.36Å; D391-A395 PolarHBondContact O-N 2.95Å; D391-K396 PolarHBondContact N-O 3.5Å; D391-Y398 HydrophobicContact CB-CE2 4.11Å; D391-F416 HydrophobicContact CB-CD1 4.15Å; D391-F416 HydrophobicContact CB-CE1 3.88Å
392I96.4Very high96.4Very high42 Ų4247.8 Ų47.822%0.21528%0.275CS..THydrogen-bonded Turntrans-69.5-18.8-170.868.1165.9000113.4F320 L365 Y390 V415 Q417F320-I392 HydrophobicContact CE2-CD1 4.22Å; F320-I392 HydrophobicContact CZ-CD1 3.94Å; L365-I392 HydrophobicContact CD2-CG2 4.3Å; Y390-I392 PolarHBondContact O-N 3.26Å; I392-V415 HydrophobicContact CD1-CB 3.65Å; I392-V415 HydrophobicContact CD1-CG1 3.7Å; I392-V415 HydrophobicContact CD1-CG2 4.43Å; I392-V415 HydrophobicContact CG1-CB 3.93Å; I392-V415 HydrophobicContact CG1-CG1 4.22Å; I392-V415 HydrophobicContact CG2-CG1 4.16Å; I392-V415 PolarHBondContact N-O 3.03Å; I392-V415 VanDerWaalsContact N-O 3.11Å; I392-Q417 HydrophobicContact CG2-CB 4.08Å
393S93.1Very high96.3Very high106 Ų10650.5 Ų50.574%0.74129%0.294SS*.THydrogen-bonded Turntrans-88.7-45.2-177.374.30000111.3D391D391-S393 PolarHBondContact O-N 3.05Å; D391-S393 WeakPolarHBondContact OD1-CA 3.33Å; D391-S393 WeakPolarHBondContact OD1-CB 3.43Å; D391-S393 PolarHBondContact OD1-N 3.02Å; D391-S393 PolarHBondContact OD1-OG 2.75Å
394S93.3Very high96.3Very high61 Ų6151.6 Ų51.643%0.42730%0.3SS..THydrogen-bonded Turntrans-101.5-12.7-174.462.80000113.9D391 K396D391-S394 WeakPolarHBondContact CB-OG 3.3Å; D391-S394 VanDerWaalsContact CG-OG 3.24Å; D391-S394 PolarHBondContact OD1-N 2.67Å; D391-S394 PolarHBondContact OD1-OG 3.18Å; D391-S394 VanDerWaalsContact OD1-OG 3.04Å; S394-K396 PolarHBondContact O-N 3.34Å; S394-K396 WeakPolarHBondContact OG-CB 3.36Å; S394-K396 PolarHBondContact OG-N 2.88Å
395A95.1Very high96.3Very high5 Ų555.3 Ų55.34%0.04132%0.324CS..  trans59.112.2-168.700000114.5D391 A397 M508 C537 K539D391-A395 WeakPolarHBondContact O-CA 3.36Å; D391-A395 PolarHBondContact O-N 2.95Å; A395-A397 PolarHBondContact O-N 2.82Å; A395-M508 HydrophobicContact CB-CG 4.22Å; A395-M508 HydrophobicContact CB-SD 3.88Å; A395-C537 HydrophobicContact CB-CB 4.36Å; A395-K539 HydrophobicContact CB-CD 3.87Å
396K95.4Very high96.3Very high112 Ų11253 Ų5349%0.48731%0.306SS..  trans-67.1130.5177.9-178.7171.4167.8-1630110.3Y390 D391 S394 Y398Y390-K396 WeakPolarHBondContact CA-O 3.41Å; D391-K396 PolarHBondContact N-O 3.5Å; S394-K396 PolarHBondContact O-N 3.34Å; S394-K396 WeakPolarHBondContact OG-CB 3.36Å; S394-K396 PolarHBondContact OG-N 2.88Å; K396-Y398 HydrophobicContact CB-CE2 4.1Å; K396-Y398 HydrophobicContact CD-CE1 4.32Å; K396-Y398 HydrophobicContact CD-CE2 4.16Å; K396-Y398 WeakPolarHBondContact CD-OH 3.22Å; K396-Y398 WeakPolarHBondContact CE-OH 3.46Å; K396-Y398 HydrophobicContact CG-CE2 3.87Å; K396-Y398 PolarHBondContact NZ-OH 3.18Å; K396-Y398 WeakPolarHBondContact O-CD2 3.23Å
397A96.6Very high96.5Very high54 Ų5451.8 Ų51.845%0.44631%0.305SS..EExtended strand (participates in β ladder)trans-86.5141.6178.100000112I388 W389 Y390 A395I388-A397 HydrophobicContact CG2-CB 4.04Å; W389-A397 CarbonylContact O-C 3.46Å; W389-A397 WeakPolarHBondContact O-CA 3.39Å; Y390-A397 HydrophobicContact CD1-CB 3.88Å; Y390-A397 HydrophobicContact CE1-CB 3.72Å; A395-A397 PolarHBondContact O-N 2.82Å
398Y97.1Very high96.4Very high34 Ų3450.6 Ų50.613%0.13330%0.3CS..EExtended strand (participates in β ladder)trans-131.2138175.3-63.2-87.7000109.4L382 I388 W389 D391 K396 L404 F416L382-Y398 HydrophobicContact CD1-CG 4.21Å; I388-Y398 CarbonylContact C-O 3.59Å; I388-Y398 WeakPolarHBondContact CA-O 3.34Å; W389-Y398 PolarHBondContact N-O 3.2Å; W389-Y398 PolarHBondContact O-N 3.28Å; D391-Y398 HydrophobicContact CB-CE2 4.11Å; K396-Y398 HydrophobicContact CB-CE2 4.1Å; K396-Y398 HydrophobicContact CD-CE1 4.32Å; K396-Y398 HydrophobicContact CD-CE2 4.16Å; K396-Y398 WeakPolarHBondContact CD-OH 3.22Å; K396-Y398 WeakPolarHBondContact CE-OH 3.46Å; K396-Y398 HydrophobicContact CG-CE2 3.87Å; K396-Y398 PolarHBondContact NZ-OH 3.18Å; K396-Y398 WeakPolarHBondContact O-CD2 3.23Å; Y398-L404 HydrophobicContact CD1-CD1 3.4Å; Y398-L404 HydrophobicContact CD1-CD2 4.14Å; Y398-L404 HydrophobicContact CD1-CG 4.43Å; Y398-L404 HydrophobicContact CD2-CD1 4.3Å; Y398-L404 HydrophobicContact CE1-CD1 3.72Å; Y398-L404 HydrophobicContact CG-CD1 3.71Å; Y398-F416 HydrophobicContact CD2-CD1 4.28Å; Y398-F416 AromaticContact CD2-CE1 3.83Å; Y398-F416 HydrophobicContact CD2-CE1 3.83Å; Y398-F416 AromaticContact CE2-CE1 3.85Å; Y398-F416 HydrophobicContact CE2-CE1 3.85Å
399K97.2Very high96.3Very high134 Ų13452.7 Ų52.758%0.58331%0.312SS*.EExtended strand (participates in β ladder)trans-72.4137.7168.3-170.8176.6178.3177.70109.6S385 K402S385-K399 WeakPolarHBondContact O-CE 3.31Å; K399-K402 WeakPolarHBondContact O-CE 3.38Å
400G97.3Very high96.2Very high5 Ų554.3 Ų54.35%0.05232%0.32CS..SBendtrans-75.5-171.7172.600000113.6L382 G384 E387 K402L382-G400 CarbonylContact O-C 3.53Å; L382-G400 WeakPolarHBondContact O-CA 3.3Å; G384-G400 CarbonylContact O-C 3.57Å; G384-G400 WeakPolarHBondContact O-CA 3.33Å; E387-G400 PolarHBondContact O-N 2.95Å; G400-K402 VanDerWaalsContact C-N 3.34Å
401G95.6Very high95.9Very high41 Ų4158.6 Ų58.642%0.42334%0.344SS..SBendtrans69.925.5-173.900000113.9L382 G384L382-G401 PolarHBondContact O-N 3.37Å; G384-G401 PolarHBondContact O-N 3.28Å
402K94.8Very high95.6Very high95 Ų9560 Ų6041%0.41335%0.353SS..EExtended strand (participates in β ladder)trans-152.4157.3-179.665.2176.7177.4171.70113.1L382 K399 G400 L404L382-K402 PolarHBondContact N-O 3.13Å; L382-K402 PolarHBondContact O-N 3.16Å; K399-K402 WeakPolarHBondContact O-CE 3.38Å; G400-K402 VanDerWaalsContact C-N 3.34Å; K402-L404 HydrophobicContact CD-CD2 4.24Å; K402-L404 HydrophobicContact CG-CD2 4.47Å
403S96.5Very high95.6Very high57 Ų5759.2 Ų59.240%0.39935%0.35SS..EExtended strand (participates in β ladder)trans-87.8141.6166.5-52.50000111.9K379 V380K379-S403 VanDerWaalsContact CE-CB 3.48Å; K379-S403 WeakPolarHBondContact CE-OG 3.26Å; V380-S403 CarbonylContact O-C 3.59Å; V380-S403 VanDerWaalsContact O-CA 3.24Å; V380-S403 WeakPolarHBondContact O-CA 3.48Å
404L96.5Very high95.8Very high23 Ų2354.4 Ų54.412%0.1232%0.317CS..EExtended strand (participates in β ladder)trans-109.7146.3170.4-60.1-177.4000109.7K379 V380 L382 Y398 K402 L406K379-L404 CarbonylContact C-O 3.49Å; K379-L404 VanDerWaalsContact CA-O 3.28Å; K379-L404 WeakPolarHBondContact CA-O 3.39Å; V380-L404 PolarHBondContact N-O 2.75Å; V380-L404 PolarHBondContact O-N 3.04Å; L382-L404 HydrophobicContact CD1-CD1 3.37Å; L382-L404 HydrophobicContact CD1-CG 3.97Å; L382-L404 HydrophobicContact CG-CD1 4.14Å; L382-L404 HydrophobicContact CG-CG 4.41Å; Y398-L404 HydrophobicContact CD1-CD1 3.4Å; Y398-L404 HydrophobicContact CD1-CD2 4.14Å; Y398-L404 HydrophobicContact CD1-CG 4.43Å; Y398-L404 HydrophobicContact CD2-CD1 4.3Å; Y398-L404 HydrophobicContact CE1-CD1 3.72Å; Y398-L404 HydrophobicContact CG-CD1 3.71Å; K402-L404 HydrophobicContact CD-CD2 4.24Å; K402-L404 HydrophobicContact CG-CD2 4.47Å; L404-L406 HydrophobicContact CB-CD1 4.45Å; L404-L406 HydrophobicContact CB-CD2 4.26Å; L404-L406 HydrophobicContact CB-CG 4.06Å; L404-L406 HydrophobicContact CD1-CD2 4.31Å
405S97.3Very high96Very high90 Ų9052 Ų5263%0.62930%0.299SS*.EExtended strand (participates in β ladder)trans-105.2114.5163.9-173.60000107.5
406L96.3Very high96.2Very high20 Ų2051.7 Ų51.711%0.10530%0.297CS..EExtended strand (participates in β ladder)trans-114.5133.8-172.4-64.4168.9000110.4T377 V378 V380 L404 P414 F416T377-L406 CarbonylContact C-O 3.47Å; T377-L406 WeakPolarHBondContact CA-O 3.31Å; V378-L406 PolarHBondContact N-O 2.75Å; V378-L406 PolarHBondContact O-N 2.82Å; V380-L406 HydrophobicContact CB-CD1 4.35Å; V380-L406 HydrophobicContact CG2-CD1 3.82Å; L404-L406 HydrophobicContact CB-CD1 4.45Å; L404-L406 HydrophobicContact CB-CD2 4.26Å; L404-L406 HydrophobicContact CB-CG 4.06Å; L404-L406 HydrophobicContact CD1-CD2 4.31Å; L406-P414 HydrophobicContact CD1-CB 4.28Å; L406-F416 HydrophobicContact CD1-CE2 3.96Å; L406-F416 HydrophobicContact CD1-CZ 3.46Å; L406-F416 VanDerWaalsContact CD1-CZ 3.46Å
407P96.9Very high96.4Very high102 Ų10246.4 Ų46.466%0.66227%0.274SS*.EExtended strand (participates in β ladder)trans-65.5137.4172.429.6-33.6000109.7Q376Q376-P407 CarbonylContact O-C 3.56Å; Q376-P407 WeakPolarHBondContact O-CA 3.43Å
408V97Very high96.5Very high13 Ų1345.9 Ų45.98%0.07926%0.26CS..  trans-130.8147.5173.6-67.70000109.7V370 A375 Q376 V378 T412 P414V370-V408 HydrophobicContact CG2-CB 4.11Å; V370-V408 HydrophobicContact CG2-CG1 4.04Å; V370-V408 HydrophobicContact CG2-CG2 4.06Å; A375-V408 HydrophobicContact CB-CG2 4.48Å; A375-V408 WeakPolarHBondContact O-CG2 3.3Å; Q376-V408 PolarHBondContact O-N 3.05Å; V378-V408 HydrophobicContact CG1-CG1 4.37Å; V378-V408 HydrophobicContact CG1-CG2 3.96Å; V378-V408 HydrophobicContact CG2-CG1 3.61Å; V408-T412 HydrophobicContact CG1-CG2 4.17Å; V408-P414 HydrophobicContact CG1-CG 4.01Å
409N95.8Very high96.6Very high85 Ų8544.4 Ų44.446%0.45526%0.255SS..  trans-128-174.4168.163.521.4000108.3R275 D411 T412R275-N409 VanDerWaalsContact CZ-O 3.31Å; R275-N409 PolarHBondContact NH1-O 3.13Å; R275-N409 VanDerWaalsContact NH2-C 3.26Å; R275-N409 PolarHBondContact NH2-O 2.77Å; N409-D411 PolarHBondContact O-N 2.8Å; N409-D411 VanDerWaalsContact O-N 3.16Å; N409-D411 PolarHBondContact OD1-N 3.41Å; N409-T412 PolarHBondContact O-N 2.81Å; N409-T412 VanDerWaalsContact O-N 3.16Å; N409-T412 PolarHBondContact OD1-N 3.33Å; N409-T412 VanDerWaalsContact OD1-N 3.11Å; N409-T412 PolarHBondContact OD1-OG1 2.71Å
410L95.4Very high96.6Very high34 Ų3439.1 Ų39.118%0.17824%0.239CC..THydrogen-bonded Turntrans-58.3-27.5-178.1-167.363.7000113.2E271 V274 Q278 E305E271-L410 HydrophobicContact CG-CD1 4.09Å; V274-L410 HydrophobicContact CB-CD1 3.77Å; V274-L410 HydrophobicContact CB-CG 4.37Å; V274-L410 HydrophobicContact CG1-CD1 3.74Å; V274-L410 HydrophobicContact CG1-CG 4Å; V274-L410 HydrophobicContact CG2-CD1 4.03Å; V274-L410 HydrophobicContact CG2-CD2 4.37Å; V274-L410 HydrophobicContact CG2-CG 4.29Å; Q278-L410 PolarHBondContact NE2-O 3.05Å; E305-L410 HydrophobicContact CG-CD2 4.28Å
411D92.7Very high96.7Very high96 Ų9639.2 Ų39.251%0.51324%0.239SC..THydrogen-bonded Turntrans-93.6-4.7-177.5-61.4-45.4000114.1N409N409-D411 PolarHBondContact O-N 2.8Å; N409-D411 VanDerWaalsContact O-N 3.16Å; N409-D411 PolarHBondContact OD1-N 3.41Å
412T91.8Very high96.9Very high51 Ų5137.5 Ų37.531%0.31322%0.22SC..  trans-105.7131-171.8-52.50000111.7R275 V408 N409R275-T412 PolarHBondContact NH1-O 3.48Å; R275-T412 VanDerWaalsContact NH1-O 3.12Å; V408-T412 HydrophobicContact CG1-CG2 4.17Å; N409-T412 PolarHBondContact O-N 2.81Å; N409-T412 VanDerWaalsContact O-N 3.16Å; N409-T412 PolarHBondContact OD1-N 3.33Å; N409-T412 VanDerWaalsContact OD1-N 3.11Å; N409-T412 PolarHBondContact OD1-OG1 2.71Å
413V95.6Very high97.1Very high26 Ų2633 Ų3316%0.15820%0.201CC..  trans-128.6115.7167.6-1730000108.1Q278 L282 V415Q278-V413 HydrophobicContact CB-CG2 3.51Å; Q278-V413 HydrophobicContact CG-CG2 3.41Å; Q278-V413 VanDerWaalsContact CG-CG2 3.41Å; L282-V413 HydrophobicContact CD1-CG1 3.74Å; V413-V415 HydrophobicContact CG1-CG2 4.27Å; V413-V415 PolarHBondContact O-N 3.24Å; V413-V415 VanDerWaalsContact O-N 3.16Å
414P97.8Very high97.1Very high5 Ų530.4 Ų30.43%0.03218%0.183CC..  trans-61.5118176.3-17.224.1000111.6C368 V378 V380 L406 V408 F416C368-P414 HydrophobicContact CB-CB 4.38Å; C368-P414 PolarHBondContact N-O 2.84Å; C368-P414 WeakPolarHBondContact O-CD 3.21Å; V378-P414 HydrophobicContact CG2-CG 3.5Å; V378-P414 VanDerWaalsContact CG2-CG 3.5Å; V380-P414 HydrophobicContact CG2-CB 4.13Å; V380-P414 HydrophobicContact CG2-CG 4.36Å; L406-P414 HydrophobicContact CD1-CB 4.28Å; V408-P414 HydrophobicContact CG1-CG 4.01Å; P414-F416 HydrophobicContact CB-CE2 3.89Å
415V98.6Very high97.2Very high9 Ų930.9 Ų30.96%0.05518%0.183CC..EExtended strand (participates in β ladder)trans-138.7133172.2-177.10000108.9L282 L365 L366 A367 I392 V413L282-V415 HydrophobicContact CD1-CG2 4.22Å; L282-V415 HydrophobicContact CD2-CG2 4.37Å; L365-V415 HydrophobicContact CB-CG1 4.42Å; L366-V415 CarbonylContact O-C 3.5Å; L366-V415 VanDerWaalsContact O-CA 3.25Å; L366-V415 WeakPolarHBondContact O-CA 3.29Å; A367-V415 HydrophobicContact CB-CG2 4.37Å; I392-V415 HydrophobicContact CD1-CB 3.65Å; I392-V415 HydrophobicContact CD1-CG1 3.7Å; I392-V415 HydrophobicContact CD1-CG2 4.43Å; I392-V415 HydrophobicContact CG1-CB 3.93Å; I392-V415 HydrophobicContact CG1-CG1 4.22Å; I392-V415 HydrophobicContact CG2-CG1 4.16Å; I392-V415 PolarHBondContact N-O 3.03Å; I392-V415 VanDerWaalsContact N-O 3.11Å; V413-V415 HydrophobicContact CG1-CG2 4.27Å; V413-V415 PolarHBondContact O-N 3.24Å; V413-V415 VanDerWaalsContact O-N 3.16Å
416F98.8Very high97.2Very high0 Ų026.9 Ų26.90%016%0.155CC..EExtended strand (participates in β ladder)trans-124.4135.4-176.4-61.9-91.2000110.5L365 L366 V380 L382 W389 Y390 D391 Y398 L406 P414L365-F416 CarbonylContact C-O 3.57Å; L365-F416 VanDerWaalsContact CA-O 3.22Å; L365-F416 WeakPolarHBondContact CA-O 3.35Å; L366-F416 HydrophobicContact CB-CB 4.42Å; L366-F416 HydrophobicContact CD2-CD2 4.06Å; L366-F416 PolarHBondContact N-O 3.2Å; L366-F416 PolarHBondContact O-N 3.1Å; V380-F416 HydrophobicContact CG1-CD2 4.47Å; V380-F416 HydrophobicContact CG1-CE2 4.08Å; L382-F416 HydrophobicContact CD2-CB 4.46Å; L382-F416 HydrophobicContact CD2-CD1 4.29Å; L382-F416 HydrophobicContact CD2-CD2 3.92Å; L382-F416 HydrophobicContact CD2-CE2 4.3Å; L382-F416 HydrophobicContact CD2-CG 3.94Å; W389-F416 HydrophobicContact CB-CB 4.23Å; W389-F416 HydrophobicContact CB-CD1 4.31Å; W389-F416 HydrophobicContact CE3-CB 3.77Å; Y390-F416 CarbonylContact O-C 3.49Å; Y390-F416 VanDerWaalsContact O-CA 3.26Å; Y390-F416 WeakPolarHBondContact O-CA 3.22Å; D391-F416 HydrophobicContact CB-CD1 4.15Å; D391-F416 HydrophobicContact CB-CE1 3.88Å; Y398-F416 HydrophobicContact CD2-CD1 4.28Å; Y398-F416 AromaticContact CD2-CE1 3.83Å; Y398-F416 HydrophobicContact CD2-CE1 3.83Å; Y398-F416 AromaticContact CE2-CE1 3.85Å; Y398-F416 HydrophobicContact CE2-CE1 3.85Å; L406-F416 HydrophobicContact CD1-CE2 3.96Å; L406-F416 HydrophobicContact CD1-CZ 3.46Å; L406-F416 VanDerWaalsContact CD1-CZ 3.46Å; P414-F416 HydrophobicContact CB-CE2 3.89Å
417Q98.8Very high97.1Very high0 Ų028 Ų280%016%0.163CC..EExtended strand (participates in β ladder)trans-88.1126.2167.1-178.3171-9.300109.7A364 L365 Y390 I392 S421 V423 T444 M508A364-Q417 CarbonylContact O-C 3.49Å; A364-Q417 WeakPolarHBondContact O-CA 3.42Å; L365-Q417 HydrophobicContact CD2-CB 3.88Å; L365-Q417 HydrophobicContact CD2-CG 4.19Å; Y390-Q417 PolarHBondContact N-O 2.89Å; Y390-Q417 PolarHBondContact O-N 3.31Å; I392-Q417 HydrophobicContact CG2-CB 4.08Å; Q417-S421 VanDerWaalsContact CG-OG 3.22Å; Q417-S421 WeakPolarHBondContact CG-OG 3.45Å; Q417-S421 PolarHBondContact NE2-O 3.04Å; Q417-S421 VanDerWaalsContact NE2-O 3.09Å; Q417-S421 PolarHBondContact NE2-OG 2.91Å; Q417-V423 HydrophobicContact CG-CG2 4.42Å; Q417-T444 PolarHBondContact NE2-O 3.22Å; Q417-T444 VanDerWaalsContact NE2-O 3.07Å; Q417-T444 PolarHBondContact OE1-OG1 2.88Å; Q417-M508 HydrophobicContact CB-CE 4.25Å; Q417-M508 HydrophobicContact CG-CE 4.31Å; Q417-M508 VanDerWaalsContact OE1-CE 3.3Å
418R98.8Very high96.9Very high43 Ų4325.5 Ų25.516%0.16216%0.155CC..EExtended strand (participates in β ladder)trans-66.3135.8173.4-164.8-176.8172.6167.41.5109.8E345 F346 G363 A364 E387 W389 S421E345-R418 IonicContact OE2-NH1 3.82Å; F346-R418 VanDerWaalsContact CZ-CZ 3.46Å; G363-R418 WeakPolarHBondContact O-CD 3.2Å; A364-R418 PolarHBondContact O-N 2.92Å; E387-R418 VanDerWaalsContact CD-NH2 3.31Å; E387-R418 IonicContact OE1-CZ 3.11Å; E387-R418 IonicContact OE1-NE 3.5Å; E387-R418 PolarHBondContact OE1-NE 3.29Å; E387-R418 IonicContact OE1-NH2 2.82Å; E387-R418 PolarHBondContact OE1-NH2 2.73Å; E387-R418 WeakPolarHBondContact OE2-CG 3.3Å; E387-R418 IonicContact OE2-CZ 3.56Å; E387-R418 IonicContact OE2-NE 2.77Å; E387-R418 PolarHBondContact OE2-NE 3.22Å; E387-R418 IonicContact OE2-NH2 3.5Å; W389-R418 HydrophobicContact CE3-CB 3.97Å; W389-R418 HydrophobicContact CE3-CG 4.41Å; W389-R418 HydrophobicContact CH2-CB 3.8Å; W389-R418 HydrophobicContact CH2-CG 3.81Å; W389-R418 HydrophobicContact CZ2-CB 4.45Å; W389-R418 HydrophobicContact CZ2-CG 4.02Å; W389-R418 HydrophobicContact CZ3-CB 3.53Å; W389-R418 HydrophobicContact CZ3-CG 4.02Å; R418-S421 WeakPolarHBondContact O-CB 3.46Å; R418-S421 PolarHBondContact O-N 3.3Å; R418-S421 PolarHBondContact O-OG 3.15Å
419G98.6Very high96.8Very high3 Ų329.6 Ų29.63%0.03119%0.185CC..THydrogen-bonded Turntrans-60.4149.2167.700000110.1I388 S421 G446I388-G419 WeakPolarHBondContact O-CA 3.48Å; I388-G419 PolarHBondContact O-N 2.87Å; G419-S421 VanDerWaalsContact C-N 3.33Å; G419-G446 CarbonylContact C-O 3.44Å; G419-G446 WeakPolarHBondContact CA-O 3.42Å
420G98.6Very high96.8Very high23 Ų2326.4 Ų26.424%0.23717%0.172CC..THydrogen-bonded Turntrans86.13.4-171.300000113.8G446 S452 A453 D454G420-G446 PolarHBondContact N-O 3.27Å; G420-S452 WeakPolarHBondContact CA-O 3.38Å; G420-A453 VanDerWaalsContact C-CA 3.44Å; G420-A453 CarbonylContact O-C 3.38Å; G420-A453 VanDerWaalsContact O-CA 3.28Å; G420-A453 WeakPolarHBondContact O-CA 3.31Å; G420-D454 PolarHBondContact O-N 2.76Å
421S98.8Very high96.9Very high8 Ų827.4 Ų27.46%0.05618%0.179CC..EExtended strand (participates in β ladder)trans-117147.9-176.974.50000114.2Q417 R418 G419 G446 D454Q417-S421 VanDerWaalsContact CG-OG 3.22Å; Q417-S421 WeakPolarHBondContact CG-OG 3.45Å; Q417-S421 PolarHBondContact NE2-O 3.04Å; Q417-S421 VanDerWaalsContact NE2-O 3.09Å; Q417-S421 PolarHBondContact NE2-OG 2.91Å; R418-S421 WeakPolarHBondContact O-CB 3.46Å; R418-S421 PolarHBondContact O-N 3.3Å; R418-S421 PolarHBondContact O-OG 3.15Å; G419-S421 VanDerWaalsContact C-N 3.33Å; S421-G446 PolarHBondContact N-O 3.13Å; S421-G446 PolarHBondContact O-N 3.37Å; S421-D454 CarbonylContact C-O 3.57Å; S421-D454 WeakPolarHBondContact CA-O 3.22Å
422V98.9Very high97.2Very high5 Ų522.8 Ų22.83%0.0316%0.155CC..EExtended strand (participates in β ladder)trans-114128.6166.9-175.20000109.7V443 T444 V445 A453 D454 F478V422-V443 HydrophobicContact CG1-CG1 3.4Å; V422-V443 VanDerWaalsContact CG1-CG1 3.4Å; V422-T444 CarbonylContact C-O 3.51Å; V422-T444 WeakPolarHBondContact CA-O 3.37Å; V422-V445 HydrophobicContact CG1-CG2 4.2Å; V422-V445 HydrophobicContact CG2-CG1 4.21Å; V422-V445 HydrophobicContact CG2-CG2 4.13Å; V422-A453 HydrophobicContact CG2-CB 4Å; V422-D454 PolarHBondContact N-O 2.82Å; V422-F478 HydrophobicContact CB-CB 3.97Å; V422-F478 HydrophobicContact CG1-CB 3.68Å; V422-F478 HydrophobicContact CG1-CD1 4.39Å; V422-F478 HydrophobicContact CG1-CD2 4.41Å; V422-F478 HydrophobicContact CG1-CG 3.93Å; V422-F478 HydrophobicContact CG2-CB 3.97Å
423V98.8Very high97.5Very high0 Ų020.6 Ų20.60%014%0.141CC..EExtended strand (participates in β ladder)trans-125.2123.8-179.91780000110.1F320 F323 A364 L365 Q417 R425 T444F320-V423 HydrophobicContact CD1-CG1 4.34Å; F320-V423 HydrophobicContact CE1-CG1 4.11Å; F323-V423 HydrophobicContact CB-CG1 4.16Å; F323-V423 HydrophobicContact CD1-CG1 4.47Å; F323-V423 HydrophobicContact CD2-CG1 4.03Å; F323-V423 HydrophobicContact CD2-CG2 4.49Å; F323-V423 HydrophobicContact CE2-CG2 4.31Å; F323-V423 HydrophobicContact CG-CG1 3.97Å; A364-V423 HydrophobicContact CB-CG2 3.7Å; L365-V423 HydrophobicContact CD2-CG2 4.18Å; Q417-V423 HydrophobicContact CG-CG2 4.42Å; V423-R425 HydrophobicContact CG1-CG 4.21Å; V423-T444 WeakPolarHBondContact CB-OG1 3.34Å; V423-T444 PolarHBondContact N-O 3.23Å; V423-T444 PolarHBondContact O-N 2.67Å; V423-T444 PolarHBondContact O-OG1 2.89Å
424C98.3Very high97.6Very high3 Ų320.2 Ų20.22%0.0214%0.141CC..EExtended strand (participates in β ladder)trans-94.5133.9176.6-63.20000111P322 L457 F478P322-C424 HydrophobicContact CB-CB 4.48Å; C424-L457 HydrophobicContact CB-CD1 4.04Å; C424-F478 VanDerWaalsContact SG-CE2 3.55Å
425R97.4Very high97.5Very high32 Ų3222.4 Ų22.412%0.12115%0.152CC..EExtended strand (participates in β ladder)trans-133.7150.3-179.1-56.2176.3-164.6179.2-0.8109.5C319 F320 V423 L441 D442C319-R425 CarbonylContact O-C 3.12Å; C319-R425 WeakPolarHBondContact O-CA 3.49Å; C319-R425 WeakPolarHBondContact O-CB 3.45Å; F320-R425 HydrophobicContact CD1-CG 3.94Å; F320-R425 HydrophobicContact CE1-CG 3.94Å; F320-R425 VanDerWaalsContact CE1-CZ 3.45Å; F320-R425 VanDerWaalsContact CZ-CZ 3.42Å; V423-R425 HydrophobicContact CG1-CG 4.21Å; R425-L441 CarbonylContact O-C 3.43Å; R425-L441 VanDerWaalsContact O-CA 3.24Å; R425-L441 WeakPolarHBondContact O-CA 3.49Å; R425-D442 PolarHBondContact N-O 3.01Å; R425-D442 PolarHBondContact O-N 3.4Å
426S97.2Very high97.4Very high7 Ų722.2 Ų22.25%0.04915%0.15CC..EExtended strand (participates in β ladder)trans-75.5142.3166.9-63.70000109.6C319 P322 Y436C319-S426 PolarHBondContact O-N 2.99Å; P322-S426 WeakPolarHBondContact CG-OG 3.37Å; S426-Y436 PolarHBondContact OG-O 3.12Å
427T94.4Very high97.3Very high44 Ų4425.2 Ų25.227%0.2717%0.165SC..  trans-116.9133.9174.1175.70000110.9P440 D442 Q503T427-P440 HydrophobicContact CG2-CB 4Å; T427-P440 VanDerWaalsContact CG2-O 3.29Å; T427-P440 WeakPolarHBondContact CG2-O 3.4Å; T427-P440 PolarHBondContact N-O 2.49Å; T427-D442 HydrophobicContact CG2-CB 4.37Å; T427-Q503 HydrophobicContact CG2-CB 4.42Å
428G93.5Very high97.1Very high49 Ų4932.6 Ų32.651%0.50520%0.196SC..SBendtrans119.1-160-175.900000112
429S94Very high97Very high99 Ų9932 Ų3269%0.69220%0.196SC*.  trans-134.2141.5-179.262.20000110.9
430G96.1Very high96.9Very high18 Ų1833.4 Ų33.419%0.18621%0.205CC..  trans-144.6-179.8173.300000111Y436G430-Y436 VanDerWaalsContact N-CE2 3.34Å
431T97.7Very high96.9Very high54 Ų5432.4 Ų32.433%0.33119%0.194SC..SBendtrans-109.1-15.5-175.565.60000114.4P35 Y36 R74 D435P35-T431 VanDerWaalsContact CA-O 3.27Å; P35-T431 WeakPolarHBondContact CA-O 3.47Å; Y36-T431 PolarHBondContact N-O 2.69Å; R74-T431 PolarHBondContact NH2-O 2.96Å; R74-T431 VanDerWaalsContact NH2-O 3.13Å; T431-D435 WeakPolarHBondContact CB-OD2 3.42Å; T431-D435 PolarHBondContact N-OD2 3.13Å; T431-D435 PolarHBondContact OG1-OD2 2.88Å
432C98.5Very high96.8Very high0 Ų033.1 Ų33.10%020%0.198CC..SBendtrans-160.7175.8178.563.80000110.2Y36 K72 R74 A434 D435 Y436Y36-C432 WeakPolarHBondContact O-CB 3.4Å; K72-C432 PolarHBondContact O-SG 2.82Å; K72-C432 VanDerWaalsContact O-SG 3.4Å; R74-C432 HydrophobicContact CG-CB 4.32Å; C432-A434 PolarHBondContact O-N 3.4Å; C432-D435 PolarHBondContact O-N 2.98Å; C432-Y436 WeakPolarHBondContact O-CD2 3.48Å; C432-Y436 PolarHBondContact O-N 3.41Å
433T98.3Very high96.8Very high5 Ų532.9 Ų32.93%0.03120%0.196CC..Hα-helixtrans-62.9-30.5-17666.40000112.9L4 F5 D37 Y318 L321 D435 Y436 Q437L4-T433 HydrophobicContact CG-CG2 4.42Å; F5-T433 VanDerWaalsContact CA-OG1 3.32Å; F5-T433 WeakPolarHBondContact CA-OG1 3.24Å; D37-T433 PolarHBondContact OD1-N 2.92Å; D37-T433 PolarHBondContact OD1-OG1 3.27Å; D37-T433 WeakPolarHBondContact OD2-CG2 3.25Å; D37-T433 PolarHBondContact OD2-N 2.99Å; Y318-T433 HydrophobicContact CD1-CG2 4.46Å; Y318-T433 HydrophobicContact CE1-CG2 3.9Å; L321-T433 HydrophobicContact CD1-CG2 3.49Å; L321-T433 VanDerWaalsContact CD1-CG2 3.49Å; L321-T433 HydrophobicContact CD2-CG2 4.34Å; T433-D435 VanDerWaalsContact C-N 3.26Å; T433-D435 PolarHBondContact O-N 2.89Å; T433-Y436 PolarHBondContact O-N 2.91Å; T433-Y436 VanDerWaalsContact O-N 3.17Å; T433-Q437 PolarHBondContact O-N 3Å
434A97.3Very high96.8Very high18 Ų1833.3 Ų33.315%0.14920%0.199CC..Hα-helixtrans-65.6-27.7-179.800000113.2K73 C432K73-A434 HydrophobicContact CB-CB 3.64Å; K73-A434 HydrophobicContact CG-CB 4.02Å; C432-A434 PolarHBondContact O-N 3.4Å
435D96.8Very high96.8Very high50 Ų5033.2 Ų33.227%0.26720%0.198SC..Hα-helixtrans-74.9-46.9171.1-64.8-24.4000110T431 C432 T433 Q437 K438 L439T431-D435 WeakPolarHBondContact CB-OD2 3.42Å; T431-D435 PolarHBondContact N-OD2 3.13Å; T431-D435 PolarHBondContact OG1-OD2 2.88Å; C432-D435 PolarHBondContact O-N 2.98Å; T433-D435 VanDerWaalsContact C-N 3.26Å; T433-D435 PolarHBondContact O-N 2.89Å; D435-Q437 VanDerWaalsContact C-N 3.27Å; D435-Q437 PolarHBondContact O-N 3.15Å; D435-K438 PolarHBondContact O-N 3.17Å; D435-L439 PolarHBondContact O-N 3.01Å
436Y96.9Very high96.9Very high5 Ų531.7 Ų31.72%0.0219%0.192CC..Hα-helixtrans-63.2-30.1-179.1-83.7-98.8000113.4P35 Y318 S426 G430 C432 T433 K438 L439P35-Y436 HydrophobicContact CB-CE2 4.22Å; P35-Y436 HydrophobicContact CG-CE2 4.4Å; Y318-Y436 VanDerWaalsContact CB-CZ 3.41Å; Y318-Y436 AromaticContact CD1-CD2 3.5Å; Y318-Y436 HydrophobicContact CD1-CD2 3.5Å; Y318-Y436 AromaticContact CD1-CE2 3.62Å; Y318-Y436 HydrophobicContact CD1-CE2 3.62Å; Y318-Y436 HydrophobicContact CD1-CG 4.02Å; Y318-Y436 HydrophobicContact CE1-CD2 4.42Å; Y318-Y436 HydrophobicContact CG-CD2 4.17Å; Y318-Y436 AromaticContact CG-CE2 3.89Å; Y318-Y436 HydrophobicContact CG-CE2 3.89Å; S426-Y436 PolarHBondContact OG-O 3.12Å; G430-Y436 VanDerWaalsContact N-CE2 3.34Å; C432-Y436 WeakPolarHBondContact O-CD2 3.48Å; C432-Y436 PolarHBondContact O-N 3.41Å; T433-Y436 PolarHBondContact O-N 2.91Å; T433-Y436 VanDerWaalsContact O-N 3.17Å; Y436-K438 PolarHBondContact O-N 3.24Å; Y436-L439 HydrophobicContact CD1-CD1 3.66Å; Y436-L439 HydrophobicContact CD2-CD1 4.48Å; Y436-L439 HydrophobicContact CE1-CD1 3.94Å; Y436-L439 HydrophobicContact CG-CD1 3.95Å; Y436-L439 PolarHBondContact O-N 2.86Å
437Q94.8Very high96.9Very high64 Ų6431.7 Ų31.730%0.29919%0.192SC..THydrogen-bonded Turntrans-60.2-24.7171.7-86.4-176-43.500113.4L4 T433 D435 D461 N500L4-Q437 HydrophobicContact CD2-CG 3.14Å; T433-Q437 PolarHBondContact O-N 3Å; D435-Q437 VanDerWaalsContact C-N 3.27Å; D435-Q437 PolarHBondContact O-N 3.15Å; Q437-D461 PolarHBondContact NE2-O 2.88Å; Q437-N500 VanDerWaalsContact O-CG 3.28Å; Q437-N500 PolarHBondContact O-ND2 2.96Å; Q437-N500 PolarHBondContact O-OD1 2.84Å
438K94.9Very high97.1Very high154 Ų15431.3 Ų31.367%0.6719%0.188SC*.THydrogen-bonded Turntrans-98.9-8.4-179.2-58.9172.9-173.9172.80112.3D435 Y436D435-K438 PolarHBondContact O-N 3.17Å; Y436-K438 PolarHBondContact O-N 3.24Å
439L96.6Very high97.2Very high30 Ų3032 Ų3216%0.15719%0.185CC..SBendtrans-71.2147.5179.5-68.9-178.2000110.3D435 Y436D435-L439 PolarHBondContact O-N 3.01Å; Y436-L439 HydrophobicContact CD1-CD1 3.66Å; Y436-L439 HydrophobicContact CD2-CD1 4.48Å; Y436-L439 HydrophobicContact CE1-CD1 3.94Å; Y436-L439 HydrophobicContact CG-CD1 3.95Å; Y436-L439 PolarHBondContact O-N 2.86Å
440P97.6Very high97.3Very high34 Ų3433.7 Ų33.722%0.22118%0.182CC..PPolyproline II helixtrans-59.4160.4170.8-20.933000112.1T427 V501 Q503T427-P440 HydrophobicContact CG2-CB 4Å; T427-P440 VanDerWaalsContact CG2-O 3.29Å; T427-P440 WeakPolarHBondContact CG2-O 3.4Å; T427-P440 PolarHBondContact N-O 2.49Å; P440-V501 CarbonylContact C-O 3.56Å; P440-V501 WeakPolarHBondContact CA-O 3.47Å; P440-V501 HydrophobicContact CB-CG2 4.03Å; P440-V501 HydrophobicContact CG-CG2 4.38Å; P440-Q503 HydrophobicContact CB-CB 3.64Å; P440-Q503 VanDerWaalsContact CB-OE1 3.32Å
441L98.2Very high97.3Very high1 Ų135 Ų351%0.00519%0.191CC..EExtended strand (participates in β ladder)trans-99.8139.9179.2-58.6174.8000111.4P322 R425 L457 V501 V502 Q503 S504 A549P322-L441 HydrophobicContact CB-CD2 4.28Å; P322-L441 HydrophobicContact CG-CD2 3.83Å; R425-L441 CarbonylContact O-C 3.43Å; R425-L441 VanDerWaalsContact O-CA 3.24Å; R425-L441 WeakPolarHBondContact O-CA 3.49Å; L441-L457 HydrophobicContact CD1-CD2 3.52Å; L441-V501 PolarHBondContact N-O 2.82Å; L441-V502 HydrophobicContact CB-CG2 4.25Å; L441-V502 HydrophobicContact CD1-CG2 4.43Å; L441-Q503 PolarHBondContact O-N 3.34Å; L441-S504 PolarHBondContact O-N 3.3Å; L441-A549 HydrophobicContact CD1-CB 3.9Å
442D97.7Very high97.3Very high24 Ų2434.2 Ų34.213%0.12819%0.188CC..EExtended strand (participates in β ladder)trans-105.2127.2161.9-179.262.2000108.7R425 T427 S504R425-D442 PolarHBondContact N-O 3.01Å; R425-D442 PolarHBondContact O-N 3.4Å; T427-D442 HydrophobicContact CG2-CB 4.37Å; D442-S504 WeakPolarHBondContact CA-O 3.35Å; D442-S504 VanDerWaalsContact OD1-CB 3.32Å; D442-S504 WeakPolarHBondContact OD1-CB 3.48Å; D442-S504 PolarHBondContact OD1-OG 3.44Å
443V98.5Very high97.3Very high0 Ų034.5 Ų34.50%019%0.19CC..EExtended strand (participates in β ladder)trans-108.8123.3-179178.30000109.4V422 V445 F478 V502 S504 V505 S506V422-V443 HydrophobicContact CG1-CG1 3.4Å; V422-V443 VanDerWaalsContact CG1-CG1 3.4Å; V443-V445 HydrophobicContact CG1-CG2 4.31Å; V443-F478 HydrophobicContact CG1-CD1 4.21Å; V443-F478 HydrophobicContact CG1-CE1 4.22Å; V443-F478 HydrophobicContact CG2-CE1 4.04Å; V443-F478 HydrophobicContact CG2-CZ 4.23Å; V443-V502 HydrophobicContact CB-CG1 4.44Å; V443-V502 HydrophobicContact CG2-CG1 3.72Å; V443-V502 HydrophobicContact CG2-CG2 4.11Å; V443-S504 PolarHBondContact N-O 2.56Å; V443-V505 HydrophobicContact CB-CG2 4.15Å; V443-V505 CarbonylContact O-C 3.45Å; V443-V505 VanDerWaalsContact O-CA 3.31Å; V443-V505 WeakPolarHBondContact O-CA 3.39Å; V443-S506 PolarHBondContact O-N 2.7Å
444T98.4Very high97.3Very high9 Ų936.8 Ų36.86%0.05520%0.202CC..EExtended strand (participates in β ladder)trans-107.6121.6178.650.90000110.5Q417 V422 V423 S506Q417-T444 PolarHBondContact NE2-O 3.22Å; Q417-T444 VanDerWaalsContact NE2-O 3.07Å; Q417-T444 PolarHBondContact OE1-OG1 2.88Å; V422-T444 CarbonylContact C-O 3.51Å; V422-T444 WeakPolarHBondContact CA-O 3.37Å; V423-T444 WeakPolarHBondContact CB-OG1 3.34Å; V423-T444 PolarHBondContact N-O 3.23Å; V423-T444 PolarHBondContact O-N 2.67Å; V423-T444 PolarHBondContact O-OG1 2.89Å; T444-S506 CarbonylContact C-O 3.57Å; T444-S506 WeakPolarHBondContact CA-O 3.39Å
445V98.8Very high97.4Very high0 Ų036.5 Ų36.50%020%0.201CC..EExtended strand (participates in β ladder)trans-111.6111.8-179.2-176.80000108.3V422 V443 L447 A453 M480 L485 V505 S506 I507 M508V422-V445 HydrophobicContact CG1-CG2 4.2Å; V422-V445 HydrophobicContact CG2-CG1 4.21Å; V422-V445 HydrophobicContact CG2-CG2 4.13Å; V443-V445 HydrophobicContact CG1-CG2 4.31Å; V445-L447 HydrophobicContact CG1-CD2 4.15Å; V445-A453 HydrophobicContact CG1-CB 3.71Å; V445-M480 HydrophobicContact CG1-CB 4.03Å; V445-M480 HydrophobicContact CG1-CG 4.08Å; V445-L485 HydrophobicContact CG2-CD1 4.22Å; V445-L485 HydrophobicContact CG2-CD2 4.01Å; V445-V505 HydrophobicContact CG2-CG1 4.37Å; V445-S506 PolarHBondContact N-O 3.19Å; V445-I507 HydrophobicContact CB-CB 4.34Å; V445-I507 HydrophobicContact CB-CG1 4.08Å; V445-I507 HydrophobicContact CB-CG2 4.14Å; V445-I507 HydrophobicContact CG1-CG2 4.14Å; V445-I507 HydrophobicContact CG2-CG1 4.23Å; V445-I507 CarbonylContact O-C 3.52Å; V445-I507 WeakPolarHBondContact O-CA 3.29Å; V445-M508 PolarHBondContact O-N 3.08Å
446G98.4Very high97.5Very high0 Ų036.5 Ų36.50%020%0.199CC..EExtended strand (participates in β ladder)trans-95.1112.1172.500000109.9G419 G420 S421G419-G446 CarbonylContact C-O 3.44Å; G419-G446 WeakPolarHBondContact CA-O 3.42Å; G420-G446 PolarHBondContact N-O 3.27Å; S421-G446 PolarHBondContact N-O 3.13Å; S421-G446 PolarHBondContact O-N 3.37Å
447L98.5Very high97.6Very high8 Ų836.2 Ų36.24%0.04220%0.198CC..  trans-73.1136179.6-63-179.5000111.3Y390 V445 A451 M480 I507 M508 V510Y390-L447 VanDerWaalsContact CE2-O 3.29Å; Y390-L447 WeakPolarHBondContact CE2-O 3.33Å; Y390-L447 PolarHBondContact OH-O 2.71Å; V445-L447 HydrophobicContact CG1-CD2 4.15Å; L447-A451 HydrophobicContact CD1-CB 4.5Å; L447-M480 HydrophobicContact CD2-CE 4Å; L447-M480 HydrophobicContact CD2-CG 3.51Å; L447-I507 HydrophobicContact CD1-CG2 4.01Å; L447-I507 HydrophobicContact CD2-CG2 4.13Å; L447-I507 HydrophobicContact CG-CG2 3.94Å; L447-M508 WeakPolarHBondContact CB-O 3.41Å; L447-M508 VanDerWaalsContact CG-O 3.25Å; L447-M508 WeakPolarHBondContact CG-O 3.29Å; L447-M508 PolarHBondContact N-O 3.38Å; L447-V510 HydrophobicContact CD1-CG2 4.12Å
448N97.7Very high97.7Very high35 Ų3533.2 Ų33.219%0.18718%0.184CC..  trans-80-174.3166.863.418.5000111.5Q450 A451 S452N448-Q450 PolarHBondContact O-N 2.75Å; N448-Q450 WeakPolarHBondContact OD1-CA 3.1Å; N448-Q450 PolarHBondContact OD1-N 3.16Å; N448-Q450 PolarHBondContact OD1-OE1 3.02Å; N448-A451 PolarHBondContact O-N 2.99Å; N448-A451 PolarHBondContact OD1-N 2.97Å; N448-A451 VanDerWaalsContact OD1-N 3.15Å; N448-S452 VanDerWaalsContact CG-O 3.25Å; N448-S452 PolarHBondContact N-O 3.16Å; N448-S452 PolarHBondContact ND2-O 3Å; N448-S452 PolarHBondContact ND2-OG 3.4Å; N448-S452 PolarHBondContact OD1-N 2.84Å; N448-S452 PolarHBondContact OD1-O 2.7Å; N448-S452 PolarHBondContact OD1-OG 3.05Å
449S95.2Very high97.9Very high64 Ų6427 Ų2745%0.44816%0.158SC..THydrogen-bonded Turntrans-59.3-25.5177.546.50000114.7A451S449-A451 VanDerWaalsContact C-N 3.3Å
450Q96Very high98Very high135 Ų13526 Ų2663%0.63115%0.153SC*.THydrogen-bonded Turntrans-90.67.4178.1-62.975.410.100112.2N448 S452N448-Q450 PolarHBondContact O-N 2.75Å; N448-Q450 WeakPolarHBondContact OD1-CA 3.1Å; N448-Q450 PolarHBondContact OD1-N 3.16Å; N448-Q450 PolarHBondContact OD1-OE1 3.02Å; Q450-S452 PolarHBondContact O-N 3.04Å
451A96.3Very high98Very high45 Ų4526 Ų2637%0.37215%0.151SC..SBendtrans55.734.6-17500000113.4L447 N448 S449L447-A451 HydrophobicContact CD1-CB 4.5Å; N448-A451 PolarHBondContact O-N 2.99Å; N448-A451 PolarHBondContact OD1-N 2.97Å; N448-A451 VanDerWaalsContact OD1-N 3.15Å; S449-A451 VanDerWaalsContact C-N 3.3Å
452S98.2Very high98Very high38 Ų3826.2 Ų26.227%0.26615%0.153SC..  trans-116.3160.1174.365.20000112.3G420 N448 Q450 M480G420-S452 WeakPolarHBondContact CA-O 3.38Å; N448-S452 VanDerWaalsContact CG-O 3.25Å; N448-S452 PolarHBondContact N-O 3.16Å; N448-S452 PolarHBondContact ND2-O 3Å; N448-S452 PolarHBondContact ND2-OG 3.4Å; N448-S452 PolarHBondContact OD1-N 2.84Å; N448-S452 PolarHBondContact OD1-O 2.7Å; N448-S452 PolarHBondContact OD1-OG 3.05Å; Q450-S452 PolarHBondContact O-N 3.04Å; S452-M480 WeakPolarHBondContact CA-O 3.38Å; S452-M480 VanDerWaalsContact CB-O 3.26Å; S452-M480 WeakPolarHBondContact CB-O 3.39Å
453A98.7Very high98Very high6 Ų628.8 Ų28.85%0.0516%0.164CC..EExtended strand (participates in β ladder)trans-159152.5171.600000111.5G420 V422 V445 M480G420-A453 VanDerWaalsContact C-CA 3.44Å; G420-A453 CarbonylContact O-C 3.38Å; G420-A453 VanDerWaalsContact O-CA 3.28Å; G420-A453 WeakPolarHBondContact O-CA 3.31Å; V422-A453 HydrophobicContact CG2-CB 4Å; V445-A453 HydrophobicContact CG1-CB 3.71Å; A453-M480 HydrophobicContact CB-CB 4.06Å; A453-M480 PolarHBondContact N-O 2.86Å; A453-M480 VanDerWaalsContact N-O 3.07Å; A453-M480 PolarHBondContact O-N 2.81Å
454D98.6Very high98Very high52 Ų5229 Ų2928%0.27817%0.166SC..EExtended strand (participates in β ladder)trans-140.4154.6176.4-158.2-92.6000111.2G420 S421 V422 R477 F478 S479G420-D454 PolarHBondContact O-N 2.76Å; S421-D454 CarbonylContact C-O 3.57Å; S421-D454 WeakPolarHBondContact CA-O 3.22Å; V422-D454 PolarHBondContact N-O 2.82Å; D454-R477 VanDerWaalsContact CG-NH2 3.3Å; D454-R477 IonicContact OD1-CZ 2.7Å; D454-R477 IonicContact OD1-NE 3.72Å; D454-R477 PolarHBondContact OD1-NE 2.89Å; D454-R477 IonicContact OD1-NH2 3.88Å; D454-R477 PolarHBondContact OD1-NH2 3.34Å; D454-R477 IonicContact OD2-CZ 3.45Å; D454-R477 IonicContact OD2-NE 3.78Å; D454-R477 PolarHBondContact OD2-NE 2.81Å; D454-R477 IonicContact OD2-NH2 3.38Å; D454-R477 PolarHBondContact OD2-NH2 3.34Å; D454-F478 CarbonylContact C-O 3.46Å; D454-F478 VanDerWaalsContact CA-O 3.27Å; D454-F478 WeakPolarHBondContact CA-O 3.21Å; D454-S479 PolarHBondContact OD2-OG 3.3Å
455G98.5Very high98Very high12 Ų1229.8 Ų29.812%0.12417%0.168CC..EExtended strand (participates in β ladder)trans-178.6166.7174.500000111.5F478G455-F478 PolarHBondContact N-O 3.3Å; G455-F478 PolarHBondContact O-N 2.85Å
456E98.5Very high98Very high50 Ų5033.2 Ų33.223%0.23418%0.184CC..EExtended strand (participates in β ladder)trans-128.3163.5-177.1-57.7-170.6159.600112T326 F330 L475 R476 R477T326-E456 HydrophobicContact CG2-CB 4.39Å; F330-E456 WeakPolarHBondContact CE1-OE2 3.47Å; F330-E456 HydrophobicContact CZ-CB 4.03Å; F330-E456 HydrophobicContact CZ-CG 4.38Å; F330-E456 WeakPolarHBondContact CZ-OE2 3.47Å; E456-L475 HydrophobicContact CB-CD1 4.34Å; E456-R476 CarbonylContact C-O 3.48Å; E456-R476 WeakPolarHBondContact CA-O 3.24Å; E456-R477 HydrophobicContact CG-CB 4.4Å; E456-R477 HydrophobicContact CG-CG 4.38Å
457L98.7Very high98Very high0 Ų034.2 Ų34.20%019%0.188CC..EExtended strand (participates in β ladder)trans-137.8121.4174.717366.9000109.2P322 C424 L441 L459 R476 F478P322-L457 HydrophobicContact CB-CD1 3.87Å; C424-L457 HydrophobicContact CB-CD1 4.04Å; L441-L457 HydrophobicContact CD1-CD2 3.52Å; L457-L459 HydrophobicContact CD1-CD2 4.08Å; L457-L459 HydrophobicContact CD2-CD1 4.11Å; L457-L459 HydrophobicContact CD2-CD2 4.32Å; L457-L459 HydrophobicContact CD2-CG 4.27Å; L457-L459 HydrophobicContact CG-CD1 4.41Å; L457-L459 HydrophobicContact CG-CD2 4.14Å; L457-L459 HydrophobicContact CG-CG 4.06Å; L457-R476 HydrophobicContact CB-CB 4.36Å; L457-R476 PolarHBondContact N-O 2.99Å; L457-R476 PolarHBondContact O-N 3.33Å; L457-F478 HydrophobicContact CB-CE2 3.88Å; L457-F478 HydrophobicContact CD2-CE2 4.45Å
458Y98.7Very high97.9Very high1 Ų139.6 Ų39.60%0.00421%0.208CC..EExtended strand (participates in β ladder)trans-99.9133.4173.2179.8-97.2000111.2M1 Y325 T326 H329 D460 Y467 F473 L475M1-Y458 HydrophobicContact CE-CD1 4.41Å; M1-Y458 HydrophobicContact CE-CE1 4.31Å; Y325-Y458 AromaticContact CD1-CD1 3.85Å; Y325-Y458 HydrophobicContact CD1-CD1 3.85Å; Y325-Y458 HydrophobicContact CD1-CE1 4.39Å; Y325-Y458 AromaticContact CE1-CD1 3.64Å; Y325-Y458 HydrophobicContact CE1-CD1 3.64Å; Y325-Y458 AromaticContact CE1-CE1 3.73Å; Y325-Y458 HydrophobicContact CE1-CE1 3.73Å; T326-Y458 PolarHBondContact OG1-N 3.31Å; H329-Y458 HydrophobicContact CB-CD1 3.94Å; H329-Y458 HydrophobicContact CB-CD2 4.04Å; H329-Y458 HydrophobicContact CB-CE1 4.48Å; H329-Y458 HydrophobicContact CB-CG 3.68Å; H329-Y458 AromaticContact CD2-CD2 3.95Å; H329-Y458 AromaticContact CE1-CD2 3.64Å; H329-Y458 AromaticContact CE1-CE2 3.62Å; H329-Y458 AromaticContact CG-CD2 3.5Å; H329-Y458 VanDerWaalsContact CG-CD2 3.5Å; H329-Y458 AromaticContact CG-CE2 3.95Å; H329-Y458 AromaticContact CG-CG 3.68Å; H329-Y458 AromaticContact ND1-CD2 3.3Å; H329-Y458 VanDerWaalsContact ND1-CD2 3.3Å; H329-Y458 WeakPolarHBondContact ND1-CD2 3.5Å; H329-Y458 AromaticContact ND1-CE2 3.27Å; H329-Y458 VanDerWaalsContact ND1-CE2 3.27Å; H329-Y458 WeakPolarHBondContact ND1-CE2 3.21Å; H329-Y458 AromaticContact ND1-CG 3.87Å; H329-Y458 AromaticContact ND1-CZ 3.83Å; Y458-D460 HydrophobicContact CE1-CB 4.19Å; Y458-Y467 VanDerWaalsContact OH-CB 3.28Å; Y458-Y467 WeakPolarHBondContact OH-CB 3.28Å; Y458-Y467 WeakPolarHBondContact OH-CD2 3.38Å; Y458-F473 HydrophobicContact CD2-CD2 4.36Å; Y458-F473 HydrophobicContact CE2-CB 3.59Å; Y458-F473 AromaticContact CE2-CD2 3.77Å; Y458-F473 HydrophobicContact CE2-CD2 3.77Å; Y458-F473 AromaticContact CE2-CG 3.86Å; Y458-F473 HydrophobicContact CE2-CG 3.86Å; Y458-L475 HydrophobicContact CD2-CD1 4.28Å
459L98.5Very high97.9Very high23 Ų2342.5 Ų42.512%0.1222%0.224CC..EExtended strand (participates in β ladder)trans-134.2136.8178.3-57.2170.2000110.5L457 F473 S474 F496 A549 T550L457-L459 HydrophobicContact CD1-CD2 4.08Å; L457-L459 HydrophobicContact CD2-CD1 4.11Å; L457-L459 HydrophobicContact CD2-CD2 4.32Å; L457-L459 HydrophobicContact CD2-CG 4.27Å; L457-L459 HydrophobicContact CG-CD1 4.41Å; L457-L459 HydrophobicContact CG-CD2 4.14Å; L457-L459 HydrophobicContact CG-CG 4.06Å; L459-F473 CarbonylContact O-C 3.59Å; L459-F473 WeakPolarHBondContact O-CA 3.49Å; L459-F473 WeakPolarHBondContact O-CB 3.24Å; L459-S474 PolarHBondContact N-O 3.21Å; L459-S474 PolarHBondContact O-N 3.31Å; L459-F496 HydrophobicContact CB-CD1 4.05Å; L459-F496 HydrophobicContact CB-CE1 4.07Å; L459-A549 HydrophobicContact CD1-CB 4.26Å; L459-T550 HydrophobicContact CD1-CG2 4.14Å
460D98.4Very high98Very high8 Ų845.7 Ų45.74%0.04323%0.23CC..SBendtrans-151.1-168.8167.172.1-11.6000108.3R209 Y325 Y458 G462 A472 F473 F496R209-D460 IonicContact CZ-OD2 3.6Å; R209-D460 IonicContact NH1-OD2 3.27Å; R209-D460 PolarHBondContact NH1-OD2 2.99Å; R209-D460 IonicContact NH2-OD2 4Å; Y325-D460 WeakPolarHBondContact CE1-OD1 3.49Å; Y325-D460 PolarHBondContact OH-OD1 3.17Å; Y325-D460 PolarHBondContact OH-OD2 2.99Å; Y325-D460 VanDerWaalsContact OH-OD2 3.04Å; Y458-D460 HydrophobicContact CE1-CB 4.19Å; D460-G462 PolarHBondContact O-N 2.93Å; D460-G462 VanDerWaalsContact OD1-CA 3.3Å; D460-G462 WeakPolarHBondContact OD1-CA 3.47Å; D460-G462 PolarHBondContact OD1-N 3.45Å; D460-A472 WeakPolarHBondContact CB-O 3.24Å; D460-F473 HydrophobicContact CB-CB 4.24Å; D460-F496 VanDerWaalsContact C-CE2 3.5Å; D460-F496 VanDerWaalsContact O-CZ 3.31Å; D460-F496 WeakPolarHBondContact O-CZ 3.07Å
461D97.7Very high98.1Very high36 Ų3643.5 Ų43.519%0.19322%0.218CC..  trans-67.2-11.817664.625.8000114.5Q437 H463 S464 F496Q437-D461 PolarHBondContact NE2-O 2.88Å; D461-H463 PolarHBondContact O-CD2 2.95Å; D461-H463 IonicContact OD1-CD2 3.16Å; D461-H463 IonicContact OD1-CG 2.67Å; D461-H463 PolarHBondContact OD1-N 3.08Å; D461-S464 PolarHBondContact OD1-N 3.18Å; D461-S464 PolarHBondContact OD1-OG 3.37Å; D461-S464 WeakPolarHBondContact OD2-CB 3.37Å; D461-S464 PolarHBondContact OD2-OG 3.05Å; D461-F496 HydrophobicContact CB-CE2 4.46Å
462G98.2Very high98.2Very high4 Ų442 Ų424%0.04121%0.206CC..SBendtrans81.51.5178.200000115.8P3 L4 R209 Y325 D460P3-G462 CarbonylContact C-O 3.49Å; P3-G462 WeakPolarHBondContact CA-O 3.33Å; L4-G462 PolarHBondContact N-O 3.23Å; R209-G462 PolarHBondContact NH2-O 2.69Å; R209-G462 VanDerWaalsContact NH2-O 3.12Å; Y325-G462 WeakPolarHBondContact OH-CA 3.45Å; D460-G462 PolarHBondContact O-N 2.93Å; D460-G462 VanDerWaalsContact OD1-CA 3.3Å; D460-G462 WeakPolarHBondContact OD1-CA 3.47Å; D460-G462 PolarHBondContact OD1-N 3.45Å
463H98.3Very high98.2Very high78 Ų7841.2 Ų41.236%0.36120%0.197SC..SBendtrans-146.3-31.6-174.868.890.2000115.7E208 R209 D461E208-H463 VanDerWaalsContact CD-ND1 3.31Å; E208-H463 IonicContact OE1-CE1 3.23Å; E208-H463 PolarHBondContact OE1-CE1 3.47Å; E208-H463 IonicContact OE1-ND1 2.76Å; E208-H463 PolarHBondContact OE1-ND1 3.12Å; E208-H463 VanDerWaalsContact OE1-ND1 3.16Å; E208-H463 IonicContact OE2-CE1 2.75Å; E208-H463 IonicContact OE2-CG 2.71Å; E208-H463 IonicContact OE2-ND1 3.01Å; E208-H463 PolarHBondContact OE2-ND1 3.36Å; R209-H463 VanDerWaalsContact CB-O 3.26Å; R209-H463 WeakPolarHBondContact CB-O 3.24Å; R209-H463 WeakPolarHBondContact CG-O 3.32Å; R209-H463 PolarHBondContact N-O 2.97Å; D461-H463 PolarHBondContact O-CD2 2.95Å; D461-H463 IonicContact OD1-CD2 3.16Å; D461-H463 IonicContact OD1-CG 2.67Å; D461-H463 PolarHBondContact OD1-N 3.08Å
464S98.6Very high98.2Very high5 Ų541.3 Ų41.34%0.03520%0.198CC..BIsolated β-bridgetrans-95.2173.8-170.488.30000112.8S207 R209 D461 E466 Y467S207-S464 CarbonylContact O-C 3.31Å; S207-S464 WeakPolarHBondContact O-CA 3.4Å; S207-S464 VanDerWaalsContact O-CB 3.31Å; S207-S464 WeakPolarHBondContact O-CB 3.49Å; R209-S464 WeakPolarHBondContact CD-O 3.23Å; R209-S464 PolarHBondContact NH1-O 3.33Å; D461-S464 PolarHBondContact OD1-N 3.18Å; D461-S464 PolarHBondContact OD1-OG 3.37Å; D461-S464 WeakPolarHBondContact OD2-CB 3.37Å; D461-S464 PolarHBondContact OD2-OG 3.05Å; S464-E466 VanDerWaalsContact C-N 3.27Å; S464-E466 VanDerWaalsContact OG-CB 3.24Å; S464-E466 WeakPolarHBondContact OG-CB 3.38Å; S464-E466 VanDerWaalsContact OG-CG 3.24Å; S464-E466 WeakPolarHBondContact OG-CG 3.39Å; S464-E466 PolarHBondContact OG-N 3.46Å; S464-Y467 WeakPolarHBondContact O-CD1 3.43Å
465F98.6Very high98.2Very high25 Ų2539.6 Ų39.611%0.1119%0.189CC..SBendtrans-84.48.6167.8-73.9-69.3000113.8T201 G206 S207 E208 R209 Y467 R468 D469T201-F465 HydrophobicContact CG2-CE2 3.85Å; G206-F465 WeakPolarHBondContact O-CD2 3.44Å; S207-F465 PolarHBondContact O-N 3.01Å; E208-F465 VanDerWaalsContact O-CE2 3.25Å; E208-F465 WeakPolarHBondContact O-CE2 3.43Å; R209-F465 HydrophobicContact CB-CE2 4.46Å; R209-F465 HydrophobicContact CB-CZ 4.31Å; R209-F465 HydrophobicContact CG-CD1 3.9Å; R209-F465 HydrophobicContact CG-CD2 4.16Å; R209-F465 HydrophobicContact CG-CE1 3.79Å; R209-F465 HydrophobicContact CG-CE2 4.06Å; R209-F465 HydrophobicContact CG-CG 4.1Å; R209-F465 HydrophobicContact CG-CZ 3.88Å; F465-Y467 HydrophobicContact CD1-CE1 4.04Å; F465-Y467 PolarHBondContact O-N 2.85Å; F465-R468 VanDerWaalsContact CD1-NH1 3.31Å; F465-R468 WeakPolarHBondContact O-CA 3.15Å; F465-R468 WeakPolarHBondContact O-CB 3.49Å; F465-R468 PolarHBondContact O-N 3.29Å; F465-D469 WeakPolarHBondContact CB-OD2 3.44Å; F465-D469 PolarHBondContact O-N 3.16Å
466E98.5Very high98.2Very high72 Ų7239.4 Ų39.434%0.33618%0.184SC..Hα-helixtrans-61.5-27.9-178.8-70.1-162.916000113.4S464 R468 K470 K471 A472S464-E466 VanDerWaalsContact C-N 3.27Å; S464-E466 VanDerWaalsContact OG-CB 3.24Å; S464-E466 WeakPolarHBondContact OG-CB 3.38Å; S464-E466 VanDerWaalsContact OG-CG 3.24Å; S464-E466 WeakPolarHBondContact OG-CG 3.39Å; S464-E466 PolarHBondContact OG-N 3.46Å; E466-R468 PolarHBondContact O-N 2.59Å; E466-K470 HydrophobicContact CB-CB 4.48Å; E466-K470 HydrophobicContact CB-CD 4.41Å; E466-K470 HydrophobicContact CG-CD 3.99Å; E466-K470 CarbonylContact O-C 3.56Å; E466-K470 WeakPolarHBondContact O-CA 3.38Å; E466-K470 WeakPolarHBondContact O-CB 3.35Å; E466-K470 PolarHBondContact O-N 3.47Å; E466-K470 WeakPolarHBondContact OE1-CE 3.47Å; E466-K470 IonicContact OE1-NZ 2.68Å; E466-K470 PolarHBondContact OE1-NZ 3.21Å; E466-K471 PolarHBondContact O-N 2.71Å; E466-K471 VanDerWaalsContact O-N 3.13Å; E466-A472 HydrophobicContact CB-CB 3.79Å; E466-A472 PolarHBondContact O-N 2.8Å
467Y98.2Very high98.2Very high21 Ų2142.4 Ų42.48%0.08219%0.193CC..Hα-helixtrans-57.5-34.6171.382.8-86.2000112.5M1 H332 Y458 S464 F465 K471 F473M1-Y467 HydrophobicContact CB-CE1 4.24Å; H332-Y467 AromaticContact CD2-CE2 3.88Å; H332-Y467 PolarHBondContact CE1-OH 3.28Å; H332-Y467 AromaticContact NE2-CE2 3.46Å; H332-Y467 WeakPolarHBondContact NE2-CE2 3.48Å; H332-Y467 AromaticContact NE2-CZ 3.61Å; H332-Y467 PolarHBondContact NE2-OH 2.99Å; Y458-Y467 VanDerWaalsContact OH-CB 3.28Å; Y458-Y467 WeakPolarHBondContact OH-CB 3.28Å; Y458-Y467 WeakPolarHBondContact OH-CD2 3.38Å; S464-Y467 WeakPolarHBondContact O-CD1 3.43Å; F465-Y467 HydrophobicContact CD1-CE1 4.04Å; F465-Y467 PolarHBondContact O-N 2.85Å; Y467-K471 WeakPolarHBondContact O-CA 3.45Å; Y467-F473 WeakPolarHBondContact O-CD1 3.47Å
468R96.6Very high98.2Very high121 Ų12142.4 Ų42.446%0.45719%0.193SC..Hα-helixtrans-85.7-51.6178.6-179.4-168.569.6-156.4-7.6110.6F465 E466F465-R468 VanDerWaalsContact CD1-NH1 3.31Å; F465-R468 WeakPolarHBondContact O-CA 3.15Å; F465-R468 WeakPolarHBondContact O-CB 3.49Å; F465-R468 PolarHBondContact O-N 3.29Å; E466-R468 PolarHBondContact O-N 2.59Å
469D97.3Very high98.2Very high96 Ų9644 Ų4451%0.51320%0.204SC..Hα-helixtrans-82.5-30.6-166.3-62.4-23.5000113F465F465-D469 WeakPolarHBondContact CB-OD2 3.44Å; F465-D469 PolarHBondContact O-N 3.16Å
470K97.6Very high98.2Very high132 Ų13243.2 Ų43.257%0.57420%0.2SC*.SBendtrans-119.61.7-178-60.3-177-175.61710113.3E466 A472E466-K470 HydrophobicContact CB-CB 4.48Å; E466-K470 HydrophobicContact CB-CD 4.41Å; E466-K470 HydrophobicContact CG-CD 3.99Å; E466-K470 CarbonylContact O-C 3.56Å; E466-K470 WeakPolarHBondContact O-CA 3.38Å; E466-K470 WeakPolarHBondContact O-CB 3.35Å; E466-K470 PolarHBondContact O-N 3.47Å; E466-K470 WeakPolarHBondContact OE1-CE 3.47Å; E466-K470 IonicContact OE1-NZ 2.68Å; E466-K470 PolarHBondContact OE1-NZ 3.21Å; K470-A472 HydrophobicContact CB-CB 4.37Å; K470-A472 PolarHBondContact O-N 3.46Å
471K97.8Very high98.1Very high88 Ų8845.3 Ų45.338%0.38322%0.219SC..  trans55.231.3-170.5-53.3-68.4-176.2155.10112E466 Y467 F473 E493 G494 R495E466-K471 PolarHBondContact O-N 2.71Å; E466-K471 VanDerWaalsContact O-N 3.13Å; Y467-K471 WeakPolarHBondContact O-CA 3.45Å; K471-F473 HydrophobicContact CB-CE1 4.17Å; K471-F473 HydrophobicContact CD-CE1 4.07Å; K471-F473 PolarHBondContact O-N 3.2Å; K471-E493 WeakPolarHBondContact CB-O 3.28Å; K471-E493 IonicContact NZ-OE2 2.71Å; K471-E493 PolarHBondContact NZ-OE2 3.28Å; K471-G494 WeakPolarHBondContact O-CA 3.25Å; K471-R495 PolarHBondContact O-N 3.32Å
472A98.1Very high98Very high14 Ų1449.2 Ų49.212%0.11625%0.249CC..  trans-78.864.4178.900000111D460 E466 K470D460-A472 WeakPolarHBondContact CB-O 3.24Å; E466-A472 HydrophobicContact CB-CB 3.79Å; E466-A472 PolarHBondContact O-N 2.8Å; K470-A472 HydrophobicContact CB-CB 4.37Å; K470-A472 PolarHBondContact O-N 3.46Å
473F98.4Very high97.9Very high21 Ų2150 Ų509%0.09226%0.257CS..  trans-137.2167169.168.3-85000111.1Y458 L459 D460 Y467 K471 L475 E493 G494 R495 F496Y458-F473 HydrophobicContact CD2-CD2 4.36Å; Y458-F473 HydrophobicContact CE2-CB 3.59Å; Y458-F473 AromaticContact CE2-CD2 3.77Å; Y458-F473 HydrophobicContact CE2-CD2 3.77Å; Y458-F473 AromaticContact CE2-CG 3.86Å; Y458-F473 HydrophobicContact CE2-CG 3.86Å; L459-F473 CarbonylContact O-C 3.59Å; L459-F473 WeakPolarHBondContact O-CA 3.49Å; L459-F473 WeakPolarHBondContact O-CB 3.24Å; D460-F473 HydrophobicContact CB-CB 4.24Å; Y467-F473 WeakPolarHBondContact O-CD1 3.47Å; K471-F473 HydrophobicContact CB-CE1 4.17Å; K471-F473 HydrophobicContact CD-CE1 4.07Å; K471-F473 PolarHBondContact O-N 3.2Å; F473-L475 HydrophobicContact CD2-CB 4.47Å; F473-L475 HydrophobicContact CE2-CB 4.41Å; F473-E493 HydrophobicContact CZ-CB 4.26Å; F473-G494 CarbonylContact O-C 3.56Å; F473-G494 WeakPolarHBondContact O-CA 3.04Å; F473-R495 PolarHBondContact O-N 2.86Å; F473-R495 VanDerWaalsContact O-N 3.08Å; F473-F496 VanDerWaalsContact CA-CB 3.41Å; F473-F496 WeakPolarHBondContact O-CB 3.36Å; F473-F496 PolarHBondContact O-N 2.79Å
474S98.3Very high97.8Very high8 Ų851 Ų516%0.05626%0.258CS..EExtended strand (participates in β ladder)trans-132.1125.9171.5-165.80000108.3L459 R476L459-S474 PolarHBondContact N-O 3.21Å; L459-S474 PolarHBondContact O-N 3.31Å; S474-R476 VanDerWaalsContact OG-CD 3.3Å; S474-R476 WeakPolarHBondContact OG-CD 3.33Å
475L98.4Very high97.8Very high17 Ų1750.8 Ų50.89%0.08926%0.256CS..EExtended strand (participates in β ladder)trans-115.8115.3174.1-173.867.7000108.4E456 Y458 F473 A490E456-L475 HydrophobicContact CB-CD1 4.34Å; Y458-L475 HydrophobicContact CD2-CD1 4.28Å; F473-L475 HydrophobicContact CD2-CB 4.47Å; F473-L475 HydrophobicContact CE2-CB 4.41Å; L475-A490 HydrophobicContact CB-CB 4.35Å; L475-A490 HydrophobicContact CD2-CB 3.82Å; L475-A490 HydrophobicContact CG-CB 3.74Å; L475-A490 PolarHBondContact O-N 3.41Å
476R98.4Very high97.8Very high8 Ų852.2 Ų52.23%0.0327%0.265CS..EExtended strand (participates in β ladder)trans-111.3134-174.4-49.7-58-58.8165.22.3109.1E456 L457 S474 F478 R488 S489 A549 T550 T551 D552E456-R476 CarbonylContact C-O 3.48Å; E456-R476 WeakPolarHBondContact CA-O 3.24Å; L457-R476 HydrophobicContact CB-CB 4.36Å; L457-R476 PolarHBondContact N-O 2.99Å; L457-R476 PolarHBondContact O-N 3.33Å; S474-R476 VanDerWaalsContact OG-CD 3.3Å; S474-R476 WeakPolarHBondContact OG-CD 3.33Å; R476-F478 HydrophobicContact CB-CE2 4.38Å; R476-R488 WeakPolarHBondContact CA-O 3.33Å; R476-S489 VanDerWaalsContact NH1-CB 3.32Å; R476-S489 PolarHBondContact NH1-OG 2.84Å; R476-A549 WeakPolarHBondContact CG-O 3.34Å; R476-A549 PolarHBondContact NE-O 3.05Å; R476-T550 PolarHBondContact NH1-O 3.46Å; R476-T551 PolarHBondContact NH2-O 3.49Å; R476-D552 IonicContact CZ-OD1 3.84Å; R476-D552 IonicContact NH1-OD1 2.84Å; R476-D552 IonicContact NH2-OD1 3.78Å; R476-D552 PolarHBondContact NH2-OD1 2.95Å
477R98.6Very high97.8Very high112 Ų11248.8 Ų48.842%0.42325%0.249SC..EExtended strand (participates in β ladder)trans-110.2131.7175.5-176.9169.6-179166.11.4110.4D454 E456 C487 R488 A490D454-R477 VanDerWaalsContact CG-NH2 3.3Å; D454-R477 IonicContact OD1-CZ 2.7Å; D454-R477 IonicContact OD1-NE 3.72Å; D454-R477 PolarHBondContact OD1-NE 2.89Å; D454-R477 IonicContact OD1-NH2 3.88Å; D454-R477 PolarHBondContact OD1-NH2 3.34Å; D454-R477 IonicContact OD2-CZ 3.45Å; D454-R477 IonicContact OD2-NE 3.78Å; D454-R477 PolarHBondContact OD2-NE 2.81Å; D454-R477 IonicContact OD2-NH2 3.38Å; D454-R477 PolarHBondContact OD2-NH2 3.34Å; E456-R477 HydrophobicContact CG-CB 4.4Å; E456-R477 HydrophobicContact CG-CG 4.38Å; R477-C487 WeakPolarHBondContact O-CA 3.22Å; R477-R488 PolarHBondContact N-O 3.39Å; R477-R488 PolarHBondContact O-N 2.87Å; R477-A490 HydrophobicContact CB-CB 3.82Å
478F98.7Very high97.8Very high0 Ų051 Ų510%026%0.257CS..EExtended strand (participates in β ladder)trans-104122.3173.2-63.5-96.3000108.5V422 C424 V443 D454 G455 L457 R476 L485 L486 C487 W553V422-F478 HydrophobicContact CB-CB 3.97Å; V422-F478 HydrophobicContact CG1-CB 3.68Å; V422-F478 HydrophobicContact CG1-CD1 4.39Å; V422-F478 HydrophobicContact CG1-CD2 4.41Å; V422-F478 HydrophobicContact CG1-CG 3.93Å; V422-F478 HydrophobicContact CG2-CB 3.97Å; C424-F478 VanDerWaalsContact SG-CE2 3.55Å; V443-F478 HydrophobicContact CG1-CD1 4.21Å; V443-F478 HydrophobicContact CG1-CE1 4.22Å; V443-F478 HydrophobicContact CG2-CE1 4.04Å; V443-F478 HydrophobicContact CG2-CZ 4.23Å; D454-F478 CarbonylContact C-O 3.46Å; D454-F478 VanDerWaalsContact CA-O 3.27Å; D454-F478 WeakPolarHBondContact CA-O 3.21Å; G455-F478 PolarHBondContact N-O 3.3Å; G455-F478 PolarHBondContact O-N 2.85Å; L457-F478 HydrophobicContact CB-CE2 3.88Å; L457-F478 HydrophobicContact CD2-CE2 4.45Å; R476-F478 HydrophobicContact CB-CE2 4.38Å; F478-L485 HydrophobicContact CB-CD1 4.31Å; F478-L486 CarbonylContact C-O 3.54Å; F478-L486 WeakPolarHBondContact CA-O 3.34Å; F478-C487 HydrophobicContact CD1-CB 4.17Å; F478-C487 HydrophobicContact CE1-CB 4.07Å; F478-W553 HydrophobicContact CD1-CH2 4.16Å; F478-W553 HydrophobicContact CD1-CZ2 4.38Å; F478-W553 AromaticContact CE1-CH2 3.74Å; F478-W553 HydrophobicContact CE1-CH2 3.74Å; F478-W553 AromaticContact CE1-CZ2 3.6Å; F478-W553 HydrophobicContact CE1-CZ2 3.6Å; F478-W553 HydrophobicContact CZ-CZ2 4.44Å
479S98.6Very high97.8Very high34 Ų3447.8 Ų47.824%0.23825%0.253CS..EExtended strand (participates in β ladder)trans-131.4117.4178.7-57.70000110.3D454 L486D454-S479 PolarHBondContact OD2-OG 3.3Å; S479-L486 PolarHBondContact N-O 3.5Å; S479-L486 PolarHBondContact O-N 2.99Å
480M98.4Very high97.8Very high8 Ų845.2 Ų45.24%0.03925%0.245CC..EExtended strand (participates in β ladder)trans-102.2121.3176.3179.361179.800109.4V445 L447 S452 A453 R484 L485 I557V445-M480 HydrophobicContact CG1-CB 4.03Å; V445-M480 HydrophobicContact CG1-CG 4.08Å; L447-M480 HydrophobicContact CD2-CE 4Å; L447-M480 HydrophobicContact CD2-CG 3.51Å; S452-M480 WeakPolarHBondContact CA-O 3.38Å; S452-M480 VanDerWaalsContact CB-O 3.26Å; S452-M480 WeakPolarHBondContact CB-O 3.39Å; A453-M480 HydrophobicContact CB-CB 4.06Å; A453-M480 PolarHBondContact N-O 2.86Å; A453-M480 VanDerWaalsContact N-O 3.07Å; A453-M480 PolarHBondContact O-N 2.81Å; M480-R484 WeakPolarHBondContact CA-O 3.41Å; M480-L485 HydrophobicContact CB-CD1 4.01Å; M480-L485 HydrophobicContact SD-CB 3.94Å; M480-I557 HydrophobicContact CE-CD1 3.91Å
481A97.6Very high97.6Very high51 Ų5140.4 Ų40.442%0.42123%0.228SC..EExtended strand (participates in β ladder)trans-155.7145.8173.200000110.2G483 R484A481-G483 PolarHBondContact O-N 3.4Å; A481-G483 VanDerWaalsContact O-N 3.14Å; A481-R484 PolarHBondContact N-O 2.86Å; A481-R484 PolarHBondContact O-N 3.25Å
482S94.6Very high97.4Very high118 Ų11845.4 Ų45.483%0.82525%0.253SS*.THydrogen-bonded Turntrans51.640174.1-54.80000114R484S482-R484 VanDerWaalsContact C-N 3.27Å; S482-R484 PolarHBondContact O-N 3.23Å
483G95.4Very high97.2Very high22 Ų2250 Ų5023%0.22727%0.272CS..THydrogen-bonded Turntrans75.19.1-179.400000115A481 Q556 I557A481-G483 PolarHBondContact O-N 3.4Å; A481-G483 VanDerWaalsContact O-N 3.14Å; G483-Q556 PolarHBondContact O-NE2 2.8Å; G483-I557 WeakPolarHBondContact O-CB 3.26Å; G483-I557 PolarHBondContact O-N 3.07Å
484R97.6Very high97.1Very high99 Ų9950 Ų5037%0.37428%0.278SS..EExtended strand (participates in β ladder)trans-122.1124.9-178.8-164.7177.7-175.3-173.2-1.3111.4M480 A481 S482 L486 D554 I555M480-R484 WeakPolarHBondContact CA-O 3.41Å; A481-R484 PolarHBondContact N-O 2.86Å; A481-R484 PolarHBondContact O-N 3.25Å; S482-R484 VanDerWaalsContact C-N 3.27Å; S482-R484 PolarHBondContact O-N 3.23Å; R484-L486 HydrophobicContact CG-CD2 3.96Å; R484-D554 IonicContact CZ-OD1 3.45Å; R484-D554 VanDerWaalsContact CZ-OD1 3.23Å; R484-D554 IonicContact CZ-OD2 3.3Å; R484-D554 IonicContact NE-OD1 2.96Å; R484-D554 PolarHBondContact NE-OD1 3.33Å; R484-D554 IonicContact NH2-OD1 3.52Å; R484-D554 PolarHBondContact NH2-OD1 3.06Å; R484-D554 IonicContact NH2-OD2 3.78Å; R484-D554 PolarHBondContact NH2-OD2 3.15Å; R484-I555 CarbonylContact C-O 3.14Å; R484-I555 VanDerWaalsContact CA-O 3.32Å; R484-I555 WeakPolarHBondContact CA-O 3.37Å
485L98.4Very high96.8Very high0 Ų059.9 Ų59.90%031%0.314CS..EExtended strand (participates in β ladder)trans-99.2117.1171176.667.8000109.3V445 F478 M480 V505 W553 D554 I555V445-L485 HydrophobicContact CG2-CD1 4.22Å; V445-L485 HydrophobicContact CG2-CD2 4.01Å; F478-L485 HydrophobicContact CB-CD1 4.31Å; M480-L485 HydrophobicContact CB-CD1 4.01Å; M480-L485 HydrophobicContact SD-CB 3.94Å; L485-V505 HydrophobicContact CD2-CG1 3.84Å; L485-W553 HydrophobicContact CD2-CH2 4.39Å; L485-W553 HydrophobicContact CD2-CZ3 4.25Å; L485-D554 CarbonylContact O-C 3.5Å; L485-D554 WeakPolarHBondContact O-CA 3.38Å; L485-D554 VanDerWaalsContact O-CB 3.29Å; L485-D554 WeakPolarHBondContact O-CB 3.5Å; L485-I555 HydrophobicContact CB-CB 4.35Å; L485-I555 HydrophobicContact CD2-CD1 4.35Å; L485-I555 PolarHBondContact N-O 2.67Å; L485-I555 PolarHBondContact O-N 2.98Å
486L98.3Very high96.8Very high54 Ų5461.3 Ų61.328%0.28332%0.32SS..EExtended strand (participates in β ladder)trans-100134.9175.6-55.2177.4000109.8F478 S479 R484 R488 D554F478-L486 CarbonylContact C-O 3.54Å; F478-L486 WeakPolarHBondContact CA-O 3.34Å; S479-L486 PolarHBondContact N-O 3.5Å; S479-L486 PolarHBondContact O-N 2.99Å; R484-L486 HydrophobicContact CG-CD2 3.96Å; L486-R488 HydrophobicContact CB-CG 4.33Å; L486-D554 HydrophobicContact CD2-CB 3.47Å; L486-D554 VanDerWaalsContact CD2-CB 3.47Å
487C98.3Very high96.5Very high0 Ų065.3 Ų65.30%034%0.342CS..EExtended strand (participates in β ladder)trans-109.5117.3159.7178.70000108.4R477 F478 D552 W553R477-C487 WeakPolarHBondContact O-CA 3.22Å; F478-C487 HydrophobicContact CD1-CB 4.17Å; F478-C487 HydrophobicContact CE1-CB 4.07Å; C487-D552 WeakPolarHBondContact O-CA 3.43Å; C487-W553 HydrophobicContact CB-CD2 3.63Å; C487-W553 HydrophobicContact CB-CE3 4.03Å; C487-W553 HydrophobicContact CB-CG 4.17Å; C487-W553 HydrophobicContact CB-CH2 3.94Å; C487-W553 HydrophobicContact CB-CZ2 3.53Å; C487-W553 HydrophobicContact CB-CZ3 4.16Å; C487-W553 PolarHBondContact N-O 3.26Å; C487-W553 PolarHBondContact O-N 3.4Å
488R97.9Very high96.3Very high68 Ų6861 Ų6126%0.25733%0.329SS..EExtended strand (participates in β ladder)trans-134.7161.9-177.3-63.1-64.7-179.7-89.55.1110.8R476 R477 L486 A490 D552 W553 D554R476-R488 WeakPolarHBondContact CA-O 3.33Å; R477-R488 PolarHBondContact N-O 3.39Å; R477-R488 PolarHBondContact O-N 2.87Å; L486-R488 HydrophobicContact CB-CG 4.33Å; R488-A490 PolarHBondContact O-N 3.44Å; R488-D552 VanDerWaalsContact CD-OD2 3.24Å; R488-D552 WeakPolarHBondContact CD-OD2 3.4Å; R488-D552 IonicContact NE-OD2 3.74Å; R488-W553 VanDerWaalsContact NH1-C 3.26Å; R488-W553 PolarHBondContact NH1-O 2.73Å; R488-D554 IonicContact NH2-OD2 2.85Å; R488-D554 PolarHBondContact NH2-OD2 3.06Å
489S97Very high96Very high53 Ų5367.3 Ų67.337%0.37136%0.362SS..EExtended strand (participates in β ladder)trans-65.7128.3170.8-1430000110.2R476 S491 D552R476-S489 VanDerWaalsContact NH1-CB 3.32Å; R476-S489 PolarHBondContact NH1-OG 2.84Å; S489-S491 PolarHBondContact OG-O 3.49Å; S489-D552 PolarHBondContact N-OD1 3.32Å
490A96.8Very high95.8Very high43 Ų4366.7 Ų66.736%0.35536%0.356SS..SBendtrans-87.9-14.4171.800000111.9L475 R477 R488L475-A490 HydrophobicContact CB-CB 4.35Å; L475-A490 HydrophobicContact CD2-CB 3.82Å; L475-A490 HydrophobicContact CG-CB 3.74Å; L475-A490 PolarHBondContact O-N 3.41Å; R477-A490 HydrophobicContact CB-CB 3.82Å; R488-A490 PolarHBondContact O-N 3.44Å
491S94.3Very high95.8Very high31 Ų3167.7 Ų67.722%0.21736%0.363CS..  trans-143.1135.4174.2179.90000109.8S489 E493S489-S491 PolarHBondContact OG-O 3.49Å; S491-E493 PolarHBondContact OG-N 3.02Å
492E92.9Very high95.8Very high193 Ų19365.3 Ų65.390%0.90234%0.343SS*.SBendtrans-88.2-7.2173.8-62.2-174.317100112.5
493E94.4Very high95.9Very high110 Ų11062.6 Ų62.651%0.51432%0.317SS..SBendtrans-74.2-33-179.8-65.4-170.2-17000112.7K471 F473 S491K471-E493 WeakPolarHBondContact CB-O 3.28Å; K471-E493 IonicContact NZ-OE2 2.71Å; K471-E493 PolarHBondContact NZ-OE2 3.28Å; F473-E493 HydrophobicContact CZ-CB 4.26Å; S491-E493 PolarHBondContact OG-N 3.02Å
494G95.1Very high95.9Very high22 Ų2261.7 Ų61.723%0.22731%0.308CS..  trans-72134.5-173.900000113K471 F473K471-G494 WeakPolarHBondContact O-CA 3.25Å; F473-G494 CarbonylContact O-C 3.56Å; F473-G494 WeakPolarHBondContact O-CA 3.04Å
495R94Very high96Very high214 Ų21457 Ų5781%0.80829%0.29SS*.  trans-12526.3-177.3-57.5-175-176.8-145.5-1.2113.8K471 F473K471-R495 PolarHBondContact O-N 3.32Å; F473-R495 PolarHBondContact O-N 2.86Å; F473-R495 VanDerWaalsContact O-N 3.08Å
496F96.4Very high95.9Very high48 Ų4857.1 Ų57.121%0.21129%0.291CS..  trans-85.8136176.1-173.1-103.3000111.7L459 D460 D461 F473 C498L459-F496 HydrophobicContact CB-CD1 4.05Å; L459-F496 HydrophobicContact CB-CE1 4.07Å; D460-F496 VanDerWaalsContact C-CE2 3.5Å; D460-F496 VanDerWaalsContact O-CZ 3.31Å; D460-F496 WeakPolarHBondContact O-CZ 3.07Å; D461-F496 HydrophobicContact CB-CE2 4.46Å; F473-F496 VanDerWaalsContact CA-CB 3.41Å; F473-F496 WeakPolarHBondContact O-CB 3.36Å; F473-F496 PolarHBondContact O-N 2.79Å; F496-C498 HydrophobicContact CE1-CB 3.76Å; F496-C498 HydrophobicContact CZ-CB 4.21Å
497D93.9Very high95.9Very high91 Ų9154.5 Ų54.549%0.48728%0.277SS..  trans-126150.6170-168.230.1000110R548 T550D497-R548 IonicContact OD1-NH1 3.22Å; D497-R548 PolarHBondContact OD1-NH1 3.48Å; D497-R548 IonicContact OD2-CZ 3.54Å; D497-R548 IonicContact OD2-NH1 3Å; D497-R548 PolarHBondContact OD2-NH1 2.91Å; D497-R548 IonicContact OD2-NH2 2.73Å; D497-T550 WeakPolarHBondContact OD1-CB 3.4Å; D497-T550 PolarHBondContact OD1-OG1 3.27Å
498C92.9Very high95.9Very high23 Ų2354.9 Ų54.916%0.15528%0.279CS..  trans-151.8164.2177.165.70000110.7F496 N500F496-C498 HydrophobicContact CE1-CB 3.76Å; F496-C498 HydrophobicContact CZ-CB 4.21Å; C498-N500 PolarHBondContact O-N 3.25Å
499D93.7Very high95.9Very high131 Ų13152.6 Ų52.670%0.70128%0.277SS*.SBendtrans-811.1178.7-68.8-40.8000113.6V501 R548D499-V501 PolarHBondContact O-N 3.23Å; D499-R548 IonicContact OD1-CZ 3.91Å; D499-R548 IonicContact OD1-NH2 2.82Å; D499-R548 PolarHBondContact OD1-NH2 2.99Å
500N94.3Very high95.8Very high21 Ų2150.8 Ų50.811%0.11226%0.263CS..  trans-63.2135.1179.6-72.435000110.9Q437 C498 A549Q437-N500 VanDerWaalsContact O-CG 3.28Å; Q437-N500 PolarHBondContact O-ND2 2.96Å; Q437-N500 PolarHBondContact O-OD1 2.84Å; C498-N500 PolarHBondContact O-N 3.25Å; N500-A549 HydrophobicContact CB-CB 4.26Å; N500-A549 WeakPolarHBondContact O-CB 3.41Å; N500-A549 PolarHBondContact O-N 3.24Å
501V96.9Very high95.5Very high30 Ų3057.8 Ų57.818%0.18229%0.286CS..EExtended strand (participates in β ladder)trans-118.4149.6177.4-60.80000110.6P440 L441 D499 Q503 V547 R548P440-V501 CarbonylContact C-O 3.56Å; P440-V501 WeakPolarHBondContact CA-O 3.47Å; P440-V501 HydrophobicContact CB-CG2 4.03Å; P440-V501 HydrophobicContact CG-CG2 4.38Å; L441-V501 PolarHBondContact N-O 2.82Å; D499-V501 PolarHBondContact O-N 3.23Å; V501-Q503 PolarHBondContact O-N 3.02Å; V501-V547 CarbonylContact C-O 3.47Å; V501-V547 WeakPolarHBondContact CA-O 3.28Å; V501-V547 WeakPolarHBondContact CB-O 3.5Å; V501-R548 HydrophobicContact CG1-CG 4.38Å
502V97.8Very high95.4Very high0 Ų060.4 Ų60.40%030%0.304CS..EExtended strand (participates in β ladder)trans-80.6109161.7177.90000107.4L441 V443 V505 N546 V547 W553L441-V502 HydrophobicContact CB-CG2 4.25Å; L441-V502 HydrophobicContact CD1-CG2 4.43Å; V443-V502 HydrophobicContact CB-CG1 4.44Å; V443-V502 HydrophobicContact CG2-CG1 3.72Å; V443-V502 HydrophobicContact CG2-CG2 4.11Å; V502-V505 HydrophobicContact CG1-CG2 3.89Å; V502-N546 PolarHBondContact O-N 3.01Å; V502-V547 HydrophobicContact CB-CG2 3.9Å; V502-V547 PolarHBondContact N-O 3.11Å; V502-V547 PolarHBondContact O-N 3.33Å; V502-W553 HydrophobicContact CB-CZ2 4.23Å; V502-W553 HydrophobicContact CG1-CZ2 4.34Å; V502-W553 HydrophobicContact CG2-CZ2 3.96Å
503Q96.6Very high95.5Very high61 Ų6158.2 Ų58.229%0.28529%0.292SS..EExtended strand (participates in β ladder)trans-85.6-36.7-178.3178.8177.5-9.500111.6T427 P440 L441 V501 N543 N544 L545T427-Q503 HydrophobicContact CG2-CB 4.42Å; P440-Q503 HydrophobicContact CB-CB 3.64Å; P440-Q503 VanDerWaalsContact CB-OE1 3.32Å; L441-Q503 PolarHBondContact O-N 3.34Å; V501-Q503 PolarHBondContact O-N 3.02Å; Q503-N543 CarbonylContact O-C 3.52Å; Q503-N544 PolarHBondContact O-N 3.16Å; Q503-L545 PolarHBondContact O-N 2.67Å
504S97Very high95.5Very high3 Ų353.5 Ų53.52%0.02127%0.27CS..EExtended strand (participates in β ladder)trans-142.1150.6-178.248.50000112.9L441 D442 V443 L542L441-S504 PolarHBondContact O-N 3.3Å; D442-S504 WeakPolarHBondContact CA-O 3.35Å; D442-S504 VanDerWaalsContact OD1-CB 3.32Å; D442-S504 WeakPolarHBondContact OD1-CB 3.48Å; D442-S504 PolarHBondContact OD1-OG 3.44Å; V443-S504 PolarHBondContact N-O 2.56Å; S504-L542 WeakPolarHBondContact CA-O 3.21Å; S504-L542 VanDerWaalsContact CB-O 3.22Å; S504-L542 WeakPolarHBondContact CB-O 3.17Å
505V98.3Very high95.5Very high0 Ų057.7 Ų57.70%029%0.292CS..EExtended strand (participates in β ladder)trans-130.2125174.3174.20000108V443 V445 L485 V502 I507 L542 L545 W553 I555V443-V505 HydrophobicContact CB-CG2 4.15Å; V443-V505 CarbonylContact O-C 3.45Å; V443-V505 VanDerWaalsContact O-CA 3.31Å; V443-V505 WeakPolarHBondContact O-CA 3.39Å; V445-V505 HydrophobicContact CG2-CG1 4.37Å; L485-V505 HydrophobicContact CD2-CG1 3.84Å; V502-V505 HydrophobicContact CG1-CG2 3.89Å; V505-I507 HydrophobicContact CG1-CD1 4.2Å; V505-I507 HydrophobicContact CG1-CG1 3.85Å; V505-L542 PolarHBondContact N-O 2.73Å; V505-L542 PolarHBondContact O-N 2.82Å; V505-L545 HydrophobicContact CB-CD1 3.88Å; V505-L545 HydrophobicContact CG2-CD1 3.41Å; V505-L545 VanDerWaalsContact CG2-CD1 3.41Å; V505-W553 HydrophobicContact CG2-CH2 4.44Å; V505-I555 HydrophobicContact CB-CD1 4.24Å; V505-I555 HydrophobicContact CG1-CD1 4.39Å; V505-I555 HydrophobicContact CG2-CD1 3.84Å
506S97.8Very high95.6Very high3 Ų350 Ų502%0.02127%0.268CS..EExtended strand (participates in β ladder)trans-113.2121.6175-74.20000110V443 T444 V445 K539 L540V443-S506 PolarHBondContact O-N 2.7Å; T444-S506 CarbonylContact C-O 3.57Å; T444-S506 WeakPolarHBondContact CA-O 3.39Å; V445-S506 PolarHBondContact N-O 3.19Å; S506-K539 WeakPolarHBondContact OG-CE 3.3Å; S506-L540 CarbonylContact C-O 3.57Å; S506-L540 WeakPolarHBondContact CA-O 3.41Å
507I98.3Very high95.6Very high0 Ų047.7 Ų47.70%026%0.258CS..EExtended strand (participates in β ladder)trans-114.8116.4-179.1-48.9178.9000108.9V445 L447 V505 V510 K539 L540 I557V445-I507 HydrophobicContact CB-CB 4.34Å; V445-I507 HydrophobicContact CB-CG1 4.08Å; V445-I507 HydrophobicContact CB-CG2 4.14Å; V445-I507 HydrophobicContact CG1-CG2 4.14Å; V445-I507 HydrophobicContact CG2-CG1 4.23Å; V445-I507 CarbonylContact O-C 3.52Å; V445-I507 WeakPolarHBondContact O-CA 3.29Å; L447-I507 HydrophobicContact CD1-CG2 4.01Å; L447-I507 HydrophobicContact CD2-CG2 4.13Å; L447-I507 HydrophobicContact CG-CG2 3.94Å; V505-I507 HydrophobicContact CG1-CD1 4.2Å; V505-I507 HydrophobicContact CG1-CG1 3.85Å; I507-V510 HydrophobicContact CB-CG2 3.97Å; I507-V510 HydrophobicContact CG2-CG2 3.6Å; I507-K539 WeakPolarHBondContact O-CA 3.45Å; I507-L540 HydrophobicContact CB-CB 4.39Å; I507-L540 HydrophobicContact CD1-CD2 4.4Å; I507-L540 PolarHBondContact N-O 2.68Å; I507-L540 PolarHBondContact O-N 3.13Å; I507-I557 HydrophobicContact CD1-CD1 3.45Å; I507-I557 VanDerWaalsContact CD1-CD1 3.45Å
508M98.2Very high95.7Very high8 Ų845.5 Ų45.54%0.03925%0.247CC..EExtended strand (participates in β ladder)trans-98.3140.6-179-57177.6-69.600110.3Y390 A395 Q417 V445 L447 K539Y390-M508 HydrophobicContact CD1-CB 3.59Å; Y390-M508 HydrophobicContact CD1-CG 4.43Å; Y390-M508 HydrophobicContact CD1-SD 4.21Å; Y390-M508 HydrophobicContact CD2-CE 4.25Å; Y390-M508 HydrophobicContact CE1-CB 3.67Å; Y390-M508 HydrophobicContact CG-CB 4.05Å; Y390-M508 HydrophobicContact CG-CE 3.94Å; Y390-M508 HydrophobicContact CG-SD 4.05Å; A395-M508 HydrophobicContact CB-CG 4.22Å; A395-M508 HydrophobicContact CB-SD 3.88Å; Q417-M508 HydrophobicContact CB-CE 4.25Å; Q417-M508 HydrophobicContact CG-CE 4.31Å; Q417-M508 VanDerWaalsContact OE1-CE 3.3Å; V445-M508 PolarHBondContact O-N 3.08Å; L447-M508 WeakPolarHBondContact CB-O 3.41Å; L447-M508 VanDerWaalsContact CG-O 3.25Å; L447-M508 WeakPolarHBondContact CG-O 3.29Å; L447-M508 PolarHBondContact N-O 3.38Å; M508-K539 HydrophobicContact CG-CG 4.42Å
509G96.3Very high95.9Very high20 Ų2045.2 Ų45.221%0.20624%0.244CC..  trans91.515.1-178.400000114.4Y390 K511 C538Y390-G509 WeakPolarHBondContact OH-CA 3.46Å; G509-K511 PolarHBondContact O-N 2.96Å; G509-C538 PolarHBondContact N-O 3.28Å
510V95.5Very high96Very high15 Ų1542 Ų429%0.09123%0.225CC..  trans-75.2107.4175.7-179.70000108.6L447 I507 S512 P514 F533 C538 L540L447-V510 HydrophobicContact CD1-CG2 4.12Å; I507-V510 HydrophobicContact CB-CG2 3.97Å; I507-V510 HydrophobicContact CG2-CG2 3.6Å; V510-S512 VanDerWaalsContact C-N 3.33Å; V510-S512 WeakPolarHBondContact CG1-O 3.48Å; V510-S512 PolarHBondContact O-N 3.09Å; V510-P514 HydrophobicContact CG1-CG 4.39Å; V510-F533 HydrophobicContact CB-CE2 4.03Å; V510-F533 HydrophobicContact CG1-CE2 3.96Å; V510-F533 WeakPolarHBondContact O-CE2 3.4Å; V510-F533 WeakPolarHBondContact O-CZ 3.39Å; V510-C538 PolarHBondContact N-O 3.15Å; V510-C538 WeakPolarHBondContact O-CB 3.42Å; V510-L540 HydrophobicContact CB-CB 4.4Å; V510-L540 HydrophobicContact CG2-CB 3.96Å
511K90.7Very high96Very high189 Ų18943.2 Ų43.282%0.82223%0.233SC*.  trans-67.2-27.7-167.9-65.3-176.3-179.1175.80114.8G509G509-K511 PolarHBondContact O-N 2.96Å
512S92.2Very high95.7Very high86 Ų8645.1 Ų45.160%0.60125%0.246SC*.SBendtrans-140.7148.2-177.154.30000110.5V510 P514V510-S512 VanDerWaalsContact C-N 3.33Å; V510-S512 WeakPolarHBondContact CG1-O 3.48Å; V510-S512 PolarHBondContact O-N 3.09Å; S512-P514 WeakPolarHBondContact O-CD 3.5Å
513K95.6Very high95.2Very high148 Ų14849.8 Ų49.864%0.64329%0.294SS*.  trans-58.2123.7176.5-175.2174.7179.6178.20110.2F531 F533K513-F531 HydrophobicContact CG-CE2 4.48Å; K513-F533 HydrophobicContact CB-CD1 3.55Å; K513-F533 HydrophobicContact CB-CE1 3.89Å; K513-F533 HydrophobicContact CB-CG 4.05Å; K513-F533 HydrophobicContact CD-CB 4.5Å; K513-F533 HydrophobicContact CD-CD1 4.41Å; K513-F533 HydrophobicContact CG-CB 3.96Å; K513-F533 HydrophobicContact CG-CD1 3.89Å; K513-F533 HydrophobicContact CG-CG 4.04Å
514P95.1Very high94.9Very high10 Ų1049.3 Ų49.37%0.06530%0.3CS..  trans-62.8151.3174.5-22.333.8000111.8V510 S512 V517 F531 L540 I557 N558V510-P514 HydrophobicContact CG1-CG 4.39Å; S512-P514 WeakPolarHBondContact O-CD 3.5Å; P514-V517 HydrophobicContact CB-CG2 3.99Å; P514-V517 HydrophobicContact CG-CG2 4.34Å; P514-F531 HydrophobicContact CB-CE2 4.3Å; P514-F531 HydrophobicContact CB-CZ 4.16Å; P514-F531 HydrophobicContact CG-CE2 4.47Å; P514-F531 VanDerWaalsContact O-CZ 3.26Å; P514-F531 WeakPolarHBondContact O-CZ 3.34Å; P514-L540 HydrophobicContact CG-CD1 3.91Å; P514-L540 HydrophobicContact CG-CD2 3.91Å; P514-I557 HydrophobicContact CB-CG2 3.69Å; P514-I557 HydrophobicContact CG-CG2 3.49Å; P514-I557 VanDerWaalsContact CG-CG2 3.49Å; P514-N558 CarbonylContact C-O 3.42Å
515T95.1Very high94.3Very high110 Ų11058.2 Ų58.268%0.67534%0.339SS*.SBendtrans-81.2-42.8170.559.50000110.9N558T515-N558 PolarHBondContact N-O 2.83Å; T515-N558 PolarHBondContact OG1-O 2.85Å
516T95.1Very high93.8Very high52 Ų5261.5 Ų61.532%0.31936%0.362SS..  trans-144.9151.1179.757.80000110.2N558T516-N558 PolarHBondContact N-O 3.25Å; T516-N558 PolarHBondContact O-N 3Å; T516-N558 PolarHBondContact OG1-ND2 2.77Å
517V96.7Very high93.5Very high0 Ų066.9 Ų66.90%039%0.389CS..EExtended strand (participates in β ladder)trans-132.6119.7171.5-174.10000107.6P514 A529 F531 L540 L542 I555 Q556 I557P514-V517 HydrophobicContact CB-CG2 3.99Å; P514-V517 HydrophobicContact CG-CG2 4.34Å; V517-A529 PolarHBondContact O-N 3.5Å; V517-F531 HydrophobicContact CB-CD1 3.91Å; V517-F531 HydrophobicContact CB-CE1 4.37Å; V517-F531 HydrophobicContact CG2-CB 4.42Å; V517-F531 HydrophobicContact CG2-CD1 3.47Å; V517-F531 VanDerWaalsContact CG2-CD1 3.47Å; V517-F531 HydrophobicContact CG2-CE1 3.77Å; V517-F531 HydrophobicContact CG2-CG 3.91Å; V517-F531 HydrophobicContact CG2-CZ 4.43Å; V517-L540 HydrophobicContact CG2-CD2 4.23Å; V517-L542 HydrophobicContact CG1-CD1 4.4Å; V517-L542 HydrophobicContact CG1-CD2 3.59Å; V517-L542 HydrophobicContact CG1-CG 4.27Å; V517-I555 HydrophobicContact CG1-CG2 3.51Å; V517-Q556 CarbonylContact C-O 3.58Å; V517-Q556 WeakPolarHBondContact CA-O 3.2Å; V517-I557 HydrophobicContact CG1-CG1 4.22Å; V517-I557 HydrophobicContact CG2-CG2 4.41Å
518N96.2Very high93.2Very high46 Ų4670.7 Ų70.725%0.24642%0.416CS..EExtended strand (participates in β ladder)trans-113.9134.9-175.5-64.8-51.7000110.2I527 S528 I555 Q556N518-I527 WeakPolarHBondContact CA-O 3.36Å; N518-S528 WeakPolarHBondContact OD1-CA 3.42Å; N518-I555 CarbonylContact O-C 3.59Å; N518-I555 WeakPolarHBondContact O-CA 3.19Å; N518-Q556 PolarHBondContact N-O 3.43Å; N518-Q556 PolarHBondContact O-N 3.24Å
519V96.3Very high92.9Very high16 Ų1671.1 Ų71.110%0.09742%0.42CS..EExtended strand (participates in β ladder)trans-102135173.7-175.60000108.1S526 I527 A529 L545 V547 D554 I555V519-S526 VanDerWaalsContact O-CA 3.32Å; V519-S526 WeakPolarHBondContact O-CA 3.31Å; V519-S526 PolarHBondContact O-OG 3.44Å; V519-I527 PolarHBondContact N-O 2.88Å; V519-I527 PolarHBondContact O-N 2.91Å; V519-A529 HydrophobicContact CG2-CB 3.71Å; V519-L545 HydrophobicContact CG2-CD2 3.5Å; V519-V547 HydrophobicContact CG1-CG1 4.03Å; V519-D554 CarbonylContact C-O 3.45Å; V519-D554 WeakPolarHBondContact CA-O 3.26Å; V519-I555 HydrophobicContact CG2-CG1 4.28Å
520H96.1Very high92.8Very high63 Ų6374.3 Ų74.329%0.29244%0.439SS..EExtended strand (participates in β ladder)trans-125.4127.6176-178.462.1000110W553 D554H520-W553 CarbonylContact O-C 3.44Å; H520-W553 WeakPolarHBondContact O-CA 3.36Å; H520-W553 WeakPolarHBondContact O-CB 3.35Å; H520-D554 IonicContact CD2-OD2 2.68Å; H520-D554 PolarHBondContact N-O 3.02Å; H520-D554 PolarHBondContact O-N 2.82Å
521V94.2Very high92.8Very high47 Ų4776.4 Ų76.429%0.28545%0.447SS..  trans-116.5127.9169.3-1770000106.3G523 A524 V547 W553V521-G523 PolarHBondContact O-N 3.48Å; V521-A524 HydrophobicContact CB-CB 4.2Å; V521-A524 WeakPolarHBondContact O-CB 3.25Å; V521-A524 PolarHBondContact O-N 2.96Å; V521-V547 HydrophobicContact CG2-CG1 4.09Å; V521-W553 HydrophobicContact CG2-CB 4.03Å
522P91.1Very high93.1Very high71 Ų7171.9 Ų71.946%0.46143%0.429SS..THydrogen-bonded Turntrans-52.3132.7178.6-27.736.7000111.8A524 D552P522-A524 VanDerWaalsContact C-N 3.28Å; P522-A524 PolarHBondContact O-N 2.88Å; P522-D552 WeakPolarHBondContact CD-O 3.48Å; P522-D552 HydrophobicContact CG-CB 4.02Å
523G88.1Confident93.3Very high97 Ų9769.4 Ų69.4100%141%0.408SS*.THydrogen-bonded Turntrans82.1-6.7-176.700000115.4V521V521-G523 PolarHBondContact O-N 3.48Å
524A88.8Confident93.2Very high51 Ų5165.5 Ų65.542%0.42139%0.394SS..SBendtrans-109159.2173.500000112V521 P522V521-A524 HydrophobicContact CB-CB 4.2Å; V521-A524 WeakPolarHBondContact O-CB 3.25Å; V521-A524 PolarHBondContact O-N 2.96Å; P522-A524 VanDerWaalsContact C-N 3.28Å; P522-A524 PolarHBondContact O-N 2.88Å
525K85.4Confident93Very high191 Ų19172.7 Ų72.783%0.8343%0.426SS*.  trans-67.3141.1169.5-69.2-174.7179.5-179.40109.1
526S87.9Confident92.8Very high69 Ų6972.8 Ų72.848%0.48344%0.438SS..  trans-65.9139.5172.8-171.20000110.2V519V519-S526 VanDerWaalsContact O-CA 3.32Å; V519-S526 WeakPolarHBondContact O-CA 3.31Å; V519-S526 PolarHBondContact O-OG 3.44Å
527I91.4Very high92.5Very high116 Ų11671.9 Ų71.960%0.59543%0.434SS*.EExtended strand (participates in β ladder)trans-120.8131.8-175.4-60.8166.4000108N518 V519 A529N518-I527 WeakPolarHBondContact CA-O 3.36Å; V519-I527 PolarHBondContact N-O 2.88Å; V519-I527 PolarHBondContact O-N 2.91Å; I527-A529 PolarHBondContact O-N 2.85Å
528S91.4Very high92.4Very high80 Ų8074.3 Ų74.356%0.55945%0.45SS*.EExtended strand (participates in β ladder)trans-70.7120.5169.4-175.60000109.1N518N518-S528 WeakPolarHBondContact OD1-CA 3.42Å
529A92.2Very high92.4Very high16 Ų1674.1 Ų74.113%0.13245%0.447CS..PPolyproline II helixtrans-89.8141.8179.400000111V517 V519 I527 L542 L545V517-A529 PolarHBondContact O-N 3.5Å; V519-A529 HydrophobicContact CG2-CB 3.71Å; I527-A529 PolarHBondContact O-N 2.85Å; A529-L542 HydrophobicContact CB-CD2 4.05Å; A529-L545 HydrophobicContact CB-CD2 4.38Å
530S93Very high92.4Very high87 Ų8773.3 Ų73.361%0.60844%0.442SS*.PPolyproline II helixtrans-70.614216756.80000110
531F95.9Very high92.5Very high59 Ų5974.5 Ų74.526%0.25944%0.444SS..EExtended strand (participates in β ladder)trans-143.2154.917964.7-91.5000111.5K513 P514 V517 L540 R541 L542K513-F531 HydrophobicContact CG-CE2 4.48Å; P514-F531 HydrophobicContact CB-CE2 4.3Å; P514-F531 HydrophobicContact CB-CZ 4.16Å; P514-F531 HydrophobicContact CG-CE2 4.47Å; P514-F531 VanDerWaalsContact O-CZ 3.26Å; P514-F531 WeakPolarHBondContact O-CZ 3.34Å; V517-F531 HydrophobicContact CB-CD1 3.91Å; V517-F531 HydrophobicContact CB-CE1 4.37Å; V517-F531 HydrophobicContact CG2-CB 4.42Å; V517-F531 HydrophobicContact CG2-CD1 3.47Å; V517-F531 VanDerWaalsContact CG2-CD1 3.47Å; V517-F531 HydrophobicContact CG2-CE1 3.77Å; V517-F531 HydrophobicContact CG2-CG 3.91Å; V517-F531 HydrophobicContact CG2-CZ 4.43Å; F531-L540 HydrophobicContact CB-CD1 3.76Å; F531-L540 HydrophobicContact CD2-CD1 3.34Å; F531-L540 HydrophobicContact CE2-CD1 4.16Å; F531-L540 HydrophobicContact CG-CD1 3.77Å; F531-R541 CarbonylContact C-O 3.45Å; F531-R541 VanDerWaalsContact CA-O 3.28Å; F531-R541 WeakPolarHBondContact CA-O 3.4Å; F531-L542 HydrophobicContact CB-CG 4.35Å
532E96.6Very high92.6Very high95 Ų9572.3 Ų72.344%0.44443%0.431SS..EExtended strand (participates in β ladder)trans-111.3135.3169.2-176.9-178.5-172.300108.5L534 L540 R541E532-L534 HydrophobicContact CG-CD2 4.34Å; E532-L534 HydrophobicContact CG-CG 4.45Å; E532-L534 WeakPolarHBondContact OE1-CD2 3.32Å; E532-L540 CarbonylContact O-C 3.57Å; E532-L540 WeakPolarHBondContact O-CA 3.37Å; E532-R541 PolarHBondContact N-O 3.29Å; E532-R541 PolarHBondContact O-N 3.36Å
533F96.5Very high92.6Very high34 Ų3471.4 Ų71.415%0.14942%0.422CS..EExtended strand (participates in β ladder)trans-118.5115.1174.2-178-105.7000109.6V510 K513 E535 L540V510-F533 HydrophobicContact CB-CE2 4.03Å; V510-F533 HydrophobicContact CG1-CE2 3.96Å; V510-F533 WeakPolarHBondContact O-CE2 3.4Å; V510-F533 WeakPolarHBondContact O-CZ 3.39Å; K513-F533 HydrophobicContact CB-CD1 3.55Å; K513-F533 HydrophobicContact CB-CE1 3.89Å; K513-F533 HydrophobicContact CB-CG 4.05Å; K513-F533 HydrophobicContact CD-CB 4.5Å; K513-F533 HydrophobicContact CD-CD1 4.41Å; K513-F533 HydrophobicContact CG-CB 3.96Å; K513-F533 HydrophobicContact CG-CD1 3.89Å; K513-F533 HydrophobicContact CG-CG 4.04Å; F533-E535 HydrophobicContact CD1-CB 4.33Å; F533-E535 HydrophobicContact CE1-CB 3.98Å; F533-E535 HydrophobicContact CE1-CG 4.24Å; F533-L540 HydrophobicContact CD2-CB 4.37Å; F533-L540 HydrophobicContact CD2-CD1 4.5Å
534L94.4Very high92.7Very high66 Ų6672.3 Ų72.335%0.34640%0.404SS..EExtended strand (participates in β ladder)trans-94.296.2177.9-63.1171.7000108.6E532 A536 C537 C538 K539E532-L534 HydrophobicContact CG-CD2 4.34Å; E532-L534 HydrophobicContact CG-CG 4.45Å; E532-L534 WeakPolarHBondContact OE1-CD2 3.32Å; L534-A536 VanDerWaalsContact C-N 3.3Å; L534-A536 PolarHBondContact O-N 2.85Å; L534-C537 PolarHBondContact O-N 3.43Å; L534-C538 PolarHBondContact O-N 3.22Å; L534-K539 HydrophobicContact CB-CB 4.35Å; L534-K539 HydrophobicContact CD1-CD 4.38Å; L534-K539 PolarHBondContact N-O 2.9Å; L534-K539 PolarHBondContact O-N 3.1Å; L534-K539 VanDerWaalsContact O-N 3.13Å
535E91.8Very high92.8Very high160 Ų16071 Ų7175%0.74839%0.39SS*.G310 helixtrans-62-37.1-175.7-170.6167.4-166.300112.5F533 C537 C538F533-E535 HydrophobicContact CD1-CB 4.33Å; F533-E535 HydrophobicContact CE1-CB 3.98Å; F533-E535 HydrophobicContact CE1-CG 4.24Å; E535-C537 PolarHBondContact O-N 3.44Å; E535-C537 VanDerWaalsContact O-N 3.12Å; E535-C538 PolarHBondContact O-N 3.03Å
536A89.2Confident93.2Very high112 Ų11266.4 Ų66.493%0.92638%0.375SS*.G310 helixtrans-59.3-26.1-178.800000114.4L534L534-A536 VanDerWaalsContact C-N 3.3Å; L534-A536 PolarHBondContact O-N 2.85Å
537C89.1Confident93.5Very high33 Ų3363.8 Ų63.822%0.22336%0.356CS..G310 helixtrans-127.714.8178.160.40000113.5A395 L534 E535 K539A395-C537 HydrophobicContact CB-CB 4.36Å; L534-C537 PolarHBondContact O-N 3.43Å; E535-C537 PolarHBondContact O-N 3.44Å; E535-C537 VanDerWaalsContact O-N 3.12Å; C537-K539 PolarHBondContact O-N 3.06Å
538C94.1Very high93.7Very high52 Ų5262.2 Ų62.235%0.35134%0.342SS..THydrogen-bonded Turntrans49.344.6-179.9-58.50000113.1G509 V510 L534 E535G509-C538 PolarHBondContact N-O 3.28Å; V510-C538 PolarHBondContact N-O 3.15Å; V510-C538 WeakPolarHBondContact O-CB 3.42Å; L534-C538 PolarHBondContact O-N 3.22Å; E535-C538 PolarHBondContact O-N 3.03Å
539K96.3Very high93.9Very high41 Ų4158.4 Ų58.418%0.17832%0.316CS..EExtended strand (participates in β ladder)trans-113.4124.9-175.7-179.2179.2177.3176.90111.2A395 S506 I507 M508 L534 C537A395-K539 HydrophobicContact CB-CD 3.87Å; S506-K539 WeakPolarHBondContact OG-CE 3.3Å; I507-K539 WeakPolarHBondContact O-CA 3.45Å; M508-K539 HydrophobicContact CG-CG 4.42Å; L534-K539 HydrophobicContact CB-CB 4.35Å; L534-K539 HydrophobicContact CD1-CD 4.38Å; L534-K539 PolarHBondContact N-O 2.9Å; L534-K539 PolarHBondContact O-N 3.1Å; L534-K539 VanDerWaalsContact O-N 3.13Å; C537-K539 PolarHBondContact O-N 3.06Å
540L97.4Very high94.1Very high0 Ų058.4 Ų58.40%031%0.314CS..EExtended strand (participates in β ladder)trans-97.2131.8169.618067.5000109.3S506 I507 V510 P514 V517 F531 E532 F533 L542 I557S506-L540 CarbonylContact C-O 3.57Å; S506-L540 WeakPolarHBondContact CA-O 3.41Å; I507-L540 HydrophobicContact CB-CB 4.39Å; I507-L540 HydrophobicContact CD1-CD2 4.4Å; I507-L540 PolarHBondContact N-O 2.68Å; I507-L540 PolarHBondContact O-N 3.13Å; V510-L540 HydrophobicContact CB-CB 4.4Å; V510-L540 HydrophobicContact CG2-CB 3.96Å; P514-L540 HydrophobicContact CG-CD1 3.91Å; P514-L540 HydrophobicContact CG-CD2 3.91Å; V517-L540 HydrophobicContact CG2-CD2 4.23Å; F531-L540 HydrophobicContact CB-CD1 3.76Å; F531-L540 HydrophobicContact CD2-CD1 3.34Å; F531-L540 HydrophobicContact CE2-CD1 4.16Å; F531-L540 HydrophobicContact CG-CD1 3.77Å; E532-L540 CarbonylContact O-C 3.57Å; E532-L540 WeakPolarHBondContact O-CA 3.37Å; F533-L540 HydrophobicContact CD2-CB 4.37Å; F533-L540 HydrophobicContact CD2-CD1 4.5Å; L540-L542 HydrophobicContact CD2-CD1 4.05Å; L540-L542 HydrophobicContact CG-CD1 3.99Å; L540-I557 HydrophobicContact CD2-CD1 3.94Å; L540-I557 HydrophobicContact CD2-CG1 4.15Å; L540-I557 HydrophobicContact CD2-CG2 4.21Å
541R97.1Very high94.1Very high88 Ų8856.6 Ų56.633%0.33230%0.299SS..EExtended strand (participates in β ladder)trans-126.3124.1177-174.1176-176.3152.69.9110.6F531 E532 N543F531-R541 CarbonylContact C-O 3.45Å; F531-R541 VanDerWaalsContact CA-O 3.28Å; F531-R541 WeakPolarHBondContact CA-O 3.4Å; E532-R541 PolarHBondContact N-O 3.29Å; E532-R541 PolarHBondContact O-N 3.36Å; R541-N543 PolarHBondContact NE-OD1 3.15Å
542L96.5Very high94.2Very high0 Ų056.5 Ų56.50%030%0.301CS..EExtended strand (participates in β ladder)trans-103.9131.7168.8-64.980.3000108S504 V505 V517 A529 F531 L540 L545 I555S504-L542 WeakPolarHBondContact CA-O 3.21Å; S504-L542 VanDerWaalsContact CB-O 3.22Å; S504-L542 WeakPolarHBondContact CB-O 3.17Å; V505-L542 PolarHBondContact N-O 2.73Å; V505-L542 PolarHBondContact O-N 2.82Å; V517-L542 HydrophobicContact CG1-CD1 4.4Å; V517-L542 HydrophobicContact CG1-CD2 3.59Å; V517-L542 HydrophobicContact CG1-CG 4.27Å; A529-L542 HydrophobicContact CB-CD2 4.05Å; F531-L542 HydrophobicContact CB-CG 4.35Å; L540-L542 HydrophobicContact CD2-CD1 4.05Å; L540-L542 HydrophobicContact CG-CD1 3.99Å; L542-L545 HydrophobicContact CB-CD1 4.01Å; L542-L545 HydrophobicContact CB-CD2 4.23Å; L542-L545 HydrophobicContact CB-CG 4.13Å; L542-L545 HydrophobicContact CD2-CD1 4.41Å; L542-L545 HydrophobicContact CD2-CD2 3.87Å; L542-I555 HydrophobicContact CD2-CD1 4.11Å; L542-I555 HydrophobicContact CD2-CG2 3.85Å
543N92Very high94.2Very high53 Ų5352 Ų5228%0.28328%0.28SS..  trans-121.8161.6176.4-61.9-55.5000109.5Q503 R541 L545Q503-N543 CarbonylContact O-C 3.52Å; R541-N543 PolarHBondContact NE-OD1 3.15Å; N543-L545 VanDerWaalsContact C-N 3.26Å; N543-L545 PolarHBondContact O-N 3.4Å
544N88.9Confident94.3Very high115 Ų11550.6 Ų50.662%0.61527%0.274SS*.  trans59.333.3177-52-38.5000113.7Q503Q503-N544 PolarHBondContact O-N 3.16Å
545L92Very high94.4Very high24 Ų2447.5 Ų47.513%0.12626%0.258CS..  trans-65.9-47.4177.7-74.2172000111.8Q503 V505 V519 A529 L542 N543 V547 I555Q503-L545 PolarHBondContact O-N 2.67Å; V505-L545 HydrophobicContact CB-CD1 3.88Å; V505-L545 HydrophobicContact CG2-CD1 3.41Å; V505-L545 VanDerWaalsContact CG2-CD1 3.41Å; V519-L545 HydrophobicContact CG2-CD2 3.5Å; A529-L545 HydrophobicContact CB-CD2 4.38Å; L542-L545 HydrophobicContact CB-CD1 4.01Å; L542-L545 HydrophobicContact CB-CD2 4.23Å; L542-L545 HydrophobicContact CB-CG 4.13Å; L542-L545 HydrophobicContact CD2-CD1 4.41Å; L542-L545 HydrophobicContact CD2-CD2 3.87Å; N543-L545 VanDerWaalsContact C-N 3.26Å; N543-L545 PolarHBondContact O-N 3.4Å; L545-V547 PolarHBondContact O-N 3.21Å; L545-I555 HydrophobicContact CD1-CD1 3.96Å
546N92.7Very high94.7Very high95 Ų9542.3 Ų42.351%0.50823%0.234SC..  trans51.635.5178-59.2-39.2000114V502V502-N546 PolarHBondContact O-N 3.01Å
547V94.9Very high95Very high14 Ų1438 Ų389%0.08520%0.195CC..EExtended strand (participates in β ladder)trans-85.5139.6174.2-650000109.6V501 V502 V519 V521 L545 A549 W553V501-V547 CarbonylContact C-O 3.47Å; V501-V547 WeakPolarHBondContact CA-O 3.28Å; V501-V547 WeakPolarHBondContact CB-O 3.5Å; V502-V547 HydrophobicContact CB-CG2 3.9Å; V502-V547 PolarHBondContact N-O 3.11Å; V502-V547 PolarHBondContact O-N 3.33Å; V519-V547 HydrophobicContact CG1-CG1 4.03Å; V521-V547 HydrophobicContact CG2-CG1 4.09Å; L545-V547 PolarHBondContact O-N 3.21Å; V547-A549 PolarHBondContact O-N 3.33Å; V547-W553 HydrophobicContact CB-CD2 4.43Å; V547-W553 HydrophobicContact CB-CG 4.1Å; V547-W553 HydrophobicContact CG2-CD2 3.77Å; V547-W553 HydrophobicContact CG2-CE3 4.44Å; V547-W553 HydrophobicContact CG2-CG 3.95Å; V547-W553 HydrophobicContact CG2-CZ2 4Å
548R95.6Very high95.1Very high83 Ų8341.8 Ų41.831%0.31321%0.213SC..EExtended strand (participates in β ladder)trans-64136.8-179.3-86.6-171.7145.3-153.1-2.9111.5D497 D499 V501 T550 T551 W553D497-R548 IonicContact OD1-NH1 3.22Å; D497-R548 PolarHBondContact OD1-NH1 3.48Å; D497-R548 IonicContact OD2-CZ 3.54Å; D497-R548 IonicContact OD2-NH1 3Å; D497-R548 PolarHBondContact OD2-NH1 2.91Å; D497-R548 IonicContact OD2-NH2 2.73Å; D499-R548 IonicContact OD1-CZ 3.91Å; D499-R548 IonicContact OD1-NH2 2.82Å; D499-R548 PolarHBondContact OD1-NH2 2.99Å; V501-R548 HydrophobicContact CG1-CG 4.38Å; R548-T550 VanDerWaalsContact C-N 3.27Å; R548-T550 PolarHBondContact O-N 3.28Å; R548-T551 HydrophobicContact CB-CG2 3.84Å; R548-T551 WeakPolarHBondContact CB-OG1 3.5Å; R548-T551 PolarHBondContact O-N 3.16Å; R548-T551 PolarHBondContact O-OG1 2.91Å; R548-T551 VanDerWaalsContact O-OG1 3.11Å; R548-W553 PolarHBondContact O-NE1 2.77Å
549A95.5Very high95.1Very high0 Ų041.3 Ų41.30%021%0.206CC..THydrogen-bonded Turntrans-66.6-31-178.400000112.1L441 L459 R476 N500 V547L441-A549 HydrophobicContact CD1-CB 3.9Å; L459-A549 HydrophobicContact CD1-CB 4.26Å; R476-A549 WeakPolarHBondContact CG-O 3.34Å; R476-A549 PolarHBondContact NE-O 3.05Å; N500-A549 HydrophobicContact CB-CB 4.26Å; N500-A549 WeakPolarHBondContact O-CB 3.41Å; N500-A549 PolarHBondContact O-N 3.24Å; V547-A549 PolarHBondContact O-N 3.33Å
550T95.6Very high95.1Very high15 Ų1541.3 Ų41.39%0.09221%0.207CC..THydrogen-bonded Turntrans-87.7-5.2-176.351.10000114L459 R476 D497 R548L459-T550 HydrophobicContact CD1-CG2 4.14Å; R476-T550 PolarHBondContact NH1-O 3.46Å; D497-T550 WeakPolarHBondContact OD1-CB 3.4Å; D497-T550 PolarHBondContact OD1-OG1 3.27Å; R548-T550 VanDerWaalsContact C-N 3.27Å; R548-T550 PolarHBondContact O-N 3.28Å
551T95Very high94.9Very high50 Ų5043.6 Ų43.631%0.30722%0.219SC..SBendtrans-106.6158.6-177.561.10000112.5R476 R548R476-T551 PolarHBondContact NH2-O 3.49Å; R548-T551 HydrophobicContact CB-CG2 3.84Å; R548-T551 WeakPolarHBondContact CB-OG1 3.5Å; R548-T551 PolarHBondContact O-N 3.16Å; R548-T551 PolarHBondContact O-OG1 2.91Å; R548-T551 VanDerWaalsContact O-OG1 3.11Å
552D97.2Very high94.8Very high57 Ų5740.9 Ų40.931%0.30521%0.212SC..  trans-72.9137.7172.8-74.48.9000110.9R476 C487 R488 S489 P522R476-D552 IonicContact CZ-OD1 3.84Å; R476-D552 IonicContact NH1-OD1 2.84Å; R476-D552 IonicContact NH2-OD1 3.78Å; R476-D552 PolarHBondContact NH2-OD1 2.95Å; C487-D552 WeakPolarHBondContact O-CA 3.43Å; R488-D552 VanDerWaalsContact CD-OD2 3.24Å; R488-D552 WeakPolarHBondContact CD-OD2 3.4Å; R488-D552 IonicContact NE-OD2 3.74Å; S489-D552 PolarHBondContact N-OD1 3.32Å; P522-D552 WeakPolarHBondContact CD-O 3.48Å; P522-D552 HydrophobicContact CG-CB 4.02Å
553W97.4Very high94.7Very high0 Ų043.5 Ų43.50%023%0.226CC..EExtended strand (participates in β ladder)trans-161.3161.717252.1-96.9000110.3F478 L485 C487 R488 V502 V505 H520 V521 V547 R548 I555F478-W553 HydrophobicContact CD1-CH2 4.16Å; F478-W553 HydrophobicContact CD1-CZ2 4.38Å; F478-W553 AromaticContact CE1-CH2 3.74Å; F478-W553 HydrophobicContact CE1-CH2 3.74Å; F478-W553 AromaticContact CE1-CZ2 3.6Å; F478-W553 HydrophobicContact CE1-CZ2 3.6Å; F478-W553 HydrophobicContact CZ-CZ2 4.44Å; L485-W553 HydrophobicContact CD2-CH2 4.39Å; L485-W553 HydrophobicContact CD2-CZ3 4.25Å; C487-W553 HydrophobicContact CB-CD2 3.63Å; C487-W553 HydrophobicContact CB-CE3 4.03Å; C487-W553 HydrophobicContact CB-CG 4.17Å; C487-W553 HydrophobicContact CB-CH2 3.94Å; C487-W553 HydrophobicContact CB-CZ2 3.53Å; C487-W553 HydrophobicContact CB-CZ3 4.16Å; C487-W553 PolarHBondContact N-O 3.26Å; C487-W553 PolarHBondContact O-N 3.4Å; R488-W553 VanDerWaalsContact NH1-C 3.26Å; R488-W553 PolarHBondContact NH1-O 2.73Å; V502-W553 HydrophobicContact CB-CZ2 4.23Å; V502-W553 HydrophobicContact CG1-CZ2 4.34Å; V502-W553 HydrophobicContact CG2-CZ2 3.96Å; V505-W553 HydrophobicContact CG2-CH2 4.44Å; H520-W553 CarbonylContact O-C 3.44Å; H520-W553 WeakPolarHBondContact O-CA 3.36Å; H520-W553 WeakPolarHBondContact O-CB 3.35Å; V521-W553 HydrophobicContact CG2-CB 4.03Å; V547-W553 HydrophobicContact CB-CD2 4.43Å; V547-W553 HydrophobicContact CB-CG 4.1Å; V547-W553 HydrophobicContact CG2-CD2 3.77Å; V547-W553 HydrophobicContact CG2-CE3 4.44Å; V547-W553 HydrophobicContact CG2-CG 3.95Å; V547-W553 HydrophobicContact CG2-CZ2 4Å; R548-W553 PolarHBondContact O-NE1 2.77Å; W553-I555 HydrophobicContact CE3-CD1 4.31Å; W553-I555 HydrophobicContact CE3-CG1 4.04Å; W553-I555 HydrophobicContact CH2-CD1 4.44Å; W553-I555 HydrophobicContact CZ3-CD1 3.66Å; W553-I555 HydrophobicContact CZ3-CG1 3.79Å
554D97.2Very high94.9Very high5 Ų542.9 Ų42.93%0.02722%0.222CC..EExtended strand (participates in β ladder)trans-141.6157.2172.560.6100000113.7R484 L485 L486 R488 V519 H520R484-D554 IonicContact CZ-OD1 3.45Å; R484-D554 VanDerWaalsContact CZ-OD1 3.23Å; R484-D554 IonicContact CZ-OD2 3.3Å; R484-D554 IonicContact NE-OD1 2.96Å; R484-D554 PolarHBondContact NE-OD1 3.33Å; R484-D554 IonicContact NH2-OD1 3.52Å; R484-D554 PolarHBondContact NH2-OD1 3.06Å; R484-D554 IonicContact NH2-OD2 3.78Å; R484-D554 PolarHBondContact NH2-OD2 3.15Å; L485-D554 CarbonylContact O-C 3.5Å; L485-D554 WeakPolarHBondContact O-CA 3.38Å; L485-D554 VanDerWaalsContact O-CB 3.29Å; L485-D554 WeakPolarHBondContact O-CB 3.5Å; L486-D554 HydrophobicContact CD2-CB 3.47Å; L486-D554 VanDerWaalsContact CD2-CB 3.47Å; R488-D554 IonicContact NH2-OD2 2.85Å; R488-D554 PolarHBondContact NH2-OD2 3.06Å; V519-D554 CarbonylContact C-O 3.45Å; V519-D554 WeakPolarHBondContact CA-O 3.26Å; H520-D554 IonicContact CD2-OD2 2.68Å; H520-D554 PolarHBondContact N-O 3.02Å; H520-D554 PolarHBondContact O-N 2.82Å
555I97.8Very high95.3Very high0 Ų037.7 Ų37.70%019%0.194CC..EExtended strand (participates in β ladder)trans-120.7116.4178.4-58.8175.4000107.3R484 L485 V505 V517 N518 V519 L542 L545 W553 I557R484-I555 CarbonylContact C-O 3.14Å; R484-I555 VanDerWaalsContact CA-O 3.32Å; R484-I555 WeakPolarHBondContact CA-O 3.37Å; L485-I555 HydrophobicContact CB-CB 4.35Å; L485-I555 HydrophobicContact CD2-CD1 4.35Å; L485-I555 PolarHBondContact N-O 2.67Å; L485-I555 PolarHBondContact O-N 2.98Å; V505-I555 HydrophobicContact CB-CD1 4.24Å; V505-I555 HydrophobicContact CG1-CD1 4.39Å; V505-I555 HydrophobicContact CG2-CD1 3.84Å; V517-I555 HydrophobicContact CG1-CG2 3.51Å; N518-I555 CarbonylContact O-C 3.59Å; N518-I555 WeakPolarHBondContact O-CA 3.19Å; V519-I555 HydrophobicContact CG2-CG1 4.28Å; L542-I555 HydrophobicContact CD2-CD1 4.11Å; L542-I555 HydrophobicContact CD2-CG2 3.85Å; L545-I555 HydrophobicContact CD1-CD1 3.96Å; W553-I555 HydrophobicContact CE3-CD1 4.31Å; W553-I555 HydrophobicContact CE3-CG1 4.04Å; W553-I555 HydrophobicContact CH2-CD1 4.44Å; W553-I555 HydrophobicContact CZ3-CD1 3.66Å; W553-I555 HydrophobicContact CZ3-CG1 3.79Å; I555-I557 HydrophobicContact CG2-CG1 4.42Å
556Q97.1Very high95.6Very high52 Ų5238.8 Ų38.824%0.24320%0.199CC..EExtended strand (participates in β ladder)trans-100.1127.1174.4-178.364.35400109.9G483 V517 N518G483-Q556 PolarHBondContact O-NE2 2.8Å; V517-Q556 CarbonylContact C-O 3.58Å; V517-Q556 WeakPolarHBondContact CA-O 3.2Å; N518-Q556 PolarHBondContact N-O 3.43Å; N518-Q556 PolarHBondContact O-N 3.24Å
557I96.2Very high95.8Very high22 Ų2234.1 Ų34.111%0.11317%0.173CC..EExtended strand (participates in β ladder)trans-109.3127.5178.4-54.6161.8000107.3M480 G483 I507 P514 V517 L540 I555M480-I557 HydrophobicContact CE-CD1 3.91Å; G483-I557 WeakPolarHBondContact O-CB 3.26Å; G483-I557 PolarHBondContact O-N 3.07Å; I507-I557 HydrophobicContact CD1-CD1 3.45Å; I507-I557 VanDerWaalsContact CD1-CD1 3.45Å; P514-I557 HydrophobicContact CB-CG2 3.69Å; P514-I557 HydrophobicContact CG-CG2 3.49Å; P514-I557 VanDerWaalsContact CG-CG2 3.49Å; V517-I557 HydrophobicContact CG1-CG1 4.22Å; V517-I557 HydrophobicContact CG2-CG2 4.41Å; L540-I557 HydrophobicContact CD2-CD1 3.94Å; L540-I557 HydrophobicContact CD2-CG1 4.15Å; L540-I557 HydrophobicContact CD2-CG2 4.21Å; I555-I557 HydrophobicContact CG2-CG1 4.42Å
558N90.3Very high95.9Very high111 Ų11135.9 Ų35.959%0.59418%0.181SC*.  trans-1230-179.2-56.4-59.5000113P514 T515 T516P514-N558 CarbonylContact C-O 3.42Å; T515-N558 PolarHBondContact N-O 2.83Å; T515-N558 PolarHBondContact OG1-O 2.85Å; T516-N558 PolarHBondContact N-O 3.25Å; T516-N558 PolarHBondContact O-N 3Å; T516-N558 PolarHBondContact OG1-ND2 2.77Å

Retrieved 558 of 558 residues in 658.3 ms (Link to these results)

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