A0A087XTM5_POEFO Loading...

Histamine N-methyltransferase

AlphaFold DB , UniProt , Accession A0A087XTM5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 300 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
1M35.2Very low51.2Low228 Ų228130.4 Ų130.4100%1.12377%0.767SS**  094.80-165.5169135.100106.2L3M1-L3 PolarHBondContact O-N 2.93Å
2L34Very low54.5Low169 Ų169131.4 Ų131.489%0.88576%0.755SS**  trans-71.4111.8176.9-88.7129.9000107.2T4L2-T4 VanDerWaalsContact C-N 3.28Å; L2-T4 PolarHBondContact O-N 3.29Å
3L35.5Very low57.3Low161 Ų161122 Ų12284%0.84370%0.702SS**  trans-71.392.5165-80.8158.5000106.7M1 G5M1-L3 PolarHBondContact O-N 2.93Å; L3-G5 VanDerWaalsContact C-N 3.29Å; L3-G5 PolarHBondContact O-N 3.39Å
4T39.9Very low59.7Low124 Ų124113.3 Ų113.376%0.76165%0.652SS**  trans-63.897.5159.944.70000106.6L2 I6L2-T4 VanDerWaalsContact C-N 3.28Å; L2-T4 PolarHBondContact O-N 3.29Å; T4-I6 PolarHBondContact O-N 3.25Å
5G40.8Very low61.4Low63 Ų63109.5 Ų109.565%0.64963%0.631SS**  trans-53.3129.1167.300000108.2L3 M7L3-G5 VanDerWaalsContact C-N 3.29Å; L3-G5 PolarHBondContact O-N 3.39Å; G5-M7 VanDerWaalsContact C-N 3.32Å; G5-M7 PolarHBondContact O-N 3.04Å
6I41.6Very low63Low171 Ų171111.2 Ų111.288%0.87763%0.631SS**  trans-6399.7172.2-62169000105.2T4 G8T4-I6 PolarHBondContact O-N 3.25Å; I6-G8 PolarHBondContact O-N 2.96Å; I6-G8 VanDerWaalsContact O-N 3.09Å
7M46.5Very low64.7Low182 Ų182108.3 Ų108.390%0.89761%0.613SS**  trans-64.8111166.6-75.8-170.7-7000106G5G5-M7 VanDerWaalsContact C-N 3.32Å; G5-M7 PolarHBondContact O-N 3.04Å
8G55.3Low66Low61 Ų61107.3 Ų107.363%0.62961%0.606SS**PPolyproline II helixtrans-54.1152.8169.100000109.9I6I6-G8 PolarHBondContact O-N 2.96Å; I6-G8 VanDerWaalsContact O-N 3.09Å
9S63.5Low67.3Low108 Ų108107.1 Ų107.176%0.75560%0.603SS**PPolyproline II helixtrans-54.4141.2170.9510000109.8L11S9-L11 PolarHBondContact O-N 3.44Å
10P81.3Confident68.7Low115 Ų115103.3 Ų103.375%0.74758%0.579SS**PPolyproline II helixtrans-57.3140.8177.324.6-33000110.2K12P10-K12 PolarHBondContact O-N 3.21Å
11L89.5Confident69.8Low52 Ų52100.1 Ų100.127%0.27256%0.558SS.*PPolyproline II helixtrans-59.3135.8174.7-64.1179.9000109.2S9 L196 V253 L264S9-L11 PolarHBondContact O-N 3.44Å; L11-L196 HydrophobicContact CD1-CD2 4.32Å; L11-V253 HydrophobicContact CB-CG1 3.92Å; L11-V253 HydrophobicContact CB-CG2 4.07Å; L11-V253 HydrophobicContact CD1-CG1 4.24Å; L11-V253 HydrophobicContact CD1-CG2 4Å; L11-V253 HydrophobicContact CD2-CG1 4.12Å; L11-V253 HydrophobicContact CG-CG1 4.31Å; L11-L264 HydrophobicContact CD1-CD2 3.85Å
12K91.3Very high72.5Confident143 Ų14390.5 Ų90.562%0.62251%0.511SS*.PPolyproline II helixtrans-90.2135.6179.4-67.6-178.1-179178.10109P10 V253 L254P10-K12 PolarHBondContact O-N 3.21Å; K12-V253 WeakPolarHBondContact O-CA 3.18Å; K12-L254 HydrophobicContact CB-CB 4.22Å; K12-L254 HydrophobicContact CB-CD2 4.45Å; K12-L254 WeakPolarHBondContact O-CB 3.38Å; K12-L254 PolarHBondContact O-N 2.85Å
13S90.1Very high75.4Confident9 Ų988 Ų886%0.06349%0.489CS..BIsolated β-bridgetrans-65.3140.4175.8-177.20000111.5V15 H16 Q203 E252S13-V15 PolarHBondContact O-N 3.04Å; S13-V15 WeakPolarHBondContact OG-CG2 3.44Å; S13-H16 WeakPolarHBondContact O-CB 3.38Å; S13-H16 PolarHBondContact O-N 3.42Å; S13-Q203 PolarHBondContact OG-NE2 2.97Å; S13-Q203 VanDerWaalsContact OG-NE2 3.1Å; S13-E252 WeakPolarHBondContact CA-O 3.21Å
14L90.9Very high78.3Confident0 Ų080.3 Ų80.30%045%0.449CS..G310 helixtrans-56.5-34.2177.2179.660.2000112.1H16 D17 R20 Y21 D248 F249 E252 L254L14-H16 PolarHBondContact O-N 2.79Å; L14-D17 PolarHBondContact O-N 3.38Å; L14-R20 HydrophobicContact CD1-CB 4.35Å; L14-R20 HydrophobicContact CD1-CG 4.09Å; L14-Y21 HydrophobicContact CD2-CD2 3.96Å; L14-Y21 HydrophobicContact CG-CD2 3.97Å; L14-D248 HydrophobicContact CD1-CB 4.23Å; L14-D248 HydrophobicContact CD2-CB 4.4Å; L14-F249 HydrophobicContact CD2-CD2 4.46Å; L14-E252 PolarHBondContact N-O 3.23Å; L14-L254 HydrophobicContact CD1-CD1 4.37Å
15V85.5Confident80.9Confident57 Ų5776.6 Ų76.635%0.34542%0.422SS..G310 helixtrans-64.3-11.1-178.7-51.10000114.1S13 D17 Y21 Y153S13-V15 PolarHBondContact O-N 3.04Å; S13-V15 WeakPolarHBondContact OG-CG2 3.44Å; V15-D17 VanDerWaalsContact C-N 3.29Å; V15-Y21 HydrophobicContact CG1-CD2 4.29Å; V15-Y21 HydrophobicContact CG1-CE2 4.35Å; V15-Y153 HydrophobicContact CG1-CE1 4.18Å
16H87.7Confident83.5Confident136 Ų13678.9 Ų78.963%0.6342%0.416SS*.G310 helixtrans-79.1-11174-67.7-47.6000113.6S13 L14S13-H16 WeakPolarHBondContact O-CB 3.38Å; S13-H16 PolarHBondContact O-N 3.42Å; L14-H16 PolarHBondContact O-N 2.79Å
17D90.9Very high86.2Confident62 Ų6271.3 Ų71.333%0.33238%0.377SS..  trans-121.696.9173.5-167.4-45.6000109.4L14 V15 D19 R20 Y21 L254L14-D17 PolarHBondContact O-N 3.38Å; V15-D17 VanDerWaalsContact C-N 3.29Å; D17-D19 PolarHBondContact O-N 3.16Å; D17-D19 PolarHBondContact OD1-N 3.25Å; D17-R20 HydrophobicContact CB-CB 4.08Å; D17-R20 PolarHBondContact O-N 3.31Å; D17-R20 WeakPolarHBondContact OD1-CB 3.36Å; D17-R20 PolarHBondContact OD1-N 3.3Å; D17-Y21 VanDerWaalsContact O-CB 3.26Å; D17-Y21 WeakPolarHBondContact O-CB 3.43Å; D17-Y21 PolarHBondContact O-N 3.18Å; D17-L254 HydrophobicContact CB-CD1 3.82Å; D17-L254 HydrophobicContact CB-CD2 4.14Å
18D87.9Confident88.6Confident91 Ų9163.1 Ų63.149%0.48734%0.337SS..Hα-helixtrans-62.3-42.8-174.5-173.863.5000112.2R20 Y21 Q22D18-R20 PolarHBondContact O-N 3.25Å; D18-Y21 PolarHBondContact O-N 2.63Å; D18-Q22 WeakPolarHBondContact O-CB 3.42Å; D18-Q22 WeakPolarHBondContact O-CG 3.34Å; D18-Q22 PolarHBondContact O-N 3.35Å
19D92.3Very high90.5Very high102 Ų10262 Ų6255%0.54532%0.316SS..Hα-helixtrans-61.2-48179.217977000110.8D17 Q22 R23D17-D19 PolarHBondContact O-N 3.16Å; D17-D19 PolarHBondContact OD1-N 3.25Å; D19-Q22 PolarHBondContact O-N 3.08Å; D19-R23 VanDerWaalsContact O-CG 3.31Å; D19-R23 WeakPolarHBondContact O-CG 3.45Å; D19-R23 PolarHBondContact O-N 3.44Å; D19-R23 WeakPolarHBondContact OD2-CD 3.2Å; D19-R23 IonicContact OD2-NH1 3.96Å
20R94.7Very high92.2Very high32 Ų3263.2 Ų63.212%0.12131%0.31CS..Hα-helixtrans-68.8-41.6-178.9-166172174.296.95.7112.1L14 D17 D18 Q22 R23 S24 L245 D248 L254 D255L14-R20 HydrophobicContact CD1-CB 4.35Å; L14-R20 HydrophobicContact CD1-CG 4.09Å; D17-R20 HydrophobicContact CB-CB 4.08Å; D17-R20 PolarHBondContact O-N 3.31Å; D17-R20 WeakPolarHBondContact OD1-CB 3.36Å; D17-R20 PolarHBondContact OD1-N 3.3Å; D18-R20 PolarHBondContact O-N 3.25Å; R20-Q22 VanDerWaalsContact C-N 3.33Å; R20-Q22 PolarHBondContact O-N 2.82Å; R20-R23 PolarHBondContact O-N 2.89Å; R20-S24 WeakPolarHBondContact O-CB 3.24Å; R20-S24 PolarHBondContact O-N 3.07Å; R20-S24 PolarHBondContact O-OG 3.37Å; R20-L245 HydrophobicContact CG-CD2 4.09Å; R20-D248 IonicContact CZ-OD2 3.83Å; R20-D248 IonicContact NE-OD2 3.95Å; R20-D248 PolarHBondContact NE-OD2 3.04Å; R20-D248 IonicContact NH2-OD1 2.87Å; R20-D248 IonicContact NH2-OD2 3.85Å; R20-D248 PolarHBondContact NH2-OD2 3.23Å; R20-L254 HydrophobicContact CB-CD1 4.5Å; R20-L254 VanDerWaalsContact CD-CD1 3.41Å; R20-L254 HydrophobicContact CG-CD1 4.45Å; R20-D255 IonicContact CZ-OD1 3.96Å; R20-D255 IonicContact NE-OD1 3.27Å; R20-D255 IonicContact NH1-OD1 3.21Å; R20-D255 PolarHBondContact NH1-OD1 3.11Å; R20-D255 IonicContact NH2-OD1 2.92Å; R20-D255 PolarHBondContact NH2-OD1 3.17Å
21Y91.9Very high92.9Very high37 Ų3760.1 Ų60.115%0.14528%0.283CS..Hα-helixtrans-55.6-48.7172.7175-94000111L14 V15 D17 D18 R23 S24 F25 Y153L14-Y21 HydrophobicContact CD2-CD2 3.96Å; L14-Y21 HydrophobicContact CG-CD2 3.97Å; V15-Y21 HydrophobicContact CG1-CD2 4.29Å; V15-Y21 HydrophobicContact CG1-CE2 4.35Å; D17-Y21 VanDerWaalsContact O-CB 3.26Å; D17-Y21 WeakPolarHBondContact O-CB 3.43Å; D17-Y21 PolarHBondContact O-N 3.18Å; D18-Y21 PolarHBondContact O-N 2.63Å; Y21-R23 PolarHBondContact O-N 3.49Å; Y21-S24 PolarHBondContact O-N 2.67Å; Y21-F25 HydrophobicContact CE1-CB 4.49Å; Y21-F25 VanDerWaalsContact O-CB 3.28Å; Y21-F25 WeakPolarHBondContact O-CB 3.45Å; Y21-F25 PolarHBondContact O-N 2.88Å; Y21-Y153 PolarHBondContact OH-OH 2.56Å; Y21-Y153 VanDerWaalsContact OH-OH 3.04Å
22Q91.1Very high93.3Very high25 Ų2558.7 Ų58.712%0.11728%0.277CS..Hα-helixtrans-62.4-41.5179.6-70.1-56.7-36.900112.1D18 D19 R20 F25 H26D18-Q22 WeakPolarHBondContact O-CB 3.42Å; D18-Q22 WeakPolarHBondContact O-CG 3.34Å; D18-Q22 PolarHBondContact O-N 3.35Å; D19-Q22 PolarHBondContact O-N 3.08Å; R20-Q22 VanDerWaalsContact C-N 3.33Å; R20-Q22 PolarHBondContact O-N 2.82Å; Q22-F25 PolarHBondContact O-N 3.3Å; Q22-H26 WeakPolarHBondContact O-CB 3.42Å; Q22-H26 PolarHBondContact O-N 3.11Å; Q22-H26 PolarHBondContact O-ND1 2.99Å
23R95.9Very high93.6Very high117 Ų11753.6 Ų53.644%0.44226%0.26SS..Hα-helixtrans-64.7-45.4177.2-71.9172.361.7-162-2.8112.2D19 R20 Y21 H26 L27 L245D19-R23 VanDerWaalsContact O-CG 3.31Å; D19-R23 WeakPolarHBondContact O-CG 3.45Å; D19-R23 PolarHBondContact O-N 3.44Å; D19-R23 WeakPolarHBondContact OD2-CD 3.2Å; D19-R23 IonicContact OD2-NH1 3.96Å; R20-R23 PolarHBondContact O-N 2.89Å; Y21-R23 PolarHBondContact O-N 3.49Å; R23-H26 PolarHBondContact O-N 3.24Å; R23-L27 WeakPolarHBondContact O-CB 3.44Å; R23-L27 PolarHBondContact O-N 3.47Å; R23-L245 HydrophobicContact CB-CD2 4.43Å
24S96.8Very high93.9Very high0 Ų053.4 Ų53.40%026%0.258CS..Hα-helixtrans-60.9-45.3175.1-780000111.7R20 Y21 L27 F28 L245R20-S24 WeakPolarHBondContact O-CB 3.24Å; R20-S24 PolarHBondContact O-N 3.07Å; R20-S24 PolarHBondContact O-OG 3.37Å; Y21-S24 PolarHBondContact O-N 2.67Å; S24-L27 PolarHBondContact O-N 3.3Å; S24-F28 WeakPolarHBondContact O-CB 3.29Å; S24-F28 PolarHBondContact O-N 2.84Å; S24-L245 WeakPolarHBondContact CB-O 3.17Å; S24-L245 PolarHBondContact OG-O 3.46Å
25F94.1Very high94.1Very high45 Ų4555.3 Ų55.320%0.19727%0.267CS..Hα-helixtrans-63.9-44.9177.7178.8-112.6000112.6Y21 Q22 L27 F28 L29 F249Y21-F25 HydrophobicContact CE1-CB 4.49Å; Y21-F25 VanDerWaalsContact O-CB 3.28Å; Y21-F25 WeakPolarHBondContact O-CB 3.45Å; Y21-F25 PolarHBondContact O-N 2.88Å; Q22-F25 PolarHBondContact O-N 3.3Å; F25-L27 VanDerWaalsContact C-N 3.33Å; F25-L27 PolarHBondContact O-N 3.22Å; F25-F28 HydrophobicContact CD2-CD1 4.02Å; F25-F28 HydrophobicContact CE2-CD1 4.14Å; F25-F28 HydrophobicContact CE2-CE1 4.32Å; F25-F28 WeakPolarHBondContact O-CB 3.49Å; F25-F28 PolarHBondContact O-N 3.1Å; F25-L29 HydrophobicContact CD1-CD1 4.17Å; F25-L29 HydrophobicContact CE1-CD1 3.55Å; F25-L29 HydrophobicContact CE1-CG 4.26Å; F25-L29 HydrophobicContact CE2-CD1 4.32Å; F25-L29 HydrophobicContact CE2-CD2 4.26Å; F25-L29 HydrophobicContact CE2-CG 4.2Å; F25-L29 HydrophobicContact CZ-CD1 3.64Å; F25-L29 HydrophobicContact CZ-CD2 4.18Å; F25-L29 HydrophobicContact CZ-CG 4.02Å; F25-L29 WeakPolarHBondContact O-CG 3.02Å; F25-L29 PolarHBondContact O-N 3.06Å; F25-F249 HydrophobicContact CB-CE2 4.32Å; F25-F249 AromaticContact CD2-CE2 3.98Å; F25-F249 HydrophobicContact CD2-CE2 3.98Å; F25-F249 HydrophobicContact CD2-CZ 4.13Å
26H94.9Very high94.7Very high112 Ų11257.2 Ų57.252%0.51927%0.272SS..Hα-helixtrans-61.1-42.7175.9-82.480.9000111.8Q22 R23 L29 E30Q22-H26 WeakPolarHBondContact O-CB 3.42Å; Q22-H26 PolarHBondContact O-N 3.11Å; Q22-H26 PolarHBondContact O-ND1 2.99Å; R23-H26 PolarHBondContact O-N 3.24Å; H26-L29 PolarHBondContact O-N 3.12Å; H26-E30 PolarHBondContact O-N 2.95Å
27L98Very high95.2Very high12 Ų1251.1 Ų51.16%0.06324%0.244CC..Hα-helixtrans-65.5-40177.1-178.863.1000111.7R23 S24 F25 L29 E30 R31 K242 L245 L246R23-L27 WeakPolarHBondContact O-CB 3.44Å; R23-L27 PolarHBondContact O-N 3.47Å; S24-L27 PolarHBondContact O-N 3.3Å; F25-L27 VanDerWaalsContact C-N 3.33Å; F25-L27 PolarHBondContact O-N 3.22Å; L27-L29 VanDerWaalsContact C-N 3.34Å; L27-L29 PolarHBondContact O-N 2.89Å; L27-E30 PolarHBondContact O-N 3.12Å; L27-R31 HydrophobicContact CD1-CG 3.96Å; L27-R31 HydrophobicContact CG-CG 4.39Å; L27-R31 WeakPolarHBondContact O-CB 3.21Å; L27-R31 WeakPolarHBondContact O-CG 3.41Å; L27-R31 PolarHBondContact O-N 3.13Å; L27-K242 HydrophobicContact CD1-CD 4.13Å; L27-K242 HydrophobicContact CD1-CG 4.27Å; L27-K242 HydrophobicContact CD2-CB 3.81Å; L27-K242 HydrophobicContact CD2-CG 4.15Å; L27-K242 WeakPolarHBondContact CD2-O 3.46Å; L27-L245 HydrophobicContact CD2-CB 3.79Å; L27-L245 HydrophobicContact CD2-CD1 4.22Å; L27-L246 HydrophobicContact CB-CD2 4.36Å; L27-L246 HydrophobicContact CD2-CD2 3.85Å; L27-L246 HydrophobicContact CD2-CG 3.78Å; L27-L246 HydrophobicContact CG-CD2 3.74Å; L27-L246 HydrophobicContact CG-CG 4.15Å
28F97.7Very high95.5Very high9 Ų948.3 Ų48.34%0.03923%0.229CC..Hα-helixtrans-56.4-47.4171.9156.2-107.2000111.4S24 F25 E30 R31 S32 E34 M230 F249S24-F28 WeakPolarHBondContact O-CB 3.29Å; S24-F28 PolarHBondContact O-N 2.84Å; F25-F28 HydrophobicContact CD2-CD1 4.02Å; F25-F28 HydrophobicContact CE2-CD1 4.14Å; F25-F28 HydrophobicContact CE2-CE1 4.32Å; F25-F28 WeakPolarHBondContact O-CB 3.49Å; F25-F28 PolarHBondContact O-N 3.1Å; F28-E30 VanDerWaalsContact C-N 3.35Å; F28-E30 PolarHBondContact O-N 3.31Å; F28-R31 CarbonylContact O-C 3.52Å; F28-R31 PolarHBondContact O-N 2.67Å; F28-S32 WeakPolarHBondContact O-CB 3.31Å; F28-S32 PolarHBondContact O-N 3.42Å; F28-S32 PolarHBondContact O-OG 3.05Å; F28-E34 HydrophobicContact CE1-CB 4.08Å; F28-E34 HydrophobicContact CE1-CG 3.76Å; F28-E34 HydrophobicContact CZ-CB 3.83Å; F28-E34 HydrophobicContact CZ-CG 3.71Å; F28-M230 HydrophobicContact CB-CE 4.46Å; F28-M230 HydrophobicContact CD2-CE 3.87Å; F28-M230 HydrophobicContact CD2-CG 4.3Å; F28-M230 HydrophobicContact CD2-SD 3.73Å; F28-M230 HydrophobicContact CE2-SD 4.09Å; F28-F249 HydrophobicContact CB-CD1 3.79Å; F28-F249 HydrophobicContact CB-CE1 3.75Å; F28-F249 HydrophobicContact CB-CG 4.25Å; F28-F249 HydrophobicContact CB-CZ 4.18Å; F28-F249 AromaticContact CD1-CE1 3.63Å; F28-F249 HydrophobicContact CD1-CE1 3.63Å; F28-F249 AromaticContact CD1-CZ 3.63Å; F28-F249 HydrophobicContact CD1-CZ 3.63Å; F28-F249 HydrophobicContact CD2-CD1 4Å; F28-F249 AromaticContact CD2-CE1 3.54Å; F28-F249 HydrophobicContact CD2-CE1 3.54Å; F28-F249 HydrophobicContact CD2-CZ 4.38Å; F28-F249 HydrophobicContact CE1-CE1 4.06Å; F28-F249 HydrophobicContact CE1-CZ 4.06Å; F28-F249 AromaticContact CE2-CE1 3.99Å; F28-F249 HydrophobicContact CE2-CE1 3.99Å; F28-F249 AromaticContact CG-CD1 3.85Å; F28-F249 HydrophobicContact CG-CD1 3.85Å; F28-F249 AromaticContact CG-CE1 3.33Å; F28-F249 HydrophobicContact CG-CE1 3.33Å; F28-F249 AromaticContact CG-CZ 3.79Å; F28-F249 HydrophobicContact CG-CZ 3.79Å; F28-F249 HydrophobicContact CZ-CE1 4.22Å
29L95.8Very high96Very high39 Ų3947.7 Ų47.720%0.20422%0.22CC..Hα-helixtrans-64.1-37.7177.3-67.4-179.3000112.5F25 H26 L27 R31 E34F25-L29 HydrophobicContact CD1-CD1 4.17Å; F25-L29 HydrophobicContact CE1-CD1 3.55Å; F25-L29 HydrophobicContact CE1-CG 4.26Å; F25-L29 HydrophobicContact CE2-CD1 4.32Å; F25-L29 HydrophobicContact CE2-CD2 4.26Å; F25-L29 HydrophobicContact CE2-CG 4.2Å; F25-L29 HydrophobicContact CZ-CD1 3.64Å; F25-L29 HydrophobicContact CZ-CD2 4.18Å; F25-L29 HydrophobicContact CZ-CG 4.02Å; F25-L29 WeakPolarHBondContact O-CG 3.02Å; F25-L29 PolarHBondContact O-N 3.06Å; H26-L29 PolarHBondContact O-N 3.12Å; L27-L29 VanDerWaalsContact C-N 3.34Å; L27-L29 PolarHBondContact O-N 2.89Å; L29-R31 VanDerWaalsContact C-N 3.31Å; L29-R31 PolarHBondContact O-N 2.6Å; L29-E34 HydrophobicContact CD2-CB 4.01Å; L29-E34 HydrophobicContact CD2-CG 3.9Å
30E97.2Very high96.3Very high132 Ų13246.8 Ų46.862%0.61722%0.216SC*.Hα-helixtrans-64-36.6175.1-175.5-169.9141.200111.9H26 L27 F28 K242H26-E30 PolarHBondContact O-N 2.95Å; L27-E30 PolarHBondContact O-N 3.12Å; F28-E30 VanDerWaalsContact C-N 3.35Å; F28-E30 PolarHBondContact O-N 3.31Å; E30-K242 IonicContact OE1-NZ 3.76Å
31R97.5Very high96.5Very high51 Ų5145.7 Ų45.719%0.19221%0.212CC..Hα-helixtrans-972.4-173.6-65.7-62.7-172.9130.813.6114.4L27 F28 L29 M230 D231 E234 K242L27-R31 HydrophobicContact CD1-CG 3.96Å; L27-R31 HydrophobicContact CG-CG 4.39Å; L27-R31 WeakPolarHBondContact O-CB 3.21Å; L27-R31 WeakPolarHBondContact O-CG 3.41Å; L27-R31 PolarHBondContact O-N 3.13Å; F28-R31 CarbonylContact O-C 3.52Å; F28-R31 PolarHBondContact O-N 2.67Å; L29-R31 VanDerWaalsContact C-N 3.31Å; L29-R31 PolarHBondContact O-N 2.6Å; R31-M230 CarbonylContact O-C 3.19Å; R31-M230 WeakPolarHBondContact O-CA 3.36Å; R31-D231 PolarHBondContact O-N 2.98Å; R31-E234 IonicContact CZ-OE1 2.61Å; R31-E234 IonicContact CZ-OE2 3.2Å; R31-E234 IonicContact NH1-OE1 3.71Å; R31-E234 PolarHBondContact NH1-OE1 2.87Å; R31-E234 IonicContact NH1-OE2 2.85Å; R31-E234 PolarHBondContact NH1-OE2 2.78Å; R31-E234 IonicContact NH2-OE1 3.2Å; R31-E234 PolarHBondContact NH2-OE1 3.38Å; R31-E234 IonicContact NH2-OE2 2.66Å; R31-K242 VanDerWaalsContact NH2-CD 3.26Å
32S97.9Very high96.8Very high21 Ų2144 Ų4415%0.14721%0.205CC..BIsolated β-bridgetrans-126.9161.6-177.8680000113F28 E34 Q229F28-S32 WeakPolarHBondContact O-CB 3.31Å; F28-S32 PolarHBondContact O-N 3.42Å; F28-S32 PolarHBondContact O-OG 3.05Å; S32-E34 PolarHBondContact O-N 2.92Å; S32-E34 VanDerWaalsContact OG-CB 3.25Å; S32-E34 WeakPolarHBondContact OG-CB 3.45Å; S32-E34 PolarHBondContact OG-N 3.01Å; S32-Q229 CarbonylContact C-O 3.59Å; S32-Q229 WeakPolarHBondContact CA-O 3.4Å; S32-Q229 VanDerWaalsContact CB-O 3.3Å; S32-Q229 WeakPolarHBondContact CB-O 3.43Å
33S97.6Very high97.1Very high37 Ų3747 Ų4726%0.25922%0.219SC..SBendtrans-87.521.4168.660.20000112.6Q36 C37 S228 Q229S33-Q36 PolarHBondContact O-N 3.03Å; S33-C37 PolarHBondContact O-N 3.09Å; S33-S228 VanDerWaalsContact OG-CA 3.23Å; S33-S228 WeakPolarHBondContact OG-CA 3.22Å; S33-S228 PolarHBondContact OG-OG 3.2Å; S33-Q229 PolarHBondContact N-O 3.11Å; S33-Q229 PolarHBondContact OG-N 2.92Å; S33-Q229 PolarHBondContact OG-O 3.27Å
34E96.5Very high97.2Very high5 Ų544.6 Ų44.62%0.02322%0.22CC..Hα-helixtrans-52.1-65.5-174.1-178.470.9-174.800112.4F28 L29 S32 Q36 C37 M38 Q149 N289F28-E34 HydrophobicContact CE1-CB 4.08Å; F28-E34 HydrophobicContact CE1-CG 3.76Å; F28-E34 HydrophobicContact CZ-CB 3.83Å; F28-E34 HydrophobicContact CZ-CG 3.71Å; L29-E34 HydrophobicContact CD2-CB 4.01Å; L29-E34 HydrophobicContact CD2-CG 3.9Å; S32-E34 PolarHBondContact O-N 2.92Å; S32-E34 VanDerWaalsContact OG-CB 3.25Å; S32-E34 WeakPolarHBondContact OG-CB 3.45Å; S32-E34 PolarHBondContact OG-N 3.01Å; E34-Q36 PolarHBondContact O-N 3.26Å; E34-C37 PolarHBondContact O-N 3.25Å; E34-C37 PolarHBondContact O-SG 2.9Å; E34-M38 HydrophobicContact CG-CE 4.02Å; E34-M38 WeakPolarHBondContact O-CG 3.43Å; E34-M38 PolarHBondContact O-N 3.47Å; E34-M38 WeakPolarHBondContact OE1-CE 3.34Å; E34-Q149 PolarHBondContact OE1-NE2 3.15Å; E34-N289 PolarHBondContact OE2-ND2 2.81Å
35H95.3Very high97.3Very high40 Ų4049.7 Ų49.719%0.18524%0.242CC..Hα-helixtrans-66.7-27.4179.4-75.5-178.6000112.4R39 I72H35-R39 WeakPolarHBondContact O-CB 3.4Å; H35-R39 VanDerWaalsContact O-CG 3.25Å; H35-R39 WeakPolarHBondContact O-CG 3.44Å; H35-R39 PolarHBondContact O-N 3.11Å; H35-I72 HydrophobicContact CB-CD1 4.47Å
36Q97.6Very high97.5Very high97 Ų9747.5 Ų47.545%0.45323%0.233SC..Hα-helixtrans-65.8-51.1177.5-175.859.450.100111S33 E34 M38 R39 D40S33-Q36 PolarHBondContact O-N 3.03Å; E34-Q36 PolarHBondContact O-N 3.26Å; Q36-M38 VanDerWaalsContact C-N 3.28Å; Q36-M38 PolarHBondContact O-N 2.84Å; Q36-R39 PolarHBondContact O-N 2.87Å; Q36-R39 VanDerWaalsContact O-N 3.15Å; Q36-D40 PolarHBondContact NE2-OD1 3.38Å; Q36-D40 VanDerWaalsContact O-CG 3.26Å; Q36-D40 PolarHBondContact O-N 2.65Å
37C97.8Very high97.6Very high7 Ų742.7 Ų42.75%0.04721%0.212CC..Hα-helixtrans-65.2-33.3-178.975.10000112.2S33 E34 F41 L226 P227 L291S33-C37 PolarHBondContact O-N 3.09Å; E34-C37 PolarHBondContact O-N 3.25Å; E34-C37 PolarHBondContact O-SG 2.9Å; C37-F41 PolarHBondContact O-N 3.44Å; C37-F41 VanDerWaalsContact O-N 3.09Å; C37-L226 HydrophobicContact CB-CB 4.33Å; C37-P227 WeakPolarHBondContact CB-O 3.47Å; C37-L291 VanDerWaalsContact SG-CD1 3.55Å
38M98.1Very high97.6Very high3 Ų347.3 Ų47.32%0.01524%0.236CC..Hα-helixtrans-64.3-46.8172-68.9-178.2-17100111.7E34 Q36 D40 F41 I42 I72 I148 Q149 I177 L291E34-M38 HydrophobicContact CG-CE 4.02Å; E34-M38 WeakPolarHBondContact O-CG 3.43Å; E34-M38 PolarHBondContact O-N 3.47Å; E34-M38 WeakPolarHBondContact OE1-CE 3.34Å; Q36-M38 VanDerWaalsContact C-N 3.28Å; Q36-M38 PolarHBondContact O-N 2.84Å; M38-D40 VanDerWaalsContact C-N 3.33Å; M38-D40 PolarHBondContact O-N 2.84Å; M38-F41 PolarHBondContact O-N 3.35Å; M38-I42 WeakPolarHBondContact O-CB 3.4Å; M38-I42 WeakPolarHBondContact O-CD1 3.27Å; M38-I42 WeakPolarHBondContact O-CG1 3.5Å; M38-I42 PolarHBondContact O-N 3.2Å; M38-I72 HydrophobicContact CB-CD1 4.14Å; M38-I72 HydrophobicContact SD-CD1 4.11Å; M38-I72 HydrophobicContact SD-CG1 4.05Å; M38-I72 HydrophobicContact SD-CG2 4.45Å; M38-I148 HydrophobicContact CE-CG2 3.96Å; M38-I148 HydrophobicContact SD-CG2 3.88Å; M38-Q149 HydrophobicContact CE-CG 3.54Å; M38-I177 HydrophobicContact CE-CG2 4.13Å; M38-I177 HydrophobicContact CG-CD1 4.43Å; M38-L291 HydrophobicContact CE-CD1 3.56Å; M38-L291 HydrophobicContact CG-CD1 4.1Å
39R98.2Very high97.5Very high78 Ų7848 Ų4829%0.29424%0.24SC..Hα-helixtrans-61.1-42.5176.6-74.7176.1-168.7129.53111.7H35 Q36 F41 I42 H43 E75H35-R39 WeakPolarHBondContact O-CB 3.4Å; H35-R39 VanDerWaalsContact O-CG 3.25Å; H35-R39 WeakPolarHBondContact O-CG 3.44Å; H35-R39 PolarHBondContact O-N 3.11Å; Q36-R39 PolarHBondContact O-N 2.87Å; Q36-R39 VanDerWaalsContact O-N 3.15Å; R39-F41 VanDerWaalsContact C-N 3.31Å; R39-F41 PolarHBondContact O-N 2.93Å; R39-I42 PolarHBondContact O-N 2.63Å; R39-I42 VanDerWaalsContact O-N 3.11Å; R39-H43 PolarHBondContact O-N 3.41Å; R39-E75 IonicContact NE-OE1 2.65Å
40D98.3Very high97.6Very high84 Ų8446.1 Ų46.145%0.44923%0.23SC..Hα-helixtrans-58.8-44176.9-66.5-21.4000111.1Q36 M38 S44Q36-D40 PolarHBondContact NE2-OD1 3.38Å; Q36-D40 VanDerWaalsContact O-CG 3.26Å; Q36-D40 PolarHBondContact O-N 2.65Å; M38-D40 VanDerWaalsContact C-N 3.33Å; M38-D40 PolarHBondContact O-N 2.84Å; D40-S44 WeakPolarHBondContact O-CB 3.46Å; D40-S44 PolarHBondContact O-N 3.06Å; D40-S44 PolarHBondContact O-OG 2.93Å
41F98.5Very high97.4Very high8 Ų843.3 Ų43.34%0.03523%0.225CC..Hα-helixtrans-62.6-45.9173169.1-96.3000112.3C37 M38 R39 H43 S44 K45 L46 I49 L175 F224 L226 V293C37-F41 PolarHBondContact O-N 3.44Å; C37-F41 VanDerWaalsContact O-N 3.09Å; M38-F41 PolarHBondContact O-N 3.35Å; R39-F41 VanDerWaalsContact C-N 3.31Å; R39-F41 PolarHBondContact O-N 2.93Å; F41-H43 VanDerWaalsContact C-N 3.33Å; F41-H43 PolarHBondContact O-N 2.84Å; F41-S44 PolarHBondContact O-N 2.89Å; F41-K45 HydrophobicContact CD2-CB 3.66Å; F41-K45 HydrophobicContact CD2-CG 4.06Å; F41-K45 HydrophobicContact CE2-CB 3.58Å; F41-K45 HydrophobicContact CE2-CG 4.34Å; F41-K45 HydrophobicContact CZ-CB 4.42Å; F41-K45 PolarHBondContact O-N 2.88Å; F41-L46 HydrophobicContact CE1-CB 4Å; F41-L46 HydrophobicContact CE1-CD1 4.25Å; F41-L46 HydrophobicContact CZ-CB 4.38Å; F41-L46 PolarHBondContact O-N 3.5Å; F41-I49 HydrophobicContact CE2-CD1 4.24Å; F41-I49 HydrophobicContact CZ-CD1 3.73Å; F41-L175 HydrophobicContact CE1-CD1 4.01Å; F41-L175 HydrophobicContact CE1-CD2 4.34Å; F41-L175 HydrophobicContact CZ-CD1 4.06Å; F41-F224 HydrophobicContact CD2-CB 4.41Å; F41-F224 HydrophobicContact CD2-CG 4.46Å; F41-F224 HydrophobicContact CE2-CB 4.25Å; F41-F224 AromaticContact CE2-CD2 3.75Å; F41-F224 HydrophobicContact CE2-CD2 3.75Å; F41-F224 HydrophobicContact CE2-CE2 4.23Å; F41-F224 AromaticContact CE2-CG 3.91Å; F41-F224 HydrophobicContact CE2-CG 3.91Å; F41-F224 HydrophobicContact CZ-CD2 4.43Å; F41-L226 HydrophobicContact CB-CD1 4.18Å; F41-L226 HydrophobicContact CB-CD2 3.87Å; F41-L226 HydrophobicContact CB-CG 4.11Å; F41-L226 HydrophobicContact CD2-CD1 4.13Å; F41-L226 HydrophobicContact CG-CD1 4.3Å; F41-L226 HydrophobicContact CG-CD2 4.38Å; F41-V293 HydrophobicContact CD1-CG2 3.98Å; F41-V293 HydrophobicContact CD2-CG2 3.89Å; F41-V293 HydrophobicContact CE1-CG1 4.08Å; F41-V293 HydrophobicContact CE1-CG2 4Å; F41-V293 HydrophobicContact CE2-CB 4.2Å; F41-V293 HydrophobicContact CE2-CG1 3.99Å; F41-V293 HydrophobicContact CE2-CG2 3.9Å; F41-V293 HydrophobicContact CG-CG2 3.94Å; F41-V293 HydrophobicContact CZ-CB 4.25Å; F41-V293 HydrophobicContact CZ-CG1 3.61Å; F41-V293 HydrophobicContact CZ-CG2 3.98Å
42I98.5Very high97.1Very high1 Ų143.1 Ų43.11%0.00523%0.232CC..Hα-helixtrans-61.5-40.8-178.7-71.2163.7000111.3M38 R39 L46 P47 I72 E75 M76 E79M38-I42 WeakPolarHBondContact O-CB 3.4Å; M38-I42 WeakPolarHBondContact O-CD1 3.27Å; M38-I42 WeakPolarHBondContact O-CG1 3.5Å; M38-I42 PolarHBondContact O-N 3.2Å; R39-I42 PolarHBondContact O-N 2.63Å; R39-I42 VanDerWaalsContact O-N 3.11Å; I42-L46 HydrophobicContact CB-CD2 4.34Å; I42-L46 HydrophobicContact CG1-CD2 4.04Å; I42-L46 HydrophobicContact CG2-CD2 4.07Å; I42-L46 WeakPolarHBondContact O-CB 3.27Å; I42-P47 VanDerWaalsContact O-CD 3.24Å; I42-P47 WeakPolarHBondContact O-CD 3.42Å; I42-I72 HydrophobicContact CD1-CG2 3.77Å; I42-E75 HydrophobicContact CD1-CB 4.17Å; I42-E75 HydrophobicContact CG2-CB 4.1Å; I42-M76 HydrophobicContact CD1-CG 3.74Å; I42-M76 HydrophobicContact CG1-CG 3.9Å; I42-M76 HydrophobicContact CG2-CG 4.4Å; I42-E79 HydrophobicContact CG2-CG 3.76Å
43H98.2Very high96.9Very high88 Ų8842.2 Ų42.241%0.40723%0.225SC..Hα-helixtrans-84.7-22.7-178.1-60.4158.6000113.2R39 F41 E75 E79R39-H43 PolarHBondContact O-N 3.41Å; F41-H43 VanDerWaalsContact C-N 3.33Å; F41-H43 PolarHBondContact O-N 2.84Å; H43-E75 IonicContact CE1-OE2 3.41Å; H43-E75 IonicContact NE2-OE2 2.85Å; H43-E75 PolarHBondContact NE2-OE2 2.63Å; H43-E79 IonicContact CD2-OE1 3.83Å
44S97.1Very high96.1Very high68 Ų6840.5 Ų40.548%0.47621%0.214SC..Hα-helixtrans-107.3-29-173.771.40000115.9D40 F41D40-S44 WeakPolarHBondContact O-CB 3.46Å; D40-S44 PolarHBondContact O-N 3.06Å; D40-S44 PolarHBondContact O-OG 2.93Å; F41-S44 PolarHBondContact O-N 2.89Å
45K98Very high95.6Very high106 Ų10645 Ų4546%0.46124%0.238SC..THydrogen-bonded Turntrans-122.7-41.8-173.2-59.8-57.6178.1-172.80113.2F41 P47 D48 F224F41-K45 HydrophobicContact CD2-CB 3.66Å; F41-K45 HydrophobicContact CD2-CG 4.06Å; F41-K45 HydrophobicContact CE2-CB 3.58Å; F41-K45 HydrophobicContact CE2-CG 4.34Å; F41-K45 HydrophobicContact CZ-CB 4.42Å; F41-K45 PolarHBondContact O-N 2.88Å; K45-P47 VanDerWaalsContact C-N 3.29Å; K45-D48 PolarHBondContact O-N 2.77Å; K45-F224 HydrophobicContact CG-CD1 4.49Å
46L98.3Very high95.2Very high0 Ų047 Ų470%027%0.269CS..Hα-helixtrans-54.2-36.4177.9-172.762.6000114F41 I42 D48 I49 L50 M76 F144 L175F41-L46 HydrophobicContact CE1-CB 4Å; F41-L46 HydrophobicContact CE1-CD1 4.25Å; F41-L46 HydrophobicContact CZ-CB 4.38Å; F41-L46 PolarHBondContact O-N 3.5Å; I42-L46 HydrophobicContact CB-CD2 4.34Å; I42-L46 HydrophobicContact CG1-CD2 4.04Å; I42-L46 HydrophobicContact CG2-CD2 4.07Å; I42-L46 WeakPolarHBondContact O-CB 3.27Å; L46-D48 PolarHBondContact O-N 3.47Å; L46-D48 VanDerWaalsContact O-N 3.16Å; L46-I49 HydrophobicContact CD1-CB 4.29Å; L46-I49 HydrophobicContact CD1-CD1 4.39Å; L46-I49 HydrophobicContact CD1-CG2 4.37Å; L46-I49 WeakPolarHBondContact O-CB 3.33Å; L46-I49 PolarHBondContact O-N 3.18Å; L46-L50 HydrophobicContact CD1-CD1 4.35Å; L46-L50 HydrophobicContact CD1-CD2 4Å; L46-L50 HydrophobicContact CD1-CG 3.92Å; L46-L50 HydrophobicContact CD2-CD1 4.06Å; L46-L50 HydrophobicContact CG-CD1 3.74Å; L46-L50 HydrophobicContact CG-CD2 4.3Å; L46-L50 HydrophobicContact CG-CG 3.79Å; L46-L50 WeakPolarHBondContact O-CG 3.42Å; L46-L50 PolarHBondContact O-N 3.29Å; L46-M76 HydrophobicContact CD2-CB 3.97Å; L46-M76 HydrophobicContact CD2-CG 3.58Å; L46-M76 HydrophobicContact CD2-SD 4.17Å; L46-F144 HydrophobicContact CD1-CE2 4.49Å; L46-F144 HydrophobicContact CD1-CZ 4.22Å; L46-L175 HydrophobicContact CD1-CD2 4.24Å
47P97.8Very high95Very high11 Ų1145.6 Ų45.67%0.07126%0.262CS..Hα-helixtrans-63.4-28.7-176.1-20.734.6000112.7I42 K45 S51 E79 K83I42-P47 VanDerWaalsContact O-CD 3.24Å; I42-P47 WeakPolarHBondContact O-CD 3.42Å; K45-P47 VanDerWaalsContact C-N 3.29Å; P47-S51 PolarHBondContact O-N 3.5Å; P47-E79 HydrophobicContact CG-CG 4.5Å; P47-K83 HydrophobicContact CB-CD 4.29Å; P47-K83 HydrophobicContact CB-CG 4.22Å; P47-K83 WeakPolarHBondContact O-CD 3.11Å; P47-K83 WeakPolarHBondContact O-CE 3.19Å
48D96.9Very high94.9Very high109 Ų10950 Ų5058%0.58329%0.293SS*.Hα-helixtrans-75.2-38.5175.1-68.3-18.4000111.5K45 L46 S51K45-D48 PolarHBondContact O-N 2.77Å; L46-D48 PolarHBondContact O-N 3.47Å; L46-D48 VanDerWaalsContact O-N 3.16Å; D48-S51 WeakPolarHBondContact O-CB 3.27Å; D48-S51 PolarHBondContact O-N 2.96Å; D48-S51 PolarHBondContact O-OG 3.02Å
49I96.8Very high94.9Very high23 Ų2352.8 Ų52.812%0.11831%0.306CS..Hα-helixtrans-60.7-47.7174.3-66.5157.3000110.1F41 L46 S51 S52 K173 F224 V295F41-I49 HydrophobicContact CE2-CD1 4.24Å; F41-I49 HydrophobicContact CZ-CD1 3.73Å; L46-I49 HydrophobicContact CD1-CB 4.29Å; L46-I49 HydrophobicContact CD1-CD1 4.39Å; L46-I49 HydrophobicContact CD1-CG2 4.37Å; L46-I49 WeakPolarHBondContact O-CB 3.33Å; L46-I49 PolarHBondContact O-N 3.18Å; I49-S51 PolarHBondContact O-N 3.14Å; I49-S52 PolarHBondContact O-OG 3.48Å; I49-K173 HydrophobicContact CG2-CB 4.46Å; I49-K173 HydrophobicContact CG2-CG 4.05Å; I49-F224 HydrophobicContact CD1-CE2 3.92Å; I49-F224 HydrophobicContact CD1-CZ 4.17Å; I49-V295 HydrophobicContact CD1-CG2 3.74Å; I49-V295 HydrophobicContact CG1-CG2 4.44Å; I49-V295 HydrophobicContact CG2-CG1 3.92Å
50L96.9Very high94.9Very high0 Ų049.2 Ų49.20%029%0.292CS..Hα-helixtrans-67.5-22.5-178.6-62.2179.8000113.2L46 S52 I53 E79 L80 H84 F144L46-L50 HydrophobicContact CD1-CD1 4.35Å; L46-L50 HydrophobicContact CD1-CD2 4Å; L46-L50 HydrophobicContact CD1-CG 3.92Å; L46-L50 HydrophobicContact CD2-CD1 4.06Å; L46-L50 HydrophobicContact CG-CD1 3.74Å; L46-L50 HydrophobicContact CG-CD2 4.3Å; L46-L50 HydrophobicContact CG-CG 3.79Å; L46-L50 WeakPolarHBondContact O-CG 3.42Å; L46-L50 PolarHBondContact O-N 3.29Å; L50-S52 PolarHBondContact O-N 2.96Å; L50-S52 VanDerWaalsContact O-N 3.17Å; L50-I53 HydrophobicContact CD2-CD1 3.54Å; L50-I53 WeakPolarHBondContact O-CB 3.46Å; L50-I53 PolarHBondContact O-N 3.13Å; L50-I53 VanDerWaalsContact O-N 3.11Å; L50-E79 HydrophobicContact CD1-CB 4.12Å; L50-L80 HydrophobicContact CB-CD1 4.28Å; L50-L80 HydrophobicContact CD1-CB 4Å; L50-L80 HydrophobicContact CD1-CD1 4.24Å; L50-L80 HydrophobicContact CD2-CD1 4.06Å; L50-L80 HydrophobicContact CG-CD1 4.41Å; L50-H84 PolarHBondContact O-NE2 3.29Å; L50-F144 HydrophobicContact CD2-CD1 4.38Å; L50-F144 HydrophobicContact CD2-CD2 3.98Å; L50-F144 HydrophobicContact CD2-CE1 4.3Å; L50-F144 HydrophobicContact CD2-CE2 3.88Å; L50-F144 HydrophobicContact CD2-CG 4.23Å; L50-F144 HydrophobicContact CD2-CZ 4.06Å
51S94.5Very high94.9Very high72 Ų7246.4 Ų46.450%0.50328%0.277SS..THydrogen-bonded Turntrans-60.3-27.9-178.373.10000113.7P47 D48 I49P47-S51 PolarHBondContact O-N 3.5Å; D48-S51 WeakPolarHBondContact O-CB 3.27Å; D48-S51 PolarHBondContact O-N 2.96Å; D48-S51 PolarHBondContact O-OG 3.02Å; I49-S51 PolarHBondContact O-N 3.14Å
52S90.7Very high94.9Very high48 Ų4846.1 Ų46.134%0.33628%0.276SS..THydrogen-bonded Turntrans-87.3-11.6-178.763.30000113.9I49 L50 N171 K173I49-S52 PolarHBondContact O-OG 3.48Å; L50-S52 PolarHBondContact O-N 2.96Å; L50-S52 VanDerWaalsContact O-N 3.17Å; S52-N171 VanDerWaalsContact O-CB 3.29Å; S52-N171 WeakPolarHBondContact O-CB 3.25Å; S52-K173 WeakPolarHBondContact OG-CE 3.33Å
53I92.7Very high94.9Very high1 Ų146.2 Ų46.21%0.00528%0.277CS..SBendtrans-76.2148.1-176.1-63.8-179.6000110.4L50 D55 L60 H84 D143 F144 K173L50-I53 HydrophobicContact CD2-CD1 3.54Å; L50-I53 WeakPolarHBondContact O-CB 3.46Å; L50-I53 PolarHBondContact O-N 3.13Å; L50-I53 VanDerWaalsContact O-N 3.11Å; I53-D55 VanDerWaalsContact C-N 3.28Å; I53-D55 PolarHBondContact O-N 2.88Å; I53-L60 HydrophobicContact CG2-CD2 4.47Å; I53-H84 PolarHBondContact O-CE1 3.29Å; I53-D143 HydrophobicContact CG2-CB 3.62Å; I53-D143 VanDerWaalsContact CG2-O 3.27Å; I53-D143 WeakPolarHBondContact CG2-O 3.44Å; I53-F144 HydrophobicContact CD1-CB 4.06Å; I53-F144 HydrophobicContact CD1-CD2 3.74Å; I53-F144 HydrophobicContact CD1-CG 4.18Å; I53-K173 HydrophobicContact CD1-CB 3.9Å; I53-K173 HydrophobicContact CD1-CG 3.59Å; I53-K173 HydrophobicContact CG1-CB 4.4Å; I53-K173 HydrophobicContact CG1-CG 3.62Å
54G82.8Confident94.9Very high2 Ų242 Ų422%0.02126%0.257CS..SBendtrans84.9-22.2167.900000115.9G56 K57 L60G54-G56 PolarHBondContact O-N 2.87Å; G54-K57 WeakPolarHBondContact O-CB 3.46Å; G54-K57 VanDerWaalsContact O-CD 3.31Å; G54-K57 WeakPolarHBondContact O-CD 3.41Å; G54-K57 WeakPolarHBondContact O-CG 3.44Å; G54-K57 PolarHBondContact O-N 3.13Å; G54-L60 VanDerWaalsContact CA-CD2 3.44Å
55D85.6Confident95Very high99 Ų9938.9 Ų38.953%0.52924%0.235SC..THydrogen-bonded Turntrans46.842172.6-157.218.5000113.7I53 K170I53-D55 VanDerWaalsContact C-N 3.28Å; I53-D55 PolarHBondContact O-N 2.88Å; D55-K170 IonicContact OD2-NZ 2.79Å; D55-K170 PolarHBondContact OD2-NZ 3.05Å
56G86.6Confident95Very high82 Ų8234.6 Ų34.685%0.84522%0.221SC*.THydrogen-bonded Turntrans83.68.9-179.600000116.2G54G54-G56 PolarHBondContact O-N 2.87Å
57K94Very high95Very high67 Ų6735.1 Ų35.129%0.29123%0.225SC..  trans-58.4142.9172.6-76.2168.9-173.3-174.90112.2G54 H59 L60 V87 D143 D169G54-K57 WeakPolarHBondContact O-CB 3.46Å; G54-K57 VanDerWaalsContact O-CD 3.31Å; G54-K57 WeakPolarHBondContact O-CD 3.41Å; G54-K57 WeakPolarHBondContact O-CG 3.44Å; G54-K57 PolarHBondContact O-N 3.13Å; K57-H59 VanDerWaalsContact C-N 3.29Å; K57-H59 WeakPolarHBondContact CB-O 3.34Å; K57-L60 HydrophobicContact CB-CD2 4.22Å; K57-L60 HydrophobicContact CD-CD2 4.31Å; K57-V87 WeakPolarHBondContact O-CG2 3.25Å; K57-D143 IonicContact NZ-OD1 3.85Å; K57-D143 PolarHBondContact NZ-OD1 3.4Å; K57-D143 IonicContact NZ-OD2 2.67Å; K57-D143 PolarHBondContact NZ-OD2 2.85Å; K57-D169 IonicContact NZ-OD2 2.63Å; K57-D169 PolarHBondContact NZ-OD2 2.86Å
58S95.4Very high94.9Very high100 Ų10035.1 Ų35.170%0.69923%0.227SC*.SBendtrans-82.7-6.817055.90000113.7T88S58-T88 PolarHBondContact O-N 3.15Å; S58-T88 PolarHBondContact O-OG1 2.99Å
59H97Very high94.9Very high62 Ų6230.4 Ų30.429%0.28720%0.203SC..EExtended strand (participates in β ladder)trans-145.5133.4-178.8-172.176.9000110.7K57 T88 D90K57-H59 VanDerWaalsContact C-N 3.29Å; K57-H59 WeakPolarHBondContact CB-O 3.34Å; H59-T88 CarbonylContact C-O 3.55Å; H59-T88 WeakPolarHBondContact CA-O 3.32Å; H59-T88 PolarHBondContact ND1-OG1 3.14Å; H59-D90 PolarHBondContact CE1-N 2.82Å; H59-D90 IonicContact CE1-OD1 2.87Å; H59-D90 PolarHBondContact CE1-OD1 2.84Å; H59-D90 WeakPolarHBondContact NE2-CB 3.29Å; H59-D90 IonicContact NE2-OD1 3.91Å; H59-D90 PolarHBondContact NE2-OD1 2.83Å; H59-D90 IonicContact NE2-OD2 3.18Å
60L98Very high94.9Very high2 Ų229.4 Ų29.41%0.0120%0.198CC..EExtended strand (participates in β ladder)trans-118.1141.4179.6-60.7172.3000111.2I53 G54 K57 L80 H84 V87 T88 V89 D90 D143I53-L60 HydrophobicContact CG2-CD2 4.47Å; G54-L60 VanDerWaalsContact CA-CD2 3.44Å; K57-L60 HydrophobicContact CB-CD2 4.22Å; K57-L60 HydrophobicContact CD-CD2 4.31Å; L60-L80 HydrophobicContact CD1-CD1 4.03Å; L60-L80 HydrophobicContact CD1-CD2 4.13Å; L60-L80 HydrophobicContact CD1-CG 4.16Å; L60-H84 HydrophobicContact CD1-CB 4.36Å; L60-V87 HydrophobicContact CB-CG1 4.44Å; L60-V87 HydrophobicContact CD1-CG1 3.8Å; L60-V87 HydrophobicContact CG-CG1 3.6Å; L60-T88 PolarHBondContact N-O 3.34Å; L60-V89 HydrophobicContact CB-CG2 4.49Å; L60-V89 CarbonylContact O-C 3.57Å; L60-V89 WeakPolarHBondContact O-CA 3.33Å; L60-D90 PolarHBondContact O-N 3.26Å; L60-D143 WeakPolarHBondContact CA-OD2 3.36Å; L60-D143 HydrophobicContact CB-CB 4.25Å; L60-D143 HydrophobicContact CD2-CB 3.91Å
61N98.1Very high94.9Very high26 Ų2633.4 Ų33.414%0.13922%0.217CC..EExtended strand (participates in β ladder)trans-101.5120.8173.1-63.1-51.4000109.9K140 K141 D143 F144N61-K140 WeakPolarHBondContact OD1-CE 3.41Å; N61-K140 PolarHBondContact OD1-NZ 3.42Å; N61-K141 VanDerWaalsContact CB-O 3.29Å; N61-K141 WeakPolarHBondContact CB-O 3.41Å; N61-K141 PolarHBondContact ND2-O 2.92Å; N61-D143 PolarHBondContact N-OD2 3.39Å; N61-D143 PolarHBondContact O-N 2.86Å; N61-F144 PolarHBondContact O-N 2.86Å
62V98.7Very high95.1Very high1 Ų130.6 Ų30.61%0.00620%0.196CC..EExtended strand (participates in β ladder)trans-114.7139.2177.2-1770000109.7L77 L80 V89 D90 N91 E92 F144V62-L77 HydrophobicContact CB-CD2 4.34Å; V62-L77 HydrophobicContact CG1-CD2 4.16Å; V62-L77 HydrophobicContact CG2-CD2 4.16Å; V62-L80 HydrophobicContact CG2-CD2 3.7Å; V62-V89 HydrophobicContact CB-CG1 4.11Å; V62-V89 HydrophobicContact CG2-CG1 3.59Å; V62-D90 PolarHBondContact N-O 2.89Å; V62-N91 WeakPolarHBondContact CG1-OD1 3.43Å; V62-N91 WeakPolarHBondContact O-CA 3.48Å; V62-E92 PolarHBondContact O-N 2.89Å; V62-F144 CarbonylContact C-O 3.53Å; V62-F144 VanDerWaalsContact CA-O 3.25Å; V62-F144 WeakPolarHBondContact CA-O 3.2Å; V62-F144 HydrophobicContact CG1-CB 4.43Å; V62-F144 HydrophobicContact CG1-CD1 3.99Å; V62-F144 HydrophobicContact CG2-CB 4.22Å
63I98.8Very high95.4Very high4 Ų428.5 Ų28.52%0.02118%0.181CC..EExtended strand (participates in β ladder)trans-123.5115.8172.3-51.8177.4000109.2V65 E92 V94 F129 A142 F144 I145 H146 F164 L167I63-V65 HydrophobicContact CG2-CG2 3.99Å; I63-E92 CarbonylContact C-O 3.6Å; I63-E92 WeakPolarHBondContact CA-O 3.43Å; I63-E92 HydrophobicContact CG1-CB 4.42Å; I63-V94 HydrophobicContact CG2-CG2 4.3Å; I63-F129 HydrophobicContact CD1-CZ 4.32Å; I63-A142 HydrophobicContact CD1-CB 3.83Å; I63-A142 HydrophobicContact CG1-CB 4.05Å; I63-F144 PolarHBondContact N-O 3.23Å; I63-I145 HydrophobicContact CB-CG1 4.19Å; I63-I145 HydrophobicContact CB-CG2 4.28Å; I63-I145 HydrophobicContact CD1-CD1 4.46Å; I63-I145 HydrophobicContact CD1-CG1 4.45Å; I63-I145 HydrophobicContact CG1-CG1 4.5Å; I63-I145 VanDerWaalsContact O-CA 3.3Å; I63-I145 WeakPolarHBondContact O-CA 3.41Å; I63-H146 PolarHBondContact O-N 3.25Å; I63-F164 HydrophobicContact CG2-CE1 4.23Å; I63-L167 HydrophobicContact CD1-CD1 4.24Å
64G98.8Very high95.7Very high0 Ų029.1 Ų29.10%018%0.184CC..EExtended strand (participates in β ladder)trans-95.4116.5169.200000110.3S67 E92 V94 H146G64-S67 WeakPolarHBondContact CA-OG 3.49Å; G64-S67 PolarHBondContact O-OG 3.42Å; G64-E92 PolarHBondContact N-O 3.26Å; G64-V94 PolarHBondContact O-N 2.88Å; G64-H146 WeakPolarHBondContact CA-CE1 3.38Å; G64-H146 WeakPolarHBondContact CA-NE2 3.41Å
65V98.8Very high96.4Very high1 Ų131.4 Ų31.41%0.00619%0.194CC..EExtended strand (participates in β ladder)trans-106.4124.7178.3-158.20000108.5I63 V94 A126 I145 H146 M147 M150 F164I63-V65 HydrophobicContact CG2-CG2 3.99Å; V65-V94 HydrophobicContact CG1-CB 4.26Å; V65-V94 HydrophobicContact CG1-CG1 4.25Å; V65-A126 HydrophobicContact CG1-CB 3.79Å; V65-I145 HydrophobicContact CG2-CG2 4.13Å; V65-H146 PolarHBondContact N-O 3.12Å; V65-M147 HydrophobicContact CB-CG 4.08Å; V65-M147 HydrophobicContact CG2-CE 4.29Å; V65-M147 HydrophobicContact CG2-CG 4.23Å; V65-M150 HydrophobicContact CB-CE 4.08Å; V65-M150 HydrophobicContact CG1-CE 3.43Å; V65-M150 VanDerWaalsContact CG1-CE 3.43Å; V65-M150 HydrophobicContact CG1-SD 4.34Å; V65-M150 WeakPolarHBondContact O-CG 3.27Å; V65-F164 HydrophobicContact CB-CZ 4.43Å; V65-F164 HydrophobicContact CG1-CE1 4.45Å; V65-F164 HydrophobicContact CG1-CE2 4.24Å; V65-F164 HydrophobicContact CG1-CZ 3.84Å; V65-F164 HydrophobicContact CG2-CD1 3.89Å; V65-F164 HydrophobicContact CG2-CE1 3.41Å; V65-F164 VanDerWaalsContact CG2-CE1 3.41Å; V65-F164 HydrophobicContact CG2-CE2 4.3Å; V65-F164 HydrophobicContact CG2-CZ 3.64Å
66G97.8Very high97.1Very high17 Ų1726.8 Ų26.818%0.17517%0.17CC..SBendtrans65.741.2-172.500000112.6G68 V94G66-G68 PolarHBondContact O-N 2.79Å; G66-G68 VanDerWaalsContact O-N 3.16Å; G66-V94 PolarHBondContact N-O 2.79Å
67S97.9Very high97.6Very high11 Ų1123 Ų238%0.07713%0.13CC..  trans-64.7-15.2-173.2-67.90000115.1G64 A69 G70 D73G64-S67 WeakPolarHBondContact CA-OG 3.49Å; G64-S67 PolarHBondContact O-OG 3.42Å; S67-A69 PolarHBondContact O-N 2.85Å; S67-G70 PolarHBondContact O-N 3.27Å; S67-G70 VanDerWaalsContact O-N 3.09Å; S67-D73 WeakPolarHBondContact CB-OD2 3.47Å; S67-D73 PolarHBondContact OG-OD2 3.44Å
68G95.8Very high97.8Very high11 Ų1122.5 Ų22.511%0.11313%0.13CC..THydrogen-bonded Turntrans56.4-135.3-176.600000112.4G66 G70 E95 Q100G66-G68 PolarHBondContact O-N 2.79Å; G66-G68 VanDerWaalsContact O-N 3.16Å; G68-G70 VanDerWaalsContact C-N 3.26Å; G68-G70 PolarHBondContact O-N 2.93Å; G68-E95 WeakPolarHBondContact CA-OE2 3.49Å; G68-E95 PolarHBondContact N-OE2 3.42Å; G68-Q100 CarbonylContact O-C 3.57Å
69A96.5Very high97.9Very high10 Ų1018.5 Ų18.58%0.08310%0.101CC..THydrogen-bonded Turntrans-83.21.1179.400000113.5S67 E71 N103 Y104 L107S67-A69 PolarHBondContact O-N 2.85Å; A69-E71 WeakPolarHBondContact CB-OE2 3.44Å; A69-N103 HydrophobicContact CB-CB 3.78Å; A69-Y104 WeakPolarHBondContact O-CA 2.97Å; A69-Y104 WeakPolarHBondContact O-CB 3.34Å; A69-L107 WeakPolarHBondContact O-CD2 3.27Å
70G97.8Very high98Very high1 Ų115.6 Ų15.61%0.019%0.088CC..SBendtrans82.17.2166.600000116.9S67 G68 I72 D73 L74 Y104S67-G70 PolarHBondContact O-N 3.27Å; S67-G70 VanDerWaalsContact O-N 3.09Å; G68-G70 VanDerWaalsContact C-N 3.26Å; G68-G70 PolarHBondContact O-N 2.93Å; G70-I72 VanDerWaalsContact C-N 3.35Å; G70-I72 PolarHBondContact O-N 2.83Å; G70-D73 PolarHBondContact O-N 3.49Å; G70-L74 VanDerWaalsContact O-CG 3.32Å; G70-L74 WeakPolarHBondContact O-CG 3.19Å; G70-L74 PolarHBondContact O-N 3.28Å; G70-Y104 VanDerWaalsContact CA-CE1 3.41Å
71E97.1Very high97.9Very high85 Ų8518.2 Ų18.240%0.39710%0.099SC..Hα-helixtrans-59.2-47178.9-63.894.2152.100111.9A69 E75 L107A69-E71 WeakPolarHBondContact CB-OE2 3.44Å; E71-E75 WeakPolarHBondContact O-CG 3.33Å; E71-E75 PolarHBondContact O-N 3Å; E71-L107 HydrophobicContact CG-CD2 4.1Å
72I97.8Very high97.8Very high13 Ų1322.5 Ų22.57%0.06712%0.117CC..Hα-helixtrans-72.7-38.8-179.3-60.3-58.6000111.3H35 M38 I42 G70 L74 E75 M76 I148H35-I72 HydrophobicContact CB-CD1 4.47Å; M38-I72 HydrophobicContact CB-CD1 4.14Å; M38-I72 HydrophobicContact SD-CD1 4.11Å; M38-I72 HydrophobicContact SD-CG1 4.05Å; M38-I72 HydrophobicContact SD-CG2 4.45Å; I42-I72 HydrophobicContact CD1-CG2 3.77Å; G70-I72 VanDerWaalsContact C-N 3.35Å; G70-I72 PolarHBondContact O-N 2.83Å; I72-L74 VanDerWaalsContact C-N 3.33Å; I72-L74 PolarHBondContact O-N 2.84Å; I72-E75 PolarHBondContact O-N 2.92Å; I72-M76 HydrophobicContact CG2-CE 4.11Å; I72-M76 WeakPolarHBondContact O-CG 3.35Å; I72-M76 PolarHBondContact O-N 3.43Å; I72-I148 HydrophobicContact CG2-CG1 4.41Å; I72-I148 HydrophobicContact CG2-CG2 4.37Å
73D98.6Very high97.7Very high3 Ų326.5 Ų26.52%0.01613%0.134CC..Hα-helixtrans-54.7-49.1173.1-73.237.4000111.7S67 G70 E75 M76 L77 Y104 H146S67-D73 WeakPolarHBondContact CB-OD2 3.47Å; S67-D73 PolarHBondContact OG-OD2 3.44Å; G70-D73 PolarHBondContact O-N 3.49Å; D73-E75 VanDerWaalsContact C-N 3.32Å; D73-E75 PolarHBondContact O-N 3.48Å; D73-M76 PolarHBondContact O-N 2.84Å; D73-L77 WeakPolarHBondContact O-CB 3.41Å; D73-L77 VanDerWaalsContact O-CG 3.25Å; D73-L77 WeakPolarHBondContact O-CG 3.16Å; D73-L77 PolarHBondContact O-N 2.86Å; D73-Y104 HydrophobicContact CB-CE1 4.09Å; D73-Y104 WeakPolarHBondContact CB-OH 3.32Å; D73-Y104 WeakPolarHBondContact OD2-CE1 3.35Å; D73-Y104 PolarHBondContact OD2-OH 2.98Å; D73-H146 IonicContact OD1-CE1 3.47Å; D73-H146 PolarHBondContact OD1-CE1 3.43Å; D73-H146 IonicContact OD1-ND1 3.92Å; D73-H146 IonicContact OD2-CE1 3.18Å; D73-H146 PolarHBondContact OD2-CE1 3.4Å; D73-H146 VanDerWaalsContact OD2-CE1 3.27Å; D73-H146 IonicContact OD2-NE2 3.54Å
74L98.4Very high97.5Very high14 Ų1427.8 Ų27.87%0.07314%0.14CC..Hα-helixtrans-66-34.4-177.9-69.1-172.8000112.5G70 I72 L77 N78 Y104 L107 V108 K111 L114 F119G70-L74 VanDerWaalsContact O-CG 3.32Å; G70-L74 WeakPolarHBondContact O-CG 3.19Å; G70-L74 PolarHBondContact O-N 3.28Å; I72-L74 VanDerWaalsContact C-N 3.33Å; I72-L74 PolarHBondContact O-N 2.84Å; L74-L77 HydrophobicContact CD2-CD1 4.15Å; L74-L77 PolarHBondContact O-N 2.72Å; L74-N78 VanDerWaalsContact O-CB 3.27Å; L74-N78 WeakPolarHBondContact O-CB 3.46Å; L74-N78 PolarHBondContact O-N 3.33Å; L74-Y104 HydrophobicContact CD1-CE2 4.39Å; L74-Y104 HydrophobicContact CD2-CE2 3.94Å; L74-Y104 HydrophobicContact CG-CE2 3.95Å; L74-L107 HydrophobicContact CD1-CD2 3.62Å; L74-L107 HydrophobicContact CD1-CG 3.74Å; L74-L107 HydrophobicContact CG-CD2 4.47Å; L74-V108 HydrophobicContact CD1-CG2 4.4Å; L74-V108 HydrophobicContact CD2-CG2 4.28Å; L74-K111 HydrophobicContact CD1-CD 3.96Å; L74-L114 HydrophobicContact CD1-CD1 4.11Å; L74-L114 HydrophobicContact CD2-CD1 3.63Å; L74-L114 HydrophobicContact CG-CD1 4.49Å; L74-F119 HydrophobicContact CD2-CE1 4.3Å; L74-F119 HydrophobicContact CD2-CZ 3.89Å
75E98.1Very high97.3Very high50 Ų5032.7 Ų32.723%0.23417%0.172CC..Hα-helixtrans-61.7-46.7172-69.8-75.6-177.700111.1R39 I42 H43 E71 I72 D73 N78 E79R39-E75 IonicContact NE-OE1 2.65Å; I42-E75 HydrophobicContact CD1-CB 4.17Å; I42-E75 HydrophobicContact CG2-CB 4.1Å; H43-E75 IonicContact CE1-OE2 3.41Å; H43-E75 IonicContact NE2-OE2 2.85Å; H43-E75 PolarHBondContact NE2-OE2 2.63Å; E71-E75 WeakPolarHBondContact O-CG 3.33Å; E71-E75 PolarHBondContact O-N 3Å; I72-E75 PolarHBondContact O-N 2.92Å; D73-E75 VanDerWaalsContact C-N 3.32Å; D73-E75 PolarHBondContact O-N 3.48Å; E75-N78 PolarHBondContact O-N 3.15Å; E75-E79 PolarHBondContact O-N 3.35Å; E75-E79 VanDerWaalsContact O-N 3.11Å
76M98.7Very high97.1Very high2 Ų236 Ų361%0.0121%0.206CC..Hα-helixtrans-65.2-42.2177.3-66-171.4-69.600112.4I42 L46 I72 D73 N78 E79 L80 F144 H146 I148 L175I42-M76 HydrophobicContact CD1-CG 3.74Å; I42-M76 HydrophobicContact CG1-CG 3.9Å; I42-M76 HydrophobicContact CG2-CG 4.4Å; L46-M76 HydrophobicContact CD2-CB 3.97Å; L46-M76 HydrophobicContact CD2-CG 3.58Å; L46-M76 HydrophobicContact CD2-SD 4.17Å; I72-M76 HydrophobicContact CG2-CE 4.11Å; I72-M76 WeakPolarHBondContact O-CG 3.35Å; I72-M76 PolarHBondContact O-N 3.43Å; D73-M76 PolarHBondContact O-N 2.84Å; M76-N78 VanDerWaalsContact C-N 3.29Å; M76-N78 PolarHBondContact O-N 2.87Å; M76-E79 PolarHBondContact O-N 3.24Å; M76-L80 WeakPolarHBondContact O-CB 3.39Å; M76-L80 PolarHBondContact O-N 3.2Å; M76-F144 HydrophobicContact CB-CE1 4.34Å; M76-F144 HydrophobicContact SD-CE1 4.18Å; M76-F144 HydrophobicContact SD-CZ 4.17Å; M76-H146 HydrophobicContact CE-CB 3.94Å; M76-H146 WeakPolarHBondContact CE-ND1 3.44Å; M76-H146 HydrophobicContact SD-CB 4.3Å; M76-I148 HydrophobicContact CE-CD1 4.27Å; M76-I148 HydrophobicContact CE-CG1 4.06Å; M76-I148 HydrophobicContact SD-CD1 4.38Å; M76-L175 HydrophobicContact SD-CD2 3.62Å
77L98.4Very high97.1Very high2 Ų236.1 Ų36.11%0.0120%0.204CC..Hα-helixtrans-66-31.9177.8-72.5164.9000112.2V62 D73 L74 L80 H81 V89 Y116 I117 F119V62-L77 HydrophobicContact CB-CD2 4.34Å; V62-L77 HydrophobicContact CG1-CD2 4.16Å; V62-L77 HydrophobicContact CG2-CD2 4.16Å; D73-L77 WeakPolarHBondContact O-CB 3.41Å; D73-L77 VanDerWaalsContact O-CG 3.25Å; D73-L77 WeakPolarHBondContact O-CG 3.16Å; D73-L77 PolarHBondContact O-N 2.86Å; L74-L77 HydrophobicContact CD2-CD1 4.15Å; L74-L77 PolarHBondContact O-N 2.72Å; L77-L80 HydrophobicContact CD2-CD2 4.46Å; L77-H81 WeakPolarHBondContact O-CB 3.39Å; L77-H81 PolarHBondContact O-N 3.13Å; L77-V89 HydrophobicContact CD2-CG1 4.08Å; L77-Y116 PolarHBondContact O-OH 2.9Å; L77-I117 HydrophobicContact CB-CD1 3.94Å; L77-I117 HydrophobicContact CD1-CD1 4.08Å; L77-I117 HydrophobicContact CD2-CD1 4.39Å; L77-I117 HydrophobicContact CG-CD1 4.36Å; L77-F119 HydrophobicContact CD1-CE1 4.26Å; L77-F119 HydrophobicContact CD1-CZ 4.43Å
78N97.6Very high97.1Very high57 Ų5738.7 Ų38.731%0.30522%0.219SC..Hα-helixtrans-67.9-45.7173.2-174.537000111.3L74 E75 M76 L80 H81 K82L74-N78 VanDerWaalsContact O-CB 3.27Å; L74-N78 WeakPolarHBondContact O-CB 3.46Å; L74-N78 PolarHBondContact O-N 3.33Å; E75-N78 PolarHBondContact O-N 3.15Å; M76-N78 VanDerWaalsContact C-N 3.29Å; M76-N78 PolarHBondContact O-N 2.87Å; N78-L80 VanDerWaalsContact C-N 3.32Å; N78-L80 PolarHBondContact O-N 3.06Å; N78-H81 PolarHBondContact O-N 2.71Å; N78-K82 WeakPolarHBondContact ND2-CE 3.25Å; N78-K82 PolarHBondContact ND2-NZ 2.81Å; N78-K82 WeakPolarHBondContact O-CG 3.45Å; N78-K82 PolarHBondContact O-N 3.21Å
79E98.1Very high97.2Very high16 Ų1638.3 Ų38.38%0.07521%0.214CC..Hα-helixtrans-64-37.1174.5-68.8-53.9132.400112.4I42 H43 P47 L50 E75 M76 H81 K82 K83I42-E79 HydrophobicContact CG2-CG 3.76Å; H43-E79 IonicContact CD2-OE1 3.83Å; P47-E79 HydrophobicContact CG-CG 4.5Å; L50-E79 HydrophobicContact CD1-CB 4.12Å; E75-E79 PolarHBondContact O-N 3.35Å; E75-E79 VanDerWaalsContact O-N 3.11Å; M76-E79 PolarHBondContact O-N 3.24Å; E79-H81 PolarHBondContact O-N 2.94Å; E79-K82 PolarHBondContact O-N 3.43Å; E79-K82 IonicContact OE1-NZ 2.67Å; E79-K82 PolarHBondContact OE1-NZ 2.83Å; E79-K83 WeakPolarHBondContact O-CG 3.46Å; E79-K83 PolarHBondContact O-N 2.94Å
80L97.8Very high97.3Very high2 Ų239.3 Ų39.31%0.0122%0.218CC..Hα-helixtrans-59.7-46.5172.7-174.969.6000111.2L50 L60 V62 M76 L77 N78 K83 H84 V89L50-L80 HydrophobicContact CB-CD1 4.28Å; L50-L80 HydrophobicContact CD1-CB 4Å; L50-L80 HydrophobicContact CD1-CD1 4.24Å; L50-L80 HydrophobicContact CD2-CD1 4.06Å; L50-L80 HydrophobicContact CG-CD1 4.41Å; L60-L80 HydrophobicContact CD1-CD1 4.03Å; L60-L80 HydrophobicContact CD1-CD2 4.13Å; L60-L80 HydrophobicContact CD1-CG 4.16Å; V62-L80 HydrophobicContact CG2-CD2 3.7Å; M76-L80 WeakPolarHBondContact O-CB 3.39Å; M76-L80 PolarHBondContact O-N 3.2Å; L77-L80 HydrophobicContact CD2-CD2 4.46Å; N78-L80 VanDerWaalsContact C-N 3.32Å; N78-L80 PolarHBondContact O-N 3.06Å; L80-K83 PolarHBondContact O-N 3.22Å; L80-H84 PolarHBondContact O-CD2 2.97Å; L80-H84 PolarHBondContact O-N 3.32Å; L80-V89 HydrophobicContact CD2-CG2 4.19Å
81H96.5Very high97.3Very high56 Ų5639.2 Ų39.226%0.25922%0.218SC..Hα-helixtrans-63.3-41.4177.8-175.666.4000112.8L77 N78 E79 K83 H84 P85 Y116L77-H81 WeakPolarHBondContact O-CB 3.39Å; L77-H81 PolarHBondContact O-N 3.13Å; N78-H81 PolarHBondContact O-N 2.71Å; E79-H81 PolarHBondContact O-N 2.94Å; H81-K83 VanDerWaalsContact C-N 3.27Å; H81-K83 PolarHBondContact O-N 2.9Å; H81-H84 CarbonylContact O-C 3.18Å; H81-H84 PolarHBondContact O-N 3.31Å; H81-P85 WeakPolarHBondContact O-CA 3.34Å; H81-Y116 HydrophobicContact CB-CD2 4.36Å; H81-Y116 HydrophobicContact CB-CE1 4.39Å; H81-Y116 HydrophobicContact CB-CE2 3.52Å; H81-Y116 WeakPolarHBondContact CB-OH 3.31Å; H81-Y116 AromaticContact CE1-CD1 3.91Å; H81-Y116 AromaticContact CE1-CG 3.87Å; H81-Y116 AromaticContact CG-CE1 3.89Å; H81-Y116 AromaticContact CG-CE2 3.58Å; H81-Y116 AromaticContact CG-CZ 3.5Å; H81-Y116 AromaticContact ND1-CD1 3.95Å; H81-Y116 AromaticContact ND1-CD2 3.45Å; H81-Y116 WeakPolarHBondContact ND1-CD2 3.41Å; H81-Y116 AromaticContact ND1-CE1 3.99Å; H81-Y116 AromaticContact ND1-CE2 3.5Å; H81-Y116 AromaticContact ND1-CG 3.69Å; H81-Y116 AromaticContact ND1-CZ 3.78Å
82K96.1Very high97.4Very high116 Ų11636.4 Ų36.450%0.50421%0.205SC..Hα-helixtrans-61.4-36.6175.7-71.1172.2-169.7169.70112.1N78 E79N78-K82 WeakPolarHBondContact ND2-CE 3.25Å; N78-K82 PolarHBondContact ND2-NZ 2.81Å; N78-K82 WeakPolarHBondContact O-CG 3.45Å; N78-K82 PolarHBondContact O-N 3.21Å; E79-K82 PolarHBondContact O-N 3.43Å; E79-K82 IonicContact OE1-NZ 2.67Å; E79-K82 PolarHBondContact OE1-NZ 2.83Å
83K96.2Very high97.4Very high85 Ų8535.8 Ų35.837%0.3720%0.201SC..Hα-helixtrans-78.1-28.8178-72.7-67.3176.2170.60113.6P47 E79 L80 H81 P85P47-K83 HydrophobicContact CB-CD 4.29Å; P47-K83 HydrophobicContact CB-CG 4.22Å; P47-K83 WeakPolarHBondContact O-CD 3.11Å; P47-K83 WeakPolarHBondContact O-CE 3.19Å; E79-K83 WeakPolarHBondContact O-CG 3.46Å; E79-K83 PolarHBondContact O-N 2.94Å; L80-K83 PolarHBondContact O-N 3.22Å; H81-K83 VanDerWaalsContact C-N 3.27Å; H81-K83 PolarHBondContact O-N 2.9Å; K83-P85 VanDerWaalsContact C-CD 3.43Å; K83-P85 WeakPolarHBondContact O-CD 3.4Å
84H95.8Very high97.4Very high32 Ų3235.7 Ų35.715%0.14820%0.201CC..SBendtrans-124.266.3-179.3-59.5-76.4000110.7L50 I53 L60 L80 H81 G86 V87L50-H84 PolarHBondContact O-NE2 3.29Å; I53-H84 PolarHBondContact O-CE1 3.29Å; L60-H84 HydrophobicContact CD1-CB 4.36Å; L80-H84 PolarHBondContact O-CD2 2.97Å; L80-H84 PolarHBondContact O-N 3.32Å; H81-H84 CarbonylContact O-C 3.18Å; H81-H84 PolarHBondContact O-N 3.31Å; H84-G86 PolarHBondContact O-N 2.89Å; H84-V87 HydrophobicContact CB-CB 4.02Å; H84-V87 HydrophobicContact CB-CG2 3.91Å; H84-V87 WeakPolarHBondContact O-CB 3.4Å; H84-V87 PolarHBondContact O-N 2.87Å
85P94.2Very high97.4Very high102 Ų10235.9 Ų35.966%0.66220%0.201SC*.THydrogen-bonded Turntrans-63.2134.8-175.126-34.6000111.3H81 K83 V87H81-P85 WeakPolarHBondContact O-CA 3.34Å; K83-P85 VanDerWaalsContact C-CD 3.43Å; K83-P85 WeakPolarHBondContact O-CD 3.4Å; P85-V87 VanDerWaalsContact C-N 3.27Å; P85-V87 PolarHBondContact O-N 3.28Å
86G94.1Very high97.3Very high71 Ų7136.5 Ų36.573%0.73221%0.21SC*.THydrogen-bonded Turntrans81.4-2.3-179.400000115.1H84H84-G86 PolarHBondContact O-N 2.89Å
87V96.8Very high97Very high20 Ų2037.8 Ų37.812%0.12122%0.219CC..  trans-82.7138.3174.2176.40000110.2K57 L60 H84 P85K57-V87 WeakPolarHBondContact O-CG2 3.25Å; L60-V87 HydrophobicContact CB-CG1 4.44Å; L60-V87 HydrophobicContact CD1-CG1 3.8Å; L60-V87 HydrophobicContact CG-CG1 3.6Å; H84-V87 HydrophobicContact CB-CB 4.02Å; H84-V87 HydrophobicContact CB-CG2 3.91Å; H84-V87 WeakPolarHBondContact O-CB 3.4Å; H84-V87 PolarHBondContact O-N 2.87Å; P85-V87 VanDerWaalsContact C-N 3.27Å; P85-V87 PolarHBondContact O-N 3.28Å
88T98.1Very high96.8Very high64 Ų6440.9 Ų40.939%0.39324%0.24SC..EExtended strand (participates in β ladder)trans-90.2153.6175.654.50000111S58 H59 L60 Y116S58-T88 PolarHBondContact O-N 3.15Å; S58-T88 PolarHBondContact O-OG1 2.99Å; H59-T88 CarbonylContact C-O 3.55Å; H59-T88 WeakPolarHBondContact CA-O 3.32Å; H59-T88 PolarHBondContact ND1-OG1 3.14Å; L60-T88 PolarHBondContact N-O 3.34Å; T88-Y116 WeakPolarHBondContact CA-O 3.43Å
89V98.4Very high96.5Very high4 Ų442.5 Ų42.52%0.02425%0.246CC..EExtended strand (participates in β ladder)trans-127126.2-176.3179.20000110.7L60 V62 L77 L80 N91 Y116 I117 K118L60-V89 HydrophobicContact CB-CG2 4.49Å; L60-V89 CarbonylContact O-C 3.57Å; L60-V89 WeakPolarHBondContact O-CA 3.33Å; V62-V89 HydrophobicContact CB-CG1 4.11Å; V62-V89 HydrophobicContact CG2-CG1 3.59Å; L77-V89 HydrophobicContact CD2-CG1 4.08Å; L80-V89 HydrophobicContact CD2-CG2 4.19Å; V89-N91 HydrophobicContact CG1-CB 4.27Å; V89-Y116 HydrophobicContact CG2-CD2 4.4Å; V89-Y116 PolarHBondContact N-O 2.91Å; V89-I117 HydrophobicContact CB-CG1 4.31Å; V89-I117 HydrophobicContact CB-CG2 4.25Å; V89-I117 HydrophobicContact CG1-CG2 4.24Å; V89-I117 CarbonylContact O-C 3.58Å; V89-I117 WeakPolarHBondContact O-CA 3.48Å; V89-K118 PolarHBondContact O-N 2.78Å
90D98.4Very high96.3Very high30 Ų3042.8 Ų42.816%0.1625%0.248CC..EExtended strand (participates in β ladder)trans-90.9108160.3-88.910.2000108.1H59 L60 V62 K118 K140H59-D90 PolarHBondContact CE1-N 2.82Å; H59-D90 IonicContact CE1-OD1 2.87Å; H59-D90 PolarHBondContact CE1-OD1 2.84Å; H59-D90 WeakPolarHBondContact NE2-CB 3.29Å; H59-D90 IonicContact NE2-OD1 3.91Å; H59-D90 PolarHBondContact NE2-OD1 2.83Å; H59-D90 IonicContact NE2-OD2 3.18Å; L60-D90 PolarHBondContact O-N 3.26Å; V62-D90 PolarHBondContact N-O 2.89Å; D90-K118 WeakPolarHBondContact OD1-CB 2.98Å; D90-K118 WeakPolarHBondContact OD1-CD 3.38Å; D90-K140 IonicContact OD2-NZ 2.7Å
91N98.6Very high96.3Very high0 Ų043.1 Ų43.10%025%0.249CC..EExtended strand (participates in β ladder)trans-102.4111.1179.5-172.850.3000110.8V62 V89 V93 I117 K118 F119 T120V62-N91 WeakPolarHBondContact CG1-OD1 3.43Å; V62-N91 WeakPolarHBondContact O-CA 3.48Å; V89-N91 HydrophobicContact CG1-CB 4.27Å; N91-V93 WeakPolarHBondContact ND2-CG2 3.45Å; N91-I117 HydrophobicContact CB-CG2 3.66Å; N91-K118 PolarHBondContact N-O 3.14Å; N91-F119 HydrophobicContact CB-CD1 4.19Å; N91-F119 HydrophobicContact CB-CE1 4.34Å; N91-F119 WeakPolarHBondContact ND2-CD1 3.12Å; N91-F119 VanDerWaalsContact ND2-CE1 3.34Å; N91-F119 WeakPolarHBondContact ND2-CE1 3.44Å; N91-F119 CarbonylContact O-C 3.58Å; N91-F119 WeakPolarHBondContact O-CA 3.03Å; N91-T120 PolarHBondContact O-N 3.24Å
92E98.2Very high96.3Very high26 Ų2645.5 Ų45.512%0.12126%0.26CS..EExtended strand (participates in β ladder)trans-94.4114.4174.2-62.9-166.9-135.800110.5V62 I63 G64 K140V62-E92 PolarHBondContact O-N 2.89Å; I63-E92 CarbonylContact C-O 3.6Å; I63-E92 WeakPolarHBondContact CA-O 3.43Å; I63-E92 HydrophobicContact CG1-CB 4.42Å; G64-E92 PolarHBondContact N-O 3.26Å; E92-K140 WeakPolarHBondContact OE1-CE 3.36Å; E92-K140 IonicContact OE1-NZ 3.99Å; E92-K140 PolarHBondContact OE1-NZ 2.86Å
93V98.8Very high96.3Very high0 Ų042.6 Ų42.60%025%0.25CS..EExtended strand (participates in β ladder)trans-96.4125.2178.61750000109N91 E95 L101 Y104 F119 T120 W121 N122N91-V93 WeakPolarHBondContact ND2-CG2 3.45Å; V93-E95 HydrophobicContact CG1-CB 4.23Å; V93-L101 HydrophobicContact CG1-CD2 3.81Å; V93-Y104 HydrophobicContact CG1-CD1 4.19Å; V93-Y104 HydrophobicContact CG1-CE1 4.15Å; V93-Y104 HydrophobicContact CG2-CD1 4.44Å; V93-Y104 HydrophobicContact CG2-CE1 3.77Å; V93-F119 HydrophobicContact CG2-CD1 4.41Å; V93-T120 PolarHBondContact N-O 2.92Å; V93-W121 HydrophobicContact CB-CE3 3.78Å; V93-W121 HydrophobicContact CB-CZ3 4.04Å; V93-W121 HydrophobicContact CG1-CE3 3.95Å; V93-W121 HydrophobicContact CG1-CZ3 4.07Å; V93-W121 HydrophobicContact CG2-CE3 3.91Å; V93-W121 HydrophobicContact CG2-CZ3 3.71Å; V93-N122 WeakPolarHBondContact O-CA 3.34Å; V93-N122 WeakPolarHBondContact O-CB 3.42Å; V93-N122 PolarHBondContact O-N 3.45Å; V93-N122 PolarHBondContact O-ND2 2.92Å
94V98.6Very high96.5Very high1 Ų138.6 Ų38.61%0.00623%0.233CC..EExtended strand (participates in β ladder)trans-114.2104.1176.4-178.60000108.3I63 G64 V65 G66 N122 M124 F129I63-V94 HydrophobicContact CG2-CG2 4.3Å; G64-V94 PolarHBondContact O-N 2.88Å; V65-V94 HydrophobicContact CG1-CB 4.26Å; V65-V94 HydrophobicContact CG1-CG1 4.25Å; G66-V94 PolarHBondContact N-O 2.79Å; V94-N122 HydrophobicContact CG2-CB 4.47Å; V94-M124 HydrophobicContact CG1-CG 4.03Å; V94-M124 WeakPolarHBondContact CG1-O 3.43Å; V94-F129 HydrophobicContact CG1-CB 3.87Å; V94-F129 HydrophobicContact CG1-CD2 4.42Å; V94-F129 HydrophobicContact CG1-CG 4.29Å; V94-F129 HydrophobicContact CG2-CB 4.28Å; V94-F129 HydrophobicContact CG2-CD1 4.45Å; V94-F129 HydrophobicContact CG2-CD2 3.36Å; V94-F129 HydrophobicContact CG2-CE2 3.7Å; V94-F129 HydrophobicContact CG2-CG 3.78Å; V94-F129 HydrophobicContact CG2-CZ 4.38Å
95E98.2Very high96.6Very high18 Ų1841.5 Ų41.58%0.08425%0.245CC..  trans-147118.1-174.7170.653-11900110.1G68 V93 S97 Q100 L101 N122 K123 M124G68-E95 WeakPolarHBondContact CA-OE2 3.49Å; G68-E95 PolarHBondContact N-OE2 3.42Å; V93-E95 HydrophobicContact CG1-CB 4.23Å; E95-S97 WeakPolarHBondContact OE1-CB 3.47Å; E95-S97 PolarHBondContact OE1-N 3.44Å; E95-Q100 HydrophobicContact CG-CB 3.92Å; E95-L101 HydrophobicContact CB-CD1 4.48Å; E95-L101 HydrophobicContact CB-CD2 3.81Å; E95-L101 HydrophobicContact CB-CG 3.85Å; E95-L101 HydrophobicContact CG-CD2 4.21Å; E95-L101 HydrophobicContact CG-CG 3.82Å; E95-L101 WeakPolarHBondContact O-CD1 3.47Å; E95-N122 PolarHBondContact N-O 2.99Å; E95-K123 VanDerWaalsContact O-CA 3.32Å; E95-K123 WeakPolarHBondContact O-CA 3.41Å; E95-M124 CarbonylContact C-O 3.6Å; E95-M124 PolarHBondContact N-O 3.02Å; E95-M124 PolarHBondContact O-N 3.43Å
96P95.4Very high96.8Very high63 Ų6339.3 Ų39.341%0.40923%0.23SC..  trans-71.9-28.2-178.127.7-35.6000113.8S98 K123 M124 T125P96-S98 PolarHBondContact O-N 3.21Å; P96-K123 VanDerWaalsContact O-CE 3.22Å; P96-K123 WeakPolarHBondContact O-CE 3.45Å; P96-K123 WeakPolarHBondContact O-CG 3.35Å; P96-M124 WeakPolarHBondContact CD-O 3.14Å; P96-T125 HydrophobicContact CB-CG2 4.02Å; P96-T125 HydrophobicContact CG-CG2 4.42Å
97S93Very high97Very high28 Ų2837.5 Ų37.520%0.19620%0.203CC..  trans-75.5119.8-176.8176.10000112E95 Q99 Q100 L101E95-S97 WeakPolarHBondContact OE1-CB 3.47Å; E95-S97 PolarHBondContact OE1-N 3.44Å; S97-Q99 VanDerWaalsContact C-N 3.26Å; S97-Q99 PolarHBondContact O-N 3.08Å; S97-Q99 PolarHBondContact OG-N 2.81Å; S97-Q100 PolarHBondContact O-N 2.65Å; S97-Q100 PolarHBondContact OG-N 3.3Å; S97-L101 PolarHBondContact O-N 2.81Å
98S93.3Very high97Very high67 Ų6737.8 Ų37.847%0.46921%0.205SC..Hα-helixtrans-60.2-37.3173-92.50000112.6P96 H102 K123P96-S98 PolarHBondContact O-N 3.21Å; S98-H102 WeakPolarHBondContact O-CB 3.49Å; S98-H102 PolarHBondContact O-N 3.01Å; S98-K123 WeakPolarHBondContact OG-CD 3.37Å; S98-K123 WeakPolarHBondContact OG-CE 3.3Å; S98-K123 PolarHBondContact OG-NZ 3.26Å
99Q91.5Very high97Very high92 Ų9239.2 Ų39.243%0.4322%0.217SC..Hα-helixtrans-70-45-178.4-174.458.853.200110.7S97 H102 N103S97-Q99 VanDerWaalsContact C-N 3.26Å; S97-Q99 PolarHBondContact O-N 3.08Å; S97-Q99 PolarHBondContact OG-N 2.81Å; Q99-H102 WeakPolarHBondContact O-CB 3.42Å; Q99-H102 PolarHBondContact O-N 3.03Å; Q99-H102 VanDerWaalsContact O-N 3.17Å; Q99-N103 PolarHBondContact NE2-OD1 2.94Å; Q99-N103 VanDerWaalsContact O-CG 3.24Å; Q99-N103 PolarHBondContact O-N 3.46Å; Q99-N103 PolarHBondContact O-OD1 3Å
100Q94.1Very high97Very high22 Ų2245 Ų4510%0.10324%0.244CC..Hα-helixtrans-63.2-45.5177.6-67.4-61.982.500111.8G68 E95 S97 H102 N103 Y104G68-Q100 CarbonylContact O-C 3.57Å; E95-Q100 HydrophobicContact CG-CB 3.92Å; S97-Q100 PolarHBondContact O-N 2.65Å; S97-Q100 PolarHBondContact OG-N 3.3Å; Q100-H102 VanDerWaalsContact C-N 3.27Å; Q100-H102 PolarHBondContact O-N 3.02Å; Q100-N103 PolarHBondContact O-N 2.84Å; Q100-Y104 PolarHBondContact O-N 3.23Å
101L97.6Very high96.9Very high8 Ų846.4 Ų46.44%0.04225%0.249CC..Hα-helixtrans-60.2-36.5173.4-81.4178.3000113.2V93 E95 S97 K105 W121 K123V93-L101 HydrophobicContact CG1-CD2 3.81Å; E95-L101 HydrophobicContact CB-CD1 4.48Å; E95-L101 HydrophobicContact CB-CD2 3.81Å; E95-L101 HydrophobicContact CB-CG 3.85Å; E95-L101 HydrophobicContact CG-CD2 4.21Å; E95-L101 HydrophobicContact CG-CG 3.82Å; E95-L101 WeakPolarHBondContact O-CD1 3.47Å; S97-L101 PolarHBondContact O-N 2.81Å; L101-K105 VanDerWaalsContact O-CG 3.27Å; L101-K105 WeakPolarHBondContact O-CG 3.45Å; L101-K105 PolarHBondContact O-N 2.89Å; L101-W121 HydrophobicContact CD2-CE3 3.74Å; L101-W121 HydrophobicContact CD2-CZ3 4.44Å; L101-K123 HydrophobicContact CD1-CB 3.59Å; L101-K123 HydrophobicContact CD1-CG 3.98Å
102H97.3Very high96.6Very high107 Ų10751.6 Ų51.650%0.49528%0.282SS..Hα-helixtrans-64.6-49.2174.7177.875.2000110.8S98 Q99 Q100 Y104 K105 V106S98-H102 WeakPolarHBondContact O-CB 3.49Å; S98-H102 PolarHBondContact O-N 3.01Å; Q99-H102 WeakPolarHBondContact O-CB 3.42Å; Q99-H102 PolarHBondContact O-N 3.03Å; Q99-H102 VanDerWaalsContact O-N 3.17Å; Q100-H102 VanDerWaalsContact C-N 3.27Å; Q100-H102 PolarHBondContact O-N 3.02Å; H102-Y104 VanDerWaalsContact C-N 3.32Å; H102-Y104 PolarHBondContact O-N 3.49Å; H102-K105 PolarHBondContact O-N 3.24Å; H102-V106 WeakPolarHBondContact O-CG2 3.48Å; H102-V106 PolarHBondContact O-N 3.25Å
103N96.7Very high96.5Very high55 Ų5555.9 Ų55.929%0.29430%0.302SS..Hα-helixtrans-58.4-43.2178.2-66.5-11.8000111.5A69 Q99 Q100 V106 L107A69-N103 HydrophobicContact CB-CB 3.78Å; Q99-N103 PolarHBondContact NE2-OD1 2.94Å; Q99-N103 VanDerWaalsContact O-CG 3.24Å; Q99-N103 PolarHBondContact O-N 3.46Å; Q99-N103 PolarHBondContact O-OD1 3Å; Q100-N103 PolarHBondContact O-N 2.84Å; N103-V106 WeakPolarHBondContact O-CB 3.39Å; N103-V106 PolarHBondContact O-N 2.83Å; N103-L107 WeakPolarHBondContact O-CB 3.36Å; N103-L107 PolarHBondContact O-N 2.94Å
104Y98.4Very high96.3Very high0 Ų056.7 Ų56.70%031%0.307CS..Hα-helixtrans-63.7-45176.7-161.7166.4000111.7A69 G70 D73 L74 V93 Q100 H102 V106 L107 V108 F119 W121A69-Y104 WeakPolarHBondContact O-CA 2.97Å; A69-Y104 WeakPolarHBondContact O-CB 3.34Å; G70-Y104 VanDerWaalsContact CA-CE1 3.41Å; D73-Y104 HydrophobicContact CB-CE1 4.09Å; D73-Y104 WeakPolarHBondContact CB-OH 3.32Å; D73-Y104 WeakPolarHBondContact OD2-CE1 3.35Å; D73-Y104 PolarHBondContact OD2-OH 2.98Å; L74-Y104 HydrophobicContact CD1-CE2 4.39Å; L74-Y104 HydrophobicContact CD2-CE2 3.94Å; L74-Y104 HydrophobicContact CG-CE2 3.95Å; V93-Y104 HydrophobicContact CG1-CD1 4.19Å; V93-Y104 HydrophobicContact CG1-CE1 4.15Å; V93-Y104 HydrophobicContact CG2-CD1 4.44Å; V93-Y104 HydrophobicContact CG2-CE1 3.77Å; Q100-Y104 PolarHBondContact O-N 3.23Å; H102-Y104 VanDerWaalsContact C-N 3.32Å; H102-Y104 PolarHBondContact O-N 3.49Å; Y104-V106 VanDerWaalsContact C-N 3.29Å; Y104-V106 PolarHBondContact O-N 2.69Å; Y104-L107 WeakPolarHBondContact O-CB 3.24Å; Y104-L107 PolarHBondContact O-N 3.21Å; Y104-L107 VanDerWaalsContact O-N 3.15Å; Y104-V108 HydrophobicContact CD2-CG2 3.71Å; Y104-V108 HydrophobicContact CE2-CG2 3.59Å; Y104-V108 WeakPolarHBondContact O-CG2 3.49Å; Y104-V108 PolarHBondContact O-N 3.27Å; Y104-F119 HydrophobicContact CE2-CE1 4.08Å; Y104-W121 HydrophobicContact CD1-CH2 4.1Å; Y104-W121 AromaticContact CD1-CZ3 3.53Å; Y104-W121 HydrophobicContact CD1-CZ3 3.53Å; Y104-W121 AromaticContact CD2-CH2 3.64Å; Y104-W121 HydrophobicContact CD2-CH2 3.64Å; Y104-W121 AromaticContact CD2-CZ3 3.95Å; Y104-W121 HydrophobicContact CD2-CZ3 3.95Å; Y104-W121 HydrophobicContact CE1-CH2 4.34Å; Y104-W121 AromaticContact CE1-CZ3 3.91Å; Y104-W121 HydrophobicContact CE1-CZ3 3.91Å; Y104-W121 AromaticContact CE2-CH2 3.89Å; Y104-W121 HydrophobicContact CE2-CH2 3.89Å; Y104-W121 HydrophobicContact CE2-CZ3 4.27Å; Y104-W121 AromaticContact CG-CH2 3.7Å; Y104-W121 HydrophobicContact CG-CH2 3.7Å; Y104-W121 AromaticContact CG-CZ3 3.52Å; Y104-W121 HydrophobicContact CG-CZ3 3.52Å
105K98.5Very high96.1Very high94 Ų9463.4 Ų63.441%0.40934%0.342SS..Hα-helixtrans-59.8-39.6174.6-73.8169.3-177176.70112.4L101 H102 S109 W121L101-K105 VanDerWaalsContact O-CG 3.27Å; L101-K105 WeakPolarHBondContact O-CG 3.45Å; L101-K105 PolarHBondContact O-N 2.89Å; H102-K105 PolarHBondContact O-N 3.24Å; K105-S109 WeakPolarHBondContact O-CB 3.13Å; K105-S109 PolarHBondContact O-N 3.39Å; K105-S109 PolarHBondContact O-OG 2.94Å; K105-W121 HydrophobicContact CD-CD2 4.45Å; K105-W121 HydrophobicContact CD-CG 4.46Å; K105-W121 VanDerWaalsContact CE-CD1 3.44Å; K105-W121 HydrophobicContact CG-CD2 3.92Å; K105-W121 HydrophobicContact CG-CE3 4.37Å; K105-W121 HydrophobicContact CG-CG 4.41Å; K105-W121 HydrophobicContact CG-CH2 4.25Å; K105-W121 HydrophobicContact CG-CZ2 3.79Å
106V98.3Very high96Very high55 Ų5563.8 Ų63.833%0.33334%0.343SS..Hα-helixtrans-62.4-48.4174.6171.10000109.9H102 N103 Y104 V108 S109 Q110H102-V106 WeakPolarHBondContact O-CG2 3.48Å; H102-V106 PolarHBondContact O-N 3.25Å; N103-V106 WeakPolarHBondContact O-CB 3.39Å; N103-V106 PolarHBondContact O-N 2.83Å; Y104-V106 VanDerWaalsContact C-N 3.29Å; Y104-V106 PolarHBondContact O-N 2.69Å; V106-V108 VanDerWaalsContact C-N 3.32Å; V106-V108 PolarHBondContact O-N 3.09Å; V106-S109 PolarHBondContact O-N 2.8Å; V106-S109 VanDerWaalsContact O-N 3.14Å; V106-S109 PolarHBondContact O-OG 3.49Å; V106-Q110 WeakPolarHBondContact O-CG 3.23Å; V106-Q110 PolarHBondContact O-N 3.34Å
107L98.2Very high96.1Very high34 Ų3461.5 Ų61.518%0.17833%0.328CS..Hα-helixtrans-58.2-41.3179-175.565.7000112.8A69 E71 L74 N103 Y104 K111A69-L107 WeakPolarHBondContact O-CD2 3.27Å; E71-L107 HydrophobicContact CG-CD2 4.1Å; L74-L107 HydrophobicContact CD1-CD2 3.62Å; L74-L107 HydrophobicContact CD1-CG 3.74Å; L74-L107 HydrophobicContact CG-CD2 4.47Å; N103-L107 WeakPolarHBondContact O-CB 3.36Å; N103-L107 PolarHBondContact O-N 2.94Å; Y104-L107 WeakPolarHBondContact O-CB 3.24Å; Y104-L107 PolarHBondContact O-N 3.21Å; Y104-L107 VanDerWaalsContact O-N 3.15Å; L107-K111 PolarHBondContact O-NZ 2.84Å
108V98.2Very high96.4Very high26 Ų2666.2 Ų66.216%0.15835%0.345CS..Hα-helixtrans-69.6-40.4176.2170.60000111.4L74 Y104 V106 Q110 K111 F119 W121L74-V108 HydrophobicContact CD1-CG2 4.4Å; L74-V108 HydrophobicContact CD2-CG2 4.28Å; Y104-V108 HydrophobicContact CD2-CG2 3.71Å; Y104-V108 HydrophobicContact CE2-CG2 3.59Å; Y104-V108 WeakPolarHBondContact O-CG2 3.49Å; Y104-V108 PolarHBondContact O-N 3.27Å; V106-V108 VanDerWaalsContact C-N 3.32Å; V106-V108 PolarHBondContact O-N 3.09Å; V108-Q110 PolarHBondContact O-N 3.39Å; V108-Q110 VanDerWaalsContact O-N 3.13Å; V108-K111 PolarHBondContact O-N 2.8Å; V108-F119 HydrophobicContact CG1-CD2 3.97Å; V108-F119 HydrophobicContact CG1-CE2 3.74Å; V108-F119 HydrophobicContact CG1-CZ 4.32Å; V108-F119 HydrophobicContact CG2-CE1 4.05Å; V108-F119 HydrophobicContact CG2-CE2 4.08Å; V108-F119 HydrophobicContact CG2-CZ 3.81Å; V108-W121 HydrophobicContact CG2-CH2 4.03Å; V108-W121 HydrophobicContact CG2-CZ2 4.29Å
109S97.4Very high96.6Very high93 Ų9364.7 Ų64.765%0.6533%0.329SS*.Hα-helixtrans-64.4-20.3-179.370.10000113.7K105 V106 K111K105-S109 WeakPolarHBondContact O-CB 3.13Å; K105-S109 PolarHBondContact O-N 3.39Å; K105-S109 PolarHBondContact O-OG 2.94Å; V106-S109 PolarHBondContact O-N 2.8Å; V106-S109 VanDerWaalsContact O-N 3.14Å; V106-S109 PolarHBondContact O-OG 3.49Å; S109-K111 VanDerWaalsContact C-N 3.33Å
110Q97.4Very high97Very high127 Ų12762.6 Ų62.659%0.59332%0.323SS*.THydrogen-bonded Turntrans-84.3-2.7174.9-65.7170.80.600113.7V106 V108 P112V106-Q110 WeakPolarHBondContact O-CG 3.23Å; V106-Q110 PolarHBondContact O-N 3.34Å; V108-Q110 PolarHBondContact O-N 3.39Å; V108-Q110 VanDerWaalsContact O-N 3.13Å; Q110-P112 WeakPolarHBondContact O-CD 3.27Å
111K96.7Very high97.2Very high59 Ų5964.7 Ų64.726%0.25733%0.33SS..  trans-125.573.9-174.2-67.7-176.717959.20112L74 L107 V108 S109 E113 L114L74-K111 HydrophobicContact CD1-CD 3.96Å; L107-K111 PolarHBondContact O-NZ 2.84Å; V108-K111 PolarHBondContact O-N 2.8Å; S109-K111 VanDerWaalsContact C-N 3.33Å; K111-E113 VanDerWaalsContact CA-OE2 3.27Å; K111-E113 WeakPolarHBondContact CA-OE2 3.34Å; K111-E113 WeakPolarHBondContact CB-OE1 3.39Å; K111-E113 WeakPolarHBondContact CG-OE1 3.47Å; K111-E113 PolarHBondContact O-N 2.88Å; K111-E113 VanDerWaalsContact O-N 3.12Å; K111-L114 HydrophobicContact CB-CD1 3.68Å; K111-L114 HydrophobicContact CB-CG 3.85Å; K111-L114 HydrophobicContact CD-CD1 3.94Å; K111-L114 HydrophobicContact CG-CD1 4.47Å; K111-L114 WeakPolarHBondContact O-CB 3.32Å; K111-L114 PolarHBondContact O-N 3.39Å; K111-L114 VanDerWaalsContact O-N 3.1Å
112P93.4Very high97.2Very high108 Ų10864.7 Ų64.770%0.70133%0.33SS*.G310 helixtrans-61-19.4-179.326.9-35.9000113.9Q110 L114Q110-P112 WeakPolarHBondContact O-CD 3.27Å; P112-L114 PolarHBondContact O-N 3.18Å
113E94.5Very high97.2Very high116 Ų11665.8 Ų65.854%0.54233%0.333SS..G310 helixtrans-65.7-16.6174.668.2-82.5-168.500114K111 N115K111-E113 VanDerWaalsContact CA-OE2 3.27Å; K111-E113 WeakPolarHBondContact CA-OE2 3.34Å; K111-E113 WeakPolarHBondContact CB-OE1 3.39Å; K111-E113 WeakPolarHBondContact CG-OE1 3.47Å; K111-E113 PolarHBondContact O-N 2.88Å; K111-E113 VanDerWaalsContact O-N 3.12Å; E113-N115 PolarHBondContact O-N 2.94Å; E113-N115 VanDerWaalsContact O-N 3.12Å
114L95.1Very high97.2Very high17 Ų1764.4 Ų64.49%0.08933%0.326CS..G310 helixtrans-79.720.4177.2-60.1178.4000113.6L74 K111 P112 Y116 I117L74-L114 HydrophobicContact CD1-CD1 4.11Å; L74-L114 HydrophobicContact CD2-CD1 3.63Å; L74-L114 HydrophobicContact CG-CD1 4.49Å; K111-L114 HydrophobicContact CB-CD1 3.68Å; K111-L114 HydrophobicContact CB-CG 3.85Å; K111-L114 HydrophobicContact CD-CD1 3.94Å; K111-L114 HydrophobicContact CG-CD1 4.47Å; K111-L114 WeakPolarHBondContact O-CB 3.32Å; K111-L114 PolarHBondContact O-N 3.39Å; K111-L114 VanDerWaalsContact O-N 3.1Å; P112-L114 PolarHBondContact O-N 3.18Å; L114-Y116 HydrophobicContact CD2-CE1 4.07Å; L114-Y116 PolarHBondContact O-N 3.43Å; L114-I117 HydrophobicContact CB-CD1 4.45Å; L114-I117 HydrophobicContact CD2-CD1 4.12Å; L114-I117 PolarHBondContact O-N 3.32Å
115N94.4Very high97.2Very high142 Ų14266.9 Ų66.976%0.75934%0.341SS*.THydrogen-bonded Turntrans-63.6-13.1-176.36612.3000114.7E113 I117E113-N115 PolarHBondContact O-N 2.94Å; E113-N115 VanDerWaalsContact O-N 3.12Å; N115-I117 VanDerWaalsContact C-N 3.26Å
116Y96.2Very high97.1Very high27 Ų2762.7 Ų62.711%0.10632%0.324CS..THydrogen-bonded Turntrans-79.2-8.1173.265.5-87.8000113.1L77 H81 T88 V89 L114L77-Y116 PolarHBondContact O-OH 2.9Å; H81-Y116 HydrophobicContact CB-CD2 4.36Å; H81-Y116 HydrophobicContact CB-CE1 4.39Å; H81-Y116 HydrophobicContact CB-CE2 3.52Å; H81-Y116 WeakPolarHBondContact CB-OH 3.31Å; H81-Y116 AromaticContact CE1-CD1 3.91Å; H81-Y116 AromaticContact CE1-CG 3.87Å; H81-Y116 AromaticContact CG-CE1 3.89Å; H81-Y116 AromaticContact CG-CE2 3.58Å; H81-Y116 AromaticContact CG-CZ 3.5Å; H81-Y116 AromaticContact ND1-CD1 3.95Å; H81-Y116 AromaticContact ND1-CD2 3.45Å; H81-Y116 WeakPolarHBondContact ND1-CD2 3.41Å; H81-Y116 AromaticContact ND1-CE1 3.99Å; H81-Y116 AromaticContact ND1-CE2 3.5Å; H81-Y116 AromaticContact ND1-CG 3.69Å; H81-Y116 AromaticContact ND1-CZ 3.78Å; T88-Y116 WeakPolarHBondContact CA-O 3.43Å; V89-Y116 HydrophobicContact CG2-CD2 4.4Å; V89-Y116 PolarHBondContact N-O 2.91Å; L114-Y116 HydrophobicContact CD2-CE1 4.07Å; L114-Y116 PolarHBondContact O-N 3.43Å
117I98.3Very high97Very high15 Ų1562.5 Ų62.58%0.07733%0.325CS..EExtended strand (participates in β ladder)trans-110127.5-179-46.3-179.2000110.3L77 V89 N91 L114 N115 F119L77-I117 HydrophobicContact CB-CD1 3.94Å; L77-I117 HydrophobicContact CD1-CD1 4.08Å; L77-I117 HydrophobicContact CD2-CD1 4.39Å; L77-I117 HydrophobicContact CG-CD1 4.36Å; V89-I117 HydrophobicContact CB-CG1 4.31Å; V89-I117 HydrophobicContact CB-CG2 4.25Å; V89-I117 HydrophobicContact CG1-CG2 4.24Å; V89-I117 CarbonylContact O-C 3.58Å; V89-I117 WeakPolarHBondContact O-CA 3.48Å; N91-I117 HydrophobicContact CB-CG2 3.66Å; L114-I117 HydrophobicContact CB-CD1 4.45Å; L114-I117 HydrophobicContact CD2-CD1 4.12Å; L114-I117 PolarHBondContact O-N 3.32Å; N115-I117 VanDerWaalsContact C-N 3.26Å; I117-F119 HydrophobicContact CB-CD2 4.25Å; I117-F119 HydrophobicContact CB-CE2 3.66Å; I117-F119 HydrophobicContact CB-CZ 4.09Å; I117-F119 HydrophobicContact CD1-CE2 4.4Å; I117-F119 HydrophobicContact CD1-CZ 4.09Å; I117-F119 HydrophobicContact CG2-CD1 4.44Å; I117-F119 HydrophobicContact CG2-CD2 3.87Å; I117-F119 HydrophobicContact CG2-CE1 4.11Å; I117-F119 HydrophobicContact CG2-CE2 3.51Å; I117-F119 HydrophobicContact CG2-CG 4.33Å; I117-F119 HydrophobicContact CG2-CZ 3.64Å
118K98.4Very high96.9Very high127 Ų12765.5 Ų65.555%0.55234%0.338SS*.EExtended strand (participates in β ladder)trans-99.2112.3166.8-178-174.7170.9-162.30109.4V89 D90 N91V89-K118 PolarHBondContact O-N 2.78Å; D90-K118 WeakPolarHBondContact OD1-CB 2.98Å; D90-K118 WeakPolarHBondContact OD1-CD 3.38Å; N91-K118 PolarHBondContact N-O 3.14Å
119F98.6Very high96.9Very high34 Ų3464.6 Ų64.615%0.14933%0.332CS..EExtended strand (participates in β ladder)trans-86.5131.6178.1-67.6-93.2000112L74 L77 N91 V93 Y104 V108 I117 W121L74-F119 HydrophobicContact CD2-CE1 4.3Å; L74-F119 HydrophobicContact CD2-CZ 3.89Å; L77-F119 HydrophobicContact CD1-CE1 4.26Å; L77-F119 HydrophobicContact CD1-CZ 4.43Å; N91-F119 HydrophobicContact CB-CD1 4.19Å; N91-F119 HydrophobicContact CB-CE1 4.34Å; N91-F119 WeakPolarHBondContact ND2-CD1 3.12Å; N91-F119 VanDerWaalsContact ND2-CE1 3.34Å; N91-F119 WeakPolarHBondContact ND2-CE1 3.44Å; N91-F119 CarbonylContact O-C 3.58Å; N91-F119 WeakPolarHBondContact O-CA 3.03Å; V93-F119 HydrophobicContact CG2-CD1 4.41Å; Y104-F119 HydrophobicContact CE2-CE1 4.08Å; V108-F119 HydrophobicContact CG1-CD2 3.97Å; V108-F119 HydrophobicContact CG1-CE2 3.74Å; V108-F119 HydrophobicContact CG1-CZ 4.32Å; V108-F119 HydrophobicContact CG2-CE1 4.05Å; V108-F119 HydrophobicContact CG2-CE2 4.08Å; V108-F119 HydrophobicContact CG2-CZ 3.81Å; I117-F119 HydrophobicContact CB-CD2 4.25Å; I117-F119 HydrophobicContact CB-CE2 3.66Å; I117-F119 HydrophobicContact CB-CZ 4.09Å; I117-F119 HydrophobicContact CD1-CE2 4.4Å; I117-F119 HydrophobicContact CD1-CZ 4.09Å; I117-F119 HydrophobicContact CG2-CD1 4.44Å; I117-F119 HydrophobicContact CG2-CD2 3.87Å; I117-F119 HydrophobicContact CG2-CE1 4.11Å; I117-F119 HydrophobicContact CG2-CE2 3.51Å; I117-F119 HydrophobicContact CG2-CG 4.33Å; I117-F119 HydrophobicContact CG2-CZ 3.64Å; F119-W121 HydrophobicContact CB-CD2 4.43Å; F119-W121 HydrophobicContact CB-CH2 4.27Å; F119-W121 HydrophobicContact CB-CZ2 3.54Å; F119-W121 AromaticContact CD1-CH2 3.69Å; F119-W121 HydrophobicContact CD1-CH2 3.69Å; F119-W121 AromaticContact CD1-CZ2 3.79Å; F119-W121 HydrophobicContact CD1-CZ2 3.79Å; F119-W121 HydrophobicContact CD1-CZ3 4.38Å; F119-W121 HydrophobicContact CE1-CH2 4.32Å; F119-W121 HydrophobicContact CG-CH2 4.12Å; F119-W121 AromaticContact CG-CZ2 3.71Å; F119-W121 HydrophobicContact CG-CZ2 3.71Å
120T98.3Very high96.8Very high49 Ų4961.7 Ų61.730%0.30131%0.308SS..EExtended strand (participates in β ladder)trans-114.1121.4166.6-58.40000108.7N91 V93N91-T120 PolarHBondContact O-N 3.24Å; V93-T120 PolarHBondContact N-O 2.92Å
121W98.4Very high96.7Very high66 Ų6661.7 Ų61.725%0.2531%0.308CS..EExtended strand (participates in β ladder)trans-102110.9-174-53101.1000110.7V93 L101 Y104 K105 V108 F119V93-W121 HydrophobicContact CB-CE3 3.78Å; V93-W121 HydrophobicContact CB-CZ3 4.04Å; V93-W121 HydrophobicContact CG1-CE3 3.95Å; V93-W121 HydrophobicContact CG1-CZ3 4.07Å; V93-W121 HydrophobicContact CG2-CE3 3.91Å; V93-W121 HydrophobicContact CG2-CZ3 3.71Å; L101-W121 HydrophobicContact CD2-CE3 3.74Å; L101-W121 HydrophobicContact CD2-CZ3 4.44Å; Y104-W121 HydrophobicContact CD1-CH2 4.1Å; Y104-W121 AromaticContact CD1-CZ3 3.53Å; Y104-W121 HydrophobicContact CD1-CZ3 3.53Å; Y104-W121 AromaticContact CD2-CH2 3.64Å; Y104-W121 HydrophobicContact CD2-CH2 3.64Å; Y104-W121 AromaticContact CD2-CZ3 3.95Å; Y104-W121 HydrophobicContact CD2-CZ3 3.95Å; Y104-W121 HydrophobicContact CE1-CH2 4.34Å; Y104-W121 AromaticContact CE1-CZ3 3.91Å; Y104-W121 HydrophobicContact CE1-CZ3 3.91Å; Y104-W121 AromaticContact CE2-CH2 3.89Å; Y104-W121 HydrophobicContact CE2-CH2 3.89Å; Y104-W121 HydrophobicContact CE2-CZ3 4.27Å; Y104-W121 AromaticContact CG-CH2 3.7Å; Y104-W121 HydrophobicContact CG-CH2 3.7Å; Y104-W121 AromaticContact CG-CZ3 3.52Å; Y104-W121 HydrophobicContact CG-CZ3 3.52Å; K105-W121 HydrophobicContact CD-CD2 4.45Å; K105-W121 HydrophobicContact CD-CG 4.46Å; K105-W121 VanDerWaalsContact CE-CD1 3.44Å; K105-W121 HydrophobicContact CG-CD2 3.92Å; K105-W121 HydrophobicContact CG-CE3 4.37Å; K105-W121 HydrophobicContact CG-CG 4.41Å; K105-W121 HydrophobicContact CG-CH2 4.25Å; K105-W121 HydrophobicContact CG-CZ2 3.79Å; V108-W121 HydrophobicContact CG2-CH2 4.03Å; V108-W121 HydrophobicContact CG2-CZ2 4.29Å; F119-W121 HydrophobicContact CB-CD2 4.43Å; F119-W121 HydrophobicContact CB-CH2 4.27Å; F119-W121 HydrophobicContact CB-CZ2 3.54Å; F119-W121 AromaticContact CD1-CH2 3.69Å; F119-W121 HydrophobicContact CD1-CH2 3.69Å; F119-W121 AromaticContact CD1-CZ2 3.79Å; F119-W121 HydrophobicContact CD1-CZ2 3.79Å; F119-W121 HydrophobicContact CD1-CZ3 4.38Å; F119-W121 HydrophobicContact CE1-CH2 4.32Å; F119-W121 HydrophobicContact CG-CH2 4.12Å; F119-W121 AromaticContact CG-CZ2 3.71Å; F119-W121 HydrophobicContact CG-CZ2 3.71Å
122N97.9Very high96.5Very high8 Ų865.2 Ų65.24%0.04332%0.32CS..EExtended strand (participates in β ladder)trans-107.9104.4178.8-61.5-72.1000109.9V93 V94 E95 M124 R132V93-N122 WeakPolarHBondContact O-CA 3.34Å; V93-N122 WeakPolarHBondContact O-CB 3.42Å; V93-N122 PolarHBondContact O-N 3.45Å; V93-N122 PolarHBondContact O-ND2 2.92Å; V94-N122 HydrophobicContact CG2-CB 4.47Å; E95-N122 PolarHBondContact N-O 2.99Å; N122-M124 VanDerWaalsContact C-N 3.34Å; N122-M124 HydrophobicContact CB-CE 3.69Å; N122-M124 HydrophobicContact CB-CG 3.99Å; N122-M124 HydrophobicContact CB-SD 3.95Å; N122-M124 PolarHBondContact O-N 3Å; N122-R132 PolarHBondContact OD1-NH1 3.17Å
123K97.9Very high96.5Very high129 Ų12961.8 Ų61.856%0.56129%0.293SS*.  trans-77.286170.6-171.5-169.5170.4-178.90109.8E95 P96 S98 L101E95-K123 VanDerWaalsContact O-CA 3.32Å; E95-K123 WeakPolarHBondContact O-CA 3.41Å; P96-K123 VanDerWaalsContact O-CE 3.22Å; P96-K123 WeakPolarHBondContact O-CE 3.45Å; P96-K123 WeakPolarHBondContact O-CG 3.35Å; S98-K123 WeakPolarHBondContact OG-CD 3.37Å; S98-K123 WeakPolarHBondContact OG-CE 3.3Å; S98-K123 PolarHBondContact OG-NZ 3.26Å; L101-K123 HydrophobicContact CD1-CB 3.59Å; L101-K123 HydrophobicContact CD1-CG 3.98Å
124M97.4Very high96.3Very high26 Ų2662.5 Ų62.513%0.12829%0.294CS..SBendtrans-164160.8179.861-164.865.300110.8V94 E95 P96 N122 E128 F129 R132V94-M124 HydrophobicContact CG1-CG 4.03Å; V94-M124 WeakPolarHBondContact CG1-O 3.43Å; E95-M124 CarbonylContact C-O 3.6Å; E95-M124 PolarHBondContact N-O 3.02Å; E95-M124 PolarHBondContact O-N 3.43Å; P96-M124 WeakPolarHBondContact CD-O 3.14Å; N122-M124 VanDerWaalsContact C-N 3.34Å; N122-M124 HydrophobicContact CB-CE 3.69Å; N122-M124 HydrophobicContact CB-CG 3.99Å; N122-M124 HydrophobicContact CB-SD 3.95Å; N122-M124 PolarHBondContact O-N 3Å; M124-E128 WeakPolarHBondContact CA-OE2 3.35Å; M124-E128 HydrophobicContact CB-CB 3.88Å; M124-F129 HydrophobicContact CG-CB 4.15Å; M124-F129 HydrophobicContact SD-CB 3.94Å; M124-F129 HydrophobicContact SD-CD2 4.03Å; M124-F129 HydrophobicContact SD-CG 4.49Å; M124-R132 VanDerWaalsContact CE-NH1 3.26Å
125T96.8Very high96.1Very high53 Ų5368.8 Ų68.833%0.32533%0.327SS..  trans-73.2165.9169.762.80000111.5P96 S127 E128 F129P96-T125 HydrophobicContact CB-CG2 4.02Å; P96-T125 HydrophobicContact CG-CG2 4.42Å; T125-S127 VanDerWaalsContact C-N 3.27Å; T125-S127 PolarHBondContact O-N 3.09Å; T125-E128 PolarHBondContact N-OE2 3.19Å; T125-E128 PolarHBondContact O-N 3.12Å; T125-E128 WeakPolarHBondContact OG1-CB 3.13Å; T125-E128 VanDerWaalsContact OG1-CG 3.29Å; T125-E128 WeakPolarHBondContact OG1-CG 2.97Å; T125-E128 PolarHBondContact OG1-N 3.38Å; T125-E128 PolarHBondContact OG1-OE2 3.02Å; T125-F129 WeakPolarHBondContact O-CB 3.3Å; T125-F129 PolarHBondContact O-N 3.12Å
126A97.2Very high95.8Very high6 Ų665 Ų655%0.0531%0.312CS..Hα-helixtrans-58.3-38.5173.100000112.6V65 F129 E130 M150 V154 T160 F164V65-A126 HydrophobicContact CG1-CB 3.79Å; A126-F129 PolarHBondContact O-N 2.88Å; A126-E130 PolarHBondContact O-N 3.43Å; A126-M150 HydrophobicContact CB-CE 4.16Å; A126-V154 HydrophobicContact CB-CG1 4.16Å; A126-T160 HydrophobicContact CB-CG2 4.33Å; A126-F164 HydrophobicContact CB-CE2 4.13Å; A126-F164 HydrophobicContact CB-CZ 4.44Å
127S95.9Very high95Very high51 Ų5172.3 Ų72.336%0.35735%0.347SS..Hα-helixtrans-67.5-44.9178.6-54.10000112.2T125 F129 E130 E131T125-S127 VanDerWaalsContact C-N 3.27Å; T125-S127 PolarHBondContact O-N 3.09Å; S127-F129 VanDerWaalsContact C-N 3.31Å; S127-F129 PolarHBondContact O-N 2.95Å; S127-E130 WeakPolarHBondContact O-CB 3.46Å; S127-E130 PolarHBondContact O-N 3.07Å; S127-E131 WeakPolarHBondContact O-CG 3.26Å; S127-E131 PolarHBondContact O-N 3.31Å
128E97.2Very high94.4Very high97 Ų9774.2 Ų74.245%0.45336%0.36SS..Hα-helixtrans-64.8-36.8175.8-72.8166.2139.800111.6M124 T125 E131 R132M124-E128 WeakPolarHBondContact CA-OE2 3.35Å; M124-E128 HydrophobicContact CB-CB 3.88Å; T125-E128 PolarHBondContact N-OE2 3.19Å; T125-E128 PolarHBondContact O-N 3.12Å; T125-E128 WeakPolarHBondContact OG1-CB 3.13Å; T125-E128 VanDerWaalsContact OG1-CG 3.29Å; T125-E128 WeakPolarHBondContact OG1-CG 2.97Å; T125-E128 PolarHBondContact OG1-N 3.38Å; T125-E128 PolarHBondContact OG1-OE2 3.02Å; E128-E131 PolarHBondContact O-N 3.21Å; E128-R132 VanDerWaalsContact O-CB 3.31Å; E128-R132 WeakPolarHBondContact O-CB 3.25Å; E128-R132 PolarHBondContact O-N 3.23Å
129F97Very high93.8Very high6 Ų674.4 Ų74.43%0.02637%0.371CS..Hα-helixtrans-61.6-45172.3-178.9-90.6000111.2I63 V94 M124 T125 A126 S127 R132 W133 F163 F164 L167I63-F129 HydrophobicContact CD1-CZ 4.32Å; V94-F129 HydrophobicContact CG1-CB 3.87Å; V94-F129 HydrophobicContact CG1-CD2 4.42Å; V94-F129 HydrophobicContact CG1-CG 4.29Å; V94-F129 HydrophobicContact CG2-CB 4.28Å; V94-F129 HydrophobicContact CG2-CD1 4.45Å; V94-F129 HydrophobicContact CG2-CD2 3.36Å; V94-F129 HydrophobicContact CG2-CE2 3.7Å; V94-F129 HydrophobicContact CG2-CG 3.78Å; V94-F129 HydrophobicContact CG2-CZ 4.38Å; M124-F129 HydrophobicContact CG-CB 4.15Å; M124-F129 HydrophobicContact SD-CB 3.94Å; M124-F129 HydrophobicContact SD-CD2 4.03Å; M124-F129 HydrophobicContact SD-CG 4.49Å; T125-F129 WeakPolarHBondContact O-CB 3.3Å; T125-F129 PolarHBondContact O-N 3.12Å; A126-F129 PolarHBondContact O-N 2.88Å; S127-F129 VanDerWaalsContact C-N 3.31Å; S127-F129 PolarHBondContact O-N 2.95Å; F129-R132 PolarHBondContact O-N 3.07Å; F129-W133 HydrophobicContact CE1-CD2 4.5Å; F129-W133 AromaticContact CE1-CE3 3.91Å; F129-W133 HydrophobicContact CE1-CE3 3.91Å; F129-W133 AromaticContact CZ-CE3 3.66Å; F129-W133 HydrophobicContact CZ-CE3 3.66Å; F129-W133 HydrophobicContact CZ-CZ3 4.05Å; F129-W133 VanDerWaalsContact O-CB 3.23Å; F129-W133 WeakPolarHBondContact O-CB 3.19Å; F129-W133 PolarHBondContact O-N 2.87Å; F129-F163 HydrophobicContact CD1-CE1 4.14Å; F129-F163 HydrophobicContact CE1-CE1 4.41Å; F129-F164 AromaticContact CD1-CE1 3.81Å; F129-F164 HydrophobicContact CD1-CE1 3.81Å; F129-F164 AromaticContact CD1-CZ 3.76Å; F129-F164 HydrophobicContact CD1-CZ 3.76Å; F129-F164 AromaticContact CE1-CE1 3.81Å; F129-F164 HydrophobicContact CE1-CE1 3.81Å; F129-F164 HydrophobicContact CE1-CZ 4.25Å; F129-L167 HydrophobicContact CE1-CD1 4.18Å
130E95.4Very high93.4Very high33 Ų3375.3 Ų75.315%0.15438%0.375CS..Hα-helixtrans-59.1-46.7175.6173.8171.2179.200112.4A126 S127 W133 K134 F163A126-E130 PolarHBondContact O-N 3.43Å; S127-E130 WeakPolarHBondContact O-CB 3.46Å; S127-E130 PolarHBondContact O-N 3.07Å; E130-W133 PolarHBondContact O-N 3.23Å; E130-K134 HydrophobicContact CG-CD 4.21Å; E130-K134 WeakPolarHBondContact O-CG 3.23Å; E130-K134 PolarHBondContact O-N 3.23Å; E130-K134 WeakPolarHBondContact OE1-CE 3.46Å; E130-K134 IonicContact OE1-NZ 4Å; E130-K134 PolarHBondContact OE1-NZ 2.84Å; E130-F163 HydrophobicContact CB-CD1 3.69Å; E130-F163 HydrophobicContact CB-CD2 4.4Å; E130-F163 HydrophobicContact CB-CE1 3.51Å; E130-F163 HydrophobicContact CB-CE2 4.24Å; E130-F163 HydrophobicContact CB-CG 4.14Å; E130-F163 HydrophobicContact CB-CZ 3.81Å; E130-F163 VanDerWaalsContact CD-CG 3.43Å; E130-F163 HydrophobicContact CG-CB 4.46Å; E130-F163 HydrophobicContact CG-CD1 3.75Å; E130-F163 HydrophobicContact CG-CD2 3.63Å; E130-F163 HydrophobicContact CG-CE1 3.85Å; E130-F163 HydrophobicContact CG-CE2 3.72Å; E130-F163 HydrophobicContact CG-CG 3.65Å; E130-F163 HydrophobicContact CG-CZ 3.84Å
131E94.7Very high93.2Very high126 Ų12676.4 Ų76.459%0.58938%0.376SS*.Hα-helixtrans-60.7-48.7176.8-72.1176.6-176.100111.6S127 E128 W133 K134 L135S127-E131 WeakPolarHBondContact O-CG 3.26Å; S127-E131 PolarHBondContact O-N 3.31Å; E128-E131 PolarHBondContact O-N 3.21Å; E131-W133 VanDerWaalsContact C-N 3.31Å; E131-W133 PolarHBondContact O-N 3.38Å; E131-K134 PolarHBondContact O-N 3.19Å; E131-L135 WeakPolarHBondContact O-CG 3.35Å; E131-L135 PolarHBondContact O-N 2.86Å; E131-L135 VanDerWaalsContact O-N 3.11Å
132R94.1Very high93.2Very high134 Ų13473.3 Ų73.351%0.50636%0.364SS..Hα-helixtrans-60.8-41.7177.2-178.6180176.3-160.4-3.2111.6N122 M124 E128 F129 L135 S136N122-R132 PolarHBondContact OD1-NH1 3.17Å; M124-R132 VanDerWaalsContact CE-NH1 3.26Å; E128-R132 VanDerWaalsContact O-CB 3.31Å; E128-R132 WeakPolarHBondContact O-CB 3.25Å; E128-R132 PolarHBondContact O-N 3.23Å; F129-R132 PolarHBondContact O-N 3.07Å; R132-L135 PolarHBondContact O-N 3.32Å; R132-S136 WeakPolarHBondContact O-CB 3.41Å; R132-S136 PolarHBondContact O-N 2.83Å
133W92.3Very high93.2Very high35 Ų3573 Ų7313%0.13336%0.362CS..Hα-helixtrans-61-48.6178.8-175.1-83.1000111F129 E130 E131 L135 S136 T138 K140 F163 L167F129-W133 HydrophobicContact CE1-CD2 4.5Å; F129-W133 AromaticContact CE1-CE3 3.91Å; F129-W133 HydrophobicContact CE1-CE3 3.91Å; F129-W133 AromaticContact CZ-CE3 3.66Å; F129-W133 HydrophobicContact CZ-CE3 3.66Å; F129-W133 HydrophobicContact CZ-CZ3 4.05Å; F129-W133 VanDerWaalsContact O-CB 3.23Å; F129-W133 WeakPolarHBondContact O-CB 3.19Å; F129-W133 PolarHBondContact O-N 2.87Å; E130-W133 PolarHBondContact O-N 3.23Å; E131-W133 VanDerWaalsContact C-N 3.31Å; E131-W133 PolarHBondContact O-N 3.38Å; W133-L135 PolarHBondContact O-N 2.92Å; W133-S136 PolarHBondContact O-N 3Å; W133-S136 VanDerWaalsContact O-N 3.1Å; W133-S136 PolarHBondContact O-OG 2.94Å; W133-T138 HydrophobicContact CD2-CG2 3.65Å; W133-T138 HydrophobicContact CE3-CG2 3.86Å; W133-T138 HydrophobicContact CG-CG2 4.37Å; W133-T138 HydrophobicContact CH2-CG2 3.69Å; W133-T138 HydrophobicContact CZ2-CG2 3.43Å; W133-T138 VanDerWaalsContact CZ2-CG2 3.43Å; W133-T138 HydrophobicContact CZ3-CG2 3.87Å; W133-K140 HydrophobicContact CH2-CB 3.87Å; W133-K140 HydrophobicContact CH2-CG 4.36Å; W133-K140 WeakPolarHBondContact CH2-O 3.2Å; W133-K140 HydrophobicContact CZ2-CB 4.49Å; W133-K140 WeakPolarHBondContact CZ2-O 3.44Å; W133-F163 HydrophobicContact CB-CE2 4.48Å; W133-F163 HydrophobicContact CB-CZ 3.87Å; W133-F163 AromaticContact CD1-CE2 3.99Å; W133-F163 AromaticContact CD1-CZ 4Å; W133-F163 HydrophobicContact CG-CE2 4.34Å; W133-F163 AromaticContact CG-CZ 3.9Å; W133-F163 HydrophobicContact CG-CZ 3.9Å; W133-L167 HydrophobicContact CD2-CD1 4.3Å; W133-L167 HydrophobicContact CD2-CD2 4.29Å; W133-L167 HydrophobicContact CG-CD2 4.47Å; W133-L167 HydrophobicContact CZ2-CD1 4.37Å; W133-L167 HydrophobicContact CZ2-CD2 3.84Å; W133-L167 VanDerWaalsContact NE1-CD2 3.34Å
134K90Very high93.2Very high132 Ų13267 Ų6757%0.57434%0.336SS*.Hα-helixtrans-58.4-34.8176.9-72.6171.9-176.7171.20112.7E130 E131E130-K134 HydrophobicContact CG-CD 4.21Å; E130-K134 WeakPolarHBondContact O-CG 3.23Å; E130-K134 PolarHBondContact O-N 3.23Å; E130-K134 WeakPolarHBondContact OE1-CE 3.46Å; E130-K134 IonicContact OE1-NZ 4Å; E130-K134 PolarHBondContact OE1-NZ 2.84Å; E131-K134 PolarHBondContact O-N 3.19Å
135L91.8Very high93.3Very high148 Ų14865.7 Ų65.778%0.77533%0.33SS*.Hα-helixtrans-78.5-24.4177.4-68.4172.2000114E131 R132 W133 E137E131-L135 WeakPolarHBondContact O-CG 3.35Å; E131-L135 PolarHBondContact O-N 2.86Å; E131-L135 VanDerWaalsContact O-N 3.11Å; R132-L135 PolarHBondContact O-N 3.32Å; W133-L135 PolarHBondContact O-N 2.92Å; L135-E137 VanDerWaalsContact C-N 3.29Å; L135-E137 PolarHBondContact O-N 2.98Å
136S87.2Confident93.4Very high63 Ų6363.3 Ų63.344%0.44132%0.315SS..THydrogen-bonded Turntrans-77.2-9.9-173.170.60000114.9R132 W133 T138R132-S136 WeakPolarHBondContact O-CB 3.41Å; R132-S136 PolarHBondContact O-N 2.83Å; W133-S136 PolarHBondContact O-N 3Å; W133-S136 VanDerWaalsContact O-N 3.1Å; W133-S136 PolarHBondContact O-OG 2.94Å; S136-T138 PolarHBondContact O-N 3.08Å; S136-T138 WeakPolarHBondContact OG-CG2 3.12Å; S136-T138 PolarHBondContact OG-N 2.76Å
137E80.9Confident93.4Very high180 Ų18063 Ų6384%0.84131%0.313SS*.THydrogen-bonded Turntrans49.520.3-172.1-60.3-171.5162.500114.2L135L135-E137 VanDerWaalsContact C-N 3.29Å; L135-E137 PolarHBondContact O-N 2.98Å
138T85.6Confident93.6Very high56 Ų5661.4 Ų61.434%0.34430%0.3SS..  trans-67.9139.2-178-171.80000111.3W133 S136 K140W133-T138 HydrophobicContact CD2-CG2 3.65Å; W133-T138 HydrophobicContact CE3-CG2 3.86Å; W133-T138 HydrophobicContact CG-CG2 4.37Å; W133-T138 HydrophobicContact CH2-CG2 3.69Å; W133-T138 HydrophobicContact CZ2-CG2 3.43Å; W133-T138 VanDerWaalsContact CZ2-CG2 3.43Å; W133-T138 HydrophobicContact CZ3-CG2 3.87Å; S136-T138 PolarHBondContact O-N 3.08Å; S136-T138 WeakPolarHBondContact OG-CG2 3.12Å; S136-T138 PolarHBondContact OG-N 2.76Å; T138-K140 WeakPolarHBondContact OG1-CB 3.2Å; T138-K140 PolarHBondContact OG1-N 3.09Å
139T85.1Confident93.5Very high131 Ų13158.6 Ų58.680%0.80429%0.287SS*.  trans-98.34.5172.257.50000112.4K141T139-K141 PolarHBondContact O-N 2.79Å
140K89.8Confident93.5Very high52 Ų5259.1 Ų59.123%0.22629%0.29CS..  trans-55139178.9-173.5176.3-176.9-177.30109.8N61 D90 E92 W133 T138N61-K140 WeakPolarHBondContact OD1-CE 3.41Å; N61-K140 PolarHBondContact OD1-NZ 3.42Å; D90-K140 IonicContact OD2-NZ 2.7Å; E92-K140 WeakPolarHBondContact OE1-CE 3.36Å; E92-K140 IonicContact OE1-NZ 3.99Å; E92-K140 PolarHBondContact OE1-NZ 2.86Å; W133-K140 HydrophobicContact CH2-CB 3.87Å; W133-K140 HydrophobicContact CH2-CG 4.36Å; W133-K140 WeakPolarHBondContact CH2-O 3.2Å; W133-K140 HydrophobicContact CZ2-CB 4.49Å; W133-K140 WeakPolarHBondContact CZ2-O 3.44Å; T138-K140 WeakPolarHBondContact OG1-CB 3.2Å; T138-K140 PolarHBondContact OG1-N 3.09Å
141K95Very high93.5Very high73 Ų7357.5 Ų57.532%0.31728%0.282SS..  trans-122.4149.8175.1-65.8-64.1-176.9-177.40109.9N61 T139 S166 L167 D169N61-K141 VanDerWaalsContact CB-O 3.29Å; N61-K141 WeakPolarHBondContact CB-O 3.41Å; N61-K141 PolarHBondContact ND2-O 2.92Å; T139-K141 PolarHBondContact O-N 2.79Å; K141-S166 PolarHBondContact NZ-O 3.36Å; K141-L167 CarbonylContact C-O 3.52Å; K141-L167 VanDerWaalsContact CA-O 3.31Å; K141-L167 WeakPolarHBondContact CA-O 3.21Å; K141-L167 VanDerWaalsContact CD-O 3.23Å; K141-L167 WeakPolarHBondContact CD-O 3.47Å; K141-D169 HydrophobicContact CB-CB 3.54Å; K141-D169 HydrophobicContact CG-CB 4.48Å
142A97.2Very high93.4Very high1 Ų152.4 Ų52.41%0.00826%0.258CS..EExtended strand (participates in β ladder)trans-98.7135.2-178.300000110.9I63 I145 L167 L168 D169I63-A142 HydrophobicContact CD1-CB 3.83Å; I63-A142 HydrophobicContact CG1-CB 4.05Å; A142-I145 HydrophobicContact CB-CD1 3.75Å; A142-I145 HydrophobicContact CB-CG1 3.5Å; A142-I145 VanDerWaalsContact CB-CG1 3.5Å; A142-L167 PolarHBondContact N-O 2.89Å; A142-L168 CarbonylContact O-C 3.55Å; A142-L168 WeakPolarHBondContact O-CA 3.26Å; A142-D169 PolarHBondContact O-N 2.8Å
143D98.1Very high93.2Very high0 Ų050.1 Ų50.10%025%0.25CC..EExtended strand (participates in β ladder)trans-84.1-33.5174.8-68.8-69.9000111I53 K57 L60 N61 G172 K173I53-D143 HydrophobicContact CG2-CB 3.62Å; I53-D143 VanDerWaalsContact CG2-O 3.27Å; I53-D143 WeakPolarHBondContact CG2-O 3.44Å; K57-D143 IonicContact NZ-OD1 3.85Å; K57-D143 PolarHBondContact NZ-OD1 3.4Å; K57-D143 IonicContact NZ-OD2 2.67Å; K57-D143 PolarHBondContact NZ-OD2 2.85Å; L60-D143 WeakPolarHBondContact CA-OD2 3.36Å; L60-D143 HydrophobicContact CB-CB 4.25Å; L60-D143 HydrophobicContact CD2-CB 3.91Å; N61-D143 PolarHBondContact N-OD2 3.39Å; N61-D143 PolarHBondContact O-N 2.86Å; D143-G172 WeakPolarHBondContact O-CA 3.43Å; D143-K173 PolarHBondContact O-N 3.4Å; D143-K173 VanDerWaalsContact O-N 3.13Å
144F98.6Very high93.2Very high3 Ų348.8 Ų48.81%0.01325%0.245CC..EExtended strand (participates in β ladder)trans-142.6131.1175.7-174-127.5000110.1L46 L50 I53 N61 V62 I63 M76 H146 K173 L175L46-F144 HydrophobicContact CD1-CE2 4.49Å; L46-F144 HydrophobicContact CD1-CZ 4.22Å; L50-F144 HydrophobicContact CD2-CD1 4.38Å; L50-F144 HydrophobicContact CD2-CD2 3.98Å; L50-F144 HydrophobicContact CD2-CE1 4.3Å; L50-F144 HydrophobicContact CD2-CE2 3.88Å; L50-F144 HydrophobicContact CD2-CG 4.23Å; L50-F144 HydrophobicContact CD2-CZ 4.06Å; I53-F144 HydrophobicContact CD1-CB 4.06Å; I53-F144 HydrophobicContact CD1-CD2 3.74Å; I53-F144 HydrophobicContact CD1-CG 4.18Å; N61-F144 PolarHBondContact O-N 2.86Å; V62-F144 CarbonylContact C-O 3.53Å; V62-F144 VanDerWaalsContact CA-O 3.25Å; V62-F144 WeakPolarHBondContact CA-O 3.2Å; V62-F144 HydrophobicContact CG1-CB 4.43Å; V62-F144 HydrophobicContact CG1-CD1 3.99Å; V62-F144 HydrophobicContact CG2-CB 4.22Å; I63-F144 PolarHBondContact N-O 3.23Å; M76-F144 HydrophobicContact CB-CE1 4.34Å; M76-F144 HydrophobicContact SD-CE1 4.18Å; M76-F144 HydrophobicContact SD-CZ 4.17Å; F144-H146 HydrophobicContact CE1-CB 4.26Å; F144-H146 AromaticContact CE1-CD2 3.78Å; F144-H146 HydrophobicContact CZ-CB 4.22Å; F144-K173 WeakPolarHBondContact CA-O 3.37Å; F144-K173 HydrophobicContact CD2-CB 4.16Å; F144-L175 HydrophobicContact CE2-CB 3.81Å; F144-L175 HydrophobicContact CE2-CD2 4.46Å; F144-L175 HydrophobicContact CZ-CB 3.97Å; F144-L175 HydrophobicContact CZ-CD2 3.89Å
145I98.8Very high93.3Very high0 Ų050.6 Ų50.60%025%0.253CS..EExtended strand (participates in β ladder)trans-125137.8172.6-54.6175.5000107I63 V65 A142 F164 L167 L168 K173 L174 L175I63-I145 HydrophobicContact CB-CG1 4.19Å; I63-I145 HydrophobicContact CB-CG2 4.28Å; I63-I145 HydrophobicContact CD1-CD1 4.46Å; I63-I145 HydrophobicContact CD1-CG1 4.45Å; I63-I145 HydrophobicContact CG1-CG1 4.5Å; I63-I145 VanDerWaalsContact O-CA 3.3Å; I63-I145 WeakPolarHBondContact O-CA 3.41Å; V65-I145 HydrophobicContact CG2-CG2 4.13Å; A142-I145 HydrophobicContact CB-CD1 3.75Å; A142-I145 HydrophobicContact CB-CG1 3.5Å; A142-I145 VanDerWaalsContact CB-CG1 3.5Å; I145-F164 HydrophobicContact CD1-CB 4.23Å; I145-F164 HydrophobicContact CD1-CD1 4.3Å; I145-F164 WeakPolarHBondContact CD1-O 3.31Å; I145-F164 HydrophobicContact CG2-CB 4.35Å; I145-F164 HydrophobicContact CG2-CD1 3.98Å; I145-F164 HydrophobicContact CG2-CG 4.46Å; I145-L167 HydrophobicContact CD1-CB 4.03Å; I145-L168 HydrophobicContact CB-CD2 4.4Å; I145-L168 HydrophobicContact CD1-CD2 3.66Å; I145-L168 HydrophobicContact CD1-CG 4.3Å; I145-L168 HydrophobicContact CG1-CD2 3.82Å; I145-K173 PolarHBondContact N-O 3.01Å; I145-L174 HydrophobicContact CB-CD1 3.8Å; I145-L174 HydrophobicContact CG2-CD1 3.6Å; I145-L174 CarbonylContact O-C 3.5Å; I145-L174 WeakPolarHBondContact O-CA 3.26Å; I145-L175 PolarHBondContact O-N 2.8Å
146H98.9Very high93.3Very high2 Ų247.9 Ų47.91%0.00924%0.239CC..EExtended strand (participates in β ladder)trans-132.1141.3173.461.780000112.5I63 G64 V65 D73 M76 F144 I148 L175I63-H146 PolarHBondContact O-N 3.25Å; G64-H146 WeakPolarHBondContact CA-CE1 3.38Å; G64-H146 WeakPolarHBondContact CA-NE2 3.41Å; V65-H146 PolarHBondContact N-O 3.12Å; D73-H146 IonicContact OD1-CE1 3.47Å; D73-H146 PolarHBondContact OD1-CE1 3.43Å; D73-H146 IonicContact OD1-ND1 3.92Å; D73-H146 IonicContact OD2-CE1 3.18Å; D73-H146 PolarHBondContact OD2-CE1 3.4Å; D73-H146 VanDerWaalsContact OD2-CE1 3.27Å; D73-H146 IonicContact OD2-NE2 3.54Å; M76-H146 HydrophobicContact CE-CB 3.94Å; M76-H146 WeakPolarHBondContact CE-ND1 3.44Å; M76-H146 HydrophobicContact SD-CB 4.3Å; F144-H146 HydrophobicContact CE1-CB 4.26Å; F144-H146 AromaticContact CE1-CD2 3.78Å; F144-H146 HydrophobicContact CZ-CB 4.22Å; H146-I148 HydrophobicContact CB-CD1 4.16Å; H146-I148 HydrophobicContact CB-CG1 4.42Å; H146-L175 CarbonylContact C-O 3.55Å; H146-L175 VanDerWaalsContact CA-O 3.26Å; H146-L175 WeakPolarHBondContact CA-O 3.33Å; H146-L175 HydrophobicContact CB-CB 4.16Å; H146-L175 HydrophobicContact CB-CD2 4.41Å
147M98.8Very high93.7Very high0 Ų045.5 Ų45.50%022%0.222CC..EExtended strand (participates in β ladder)trans-128.193.9177.3-65.3175179.300108.3V65 M150 L151 T160 F164 L174 L175 I176 I177V65-M147 HydrophobicContact CB-CG 4.08Å; V65-M147 HydrophobicContact CG2-CE 4.29Å; V65-M147 HydrophobicContact CG2-CG 4.23Å; M147-M150 HydrophobicContact CB-CG 4.03Å; M147-M150 HydrophobicContact CB-SD 3.93Å; M147-M150 HydrophobicContact CG-SD 4.05Å; M147-L151 HydrophobicContact SD-CD1 4.44Å; M147-L151 HydrophobicContact SD-CD2 3.87Å; M147-L151 HydrophobicContact SD-CG 4.37Å; M147-T160 HydrophobicContact CE-CG2 4.07Å; M147-F164 HydrophobicContact CE-CB 3.35Å; M147-F164 HydrophobicContact CE-CD1 4.06Å; M147-F164 HydrophobicContact CE-CD2 3.05Å; M147-F164 HydrophobicContact CE-CE2 3.8Å; M147-F164 HydrophobicContact CE-CG 3.2Å; M147-L174 HydrophobicContact CE-CD1 4.13Å; M147-L174 HydrophobicContact CG-CD1 4.26Å; M147-L174 HydrophobicContact SD-CD1 4.17Å; M147-L175 PolarHBondContact N-O 3.05Å; M147-I176 HydrophobicContact CB-CG1 4.3Å; M147-I176 WeakPolarHBondContact O-CA 3.24Å; M147-I176 HydrophobicContact SD-CG1 4.36Å; M147-I177 PolarHBondContact O-N 3.44Å
148I98.5Very high94.4Very high18 Ų1837 Ų379%0.09218%0.184CC..EExtended strand (participates in β ladder)trans-102.8117.4-174.3-48-56.5000108.2M38 I72 M76 H146 M150 L175 I177M38-I148 HydrophobicContact CE-CG2 3.96Å; M38-I148 HydrophobicContact SD-CG2 3.88Å; I72-I148 HydrophobicContact CG2-CG1 4.41Å; I72-I148 HydrophobicContact CG2-CG2 4.37Å; M76-I148 HydrophobicContact CE-CD1 4.27Å; M76-I148 HydrophobicContact CE-CG1 4.06Å; M76-I148 HydrophobicContact SD-CD1 4.38Å; H146-I148 HydrophobicContact CB-CD1 4.16Å; H146-I148 HydrophobicContact CB-CG1 4.42Å; I148-M150 PolarHBondContact O-N 3.17Å; I148-L175 HydrophobicContact CD1-CD2 4.16Å; I148-I177 HydrophobicContact CD1-CB 4.04Å; I148-I177 HydrophobicContact CD1-CD1 3.78Å; I148-I177 HydrophobicContact CD1-CG1 3.62Å; I148-I177 HydrophobicContact CG2-CB 4.22Å
149Q96.4Very high94.8Very high37 Ų3736.4 Ų36.417%0.17318%0.184CC..SBendtrans50.734.8174.3-61.5-68.642.100115.8E34 M38 Y152 I177 L178 L291E34-Q149 PolarHBondContact OE1-NE2 3.15Å; M38-Q149 HydrophobicContact CE-CG 3.54Å; Q149-Y152 HydrophobicContact CB-CE2 4.14Å; Q149-Y152 WeakPolarHBondContact O-CD2 3.23Å; Q149-Y152 VanDerWaalsContact OE1-CE2 3.25Å; Q149-Y152 VanDerWaalsContact OE1-CZ 3.3Å; Q149-Y152 PolarHBondContact OE1-OH 2.98Å; Q149-I177 PolarHBondContact N-O 3.29Å; Q149-L178 VanDerWaalsContact OE1-CA 3.31Å; Q149-L291 VanDerWaalsContact NE2-CD2 3.31Å
150M95.7Very high95.4Very high17 Ų1730.4 Ų30.48%0.08415%0.148CC..  trans-125.6-13.9-171.26780.859.500115.3V65 A126 M147 I148 Y152 Y153 V154V65-M150 HydrophobicContact CB-CE 4.08Å; V65-M150 HydrophobicContact CG1-CE 3.43Å; V65-M150 VanDerWaalsContact CG1-CE 3.43Å; V65-M150 HydrophobicContact CG1-SD 4.34Å; V65-M150 WeakPolarHBondContact O-CG 3.27Å; A126-M150 HydrophobicContact CB-CE 4.16Å; M147-M150 HydrophobicContact CB-CG 4.03Å; M147-M150 HydrophobicContact CB-SD 3.93Å; M147-M150 HydrophobicContact CG-SD 4.05Å; I148-M150 PolarHBondContact O-N 3.17Å; M150-Y152 PolarHBondContact O-N 3.39Å; M150-Y152 VanDerWaalsContact O-N 3.14Å; M150-Y153 WeakPolarHBondContact O-CD2 3.3Å; M150-Y153 PolarHBondContact O-N 2.96Å; M150-Y153 VanDerWaalsContact O-N 3.11Å; M150-V154 HydrophobicContact CE-CG1 4.45Å
151L96.4Very high95.8Very high0 Ų028 Ų280%014%0.137CC..G310 helixtrans-69.6-10.6-178.8-69.6172.8000113.2M147 Y153 V154 P157 T160 I161 I176 L178 V205M147-L151 HydrophobicContact SD-CD1 4.44Å; M147-L151 HydrophobicContact SD-CD2 3.87Å; M147-L151 HydrophobicContact SD-CG 4.37Å; L151-Y153 PolarHBondContact O-N 3.03Å; L151-V154 HydrophobicContact CD2-CG2 3.95Å; L151-V154 WeakPolarHBondContact O-CG2 3.41Å; L151-V154 PolarHBondContact O-N 3.31Å; L151-P157 HydrophobicContact CB-CB 4.48Å; L151-P157 HydrophobicContact CD2-CB 4.46Å; L151-T160 HydrophobicContact CD2-CG2 4.13Å; L151-I161 HydrophobicContact CD1-CD1 3.92Å; L151-I161 HydrophobicContact CD1-CG1 4.12Å; L151-I176 HydrophobicContact CD1-CD1 4.45Å; L151-I176 HydrophobicContact CD1-CG2 3.66Å; L151-L178 HydrophobicContact CB-CD1 4.18Å; L151-L178 HydrophobicContact CB-CD2 3.94Å; L151-L178 HydrophobicContact CD1-CD1 3.97Å; L151-L178 HydrophobicContact CD1-CG 4.48Å; L151-V205 HydrophobicContact CB-CG1 4.36Å
152Y91.7Very high95.9Very high19 Ų1926.7 Ų26.78%0.07514%0.137CC..G310 helixtrans-62.4-27170.9-44.7-66.1000112.5Q149 M150 L178 V179 W189 S202 Q203 V205Q149-Y152 HydrophobicContact CB-CE2 4.14Å; Q149-Y152 WeakPolarHBondContact O-CD2 3.23Å; Q149-Y152 VanDerWaalsContact OE1-CE2 3.25Å; Q149-Y152 VanDerWaalsContact OE1-CZ 3.3Å; Q149-Y152 PolarHBondContact OE1-OH 2.98Å; M150-Y152 PolarHBondContact O-N 3.39Å; M150-Y152 VanDerWaalsContact O-N 3.14Å; Y152-L178 HydrophobicContact CD2-CD2 4.47Å; Y152-L178 HydrophobicContact CE1-CD2 3.9Å; Y152-L178 HydrophobicContact CE2-CD2 3.8Å; Y152-L178 VanDerWaalsContact CZ-CD2 3.46Å; Y152-L178 WeakPolarHBondContact OH-CA 3.4Å; Y152-L178 WeakPolarHBondContact OH-CB 3.41Å; Y152-L178 WeakPolarHBondContact OH-CD2 3.5Å; Y152-V179 HydrophobicContact CE1-CG2 4.32Å; Y152-V179 PolarHBondContact OH-N 3.39Å; Y152-W189 HydrophobicContact CD1-CH2 4.01Å; Y152-W189 AromaticContact CE1-CH2 3.6Å; Y152-W189 HydrophobicContact CE1-CH2 3.6Å; Y152-W189 HydrophobicContact CE1-CZ3 4.13Å; Y152-S202 WeakPolarHBondContact CA-O 3.37Å; Y152-S202 CarbonylContact O-C 3.6Å; Y152-S202 PolarHBondContact O-N 2.66Å; Y152-Q203 PolarHBondContact O-N 3.49Å; Y152-V205 HydrophobicContact CD1-CG1 3.75Å; Y152-V205 HydrophobicContact CE1-CG1 4.15Å; Y152-V205 WeakPolarHBondContact CE1-O 3.46Å
153Y90.4Very high95.9Very high85 Ų8527.5 Ų27.533%0.33314%0.14SC..G310 helixtrans-100.87-171.9-48.1-65.3000113.1V15 Y21 M150 L151V15-Y153 HydrophobicContact CG1-CE1 4.18Å; Y21-Y153 PolarHBondContact OH-OH 2.56Å; Y21-Y153 VanDerWaalsContact OH-OH 3.04Å; M150-Y153 WeakPolarHBondContact O-CD2 3.3Å; M150-Y153 PolarHBondContact O-N 2.96Å; M150-Y153 VanDerWaalsContact O-N 3.11Å; L151-Y153 PolarHBondContact O-N 3.03Å
154V92.4Very high95.8Very high7 Ų727.5 Ų27.54%0.04214%0.14CC..SBendtrans-103.6152.3174.3-53.90000111.1A126 M150 L151 P157 T160 S202A126-V154 HydrophobicContact CB-CG1 4.16Å; M150-V154 HydrophobicContact CE-CG1 4.45Å; L151-V154 HydrophobicContact CD2-CG2 3.95Å; L151-V154 WeakPolarHBondContact O-CG2 3.41Å; L151-V154 PolarHBondContact O-N 3.31Å; V154-P157 HydrophobicContact CG2-CB 4.16Å; V154-P157 HydrophobicContact CG2-CG 3.85Å; V154-T160 HydrophobicContact CG1-CG2 4.44Å; V154-S202 VanDerWaalsContact O-CB 3.28Å; V154-S202 WeakPolarHBondContact O-CB 3.44Å; V154-S202 PolarHBondContact O-N 2.57Å; V154-S202 PolarHBondContact O-OG 3.33Å
155K91.1Very high95.7Very high170 Ų17028 Ų2874%0.73914%0.143SC*.SBendtrans-72.1-43.3-179.1-175.1175.6-178.9175.90112.5S202K155-S202 PolarHBondContact O-OG 2.89Å
156D92.9Very high95.6Very high91 Ų9131.1 Ų31.149%0.48717%0.165SC..  trans-132.591.5-179.8-175.5-18.3000109.7G158 A159 T160D156-G158 PolarHBondContact O-N 2.86Å; D156-G158 WeakPolarHBondContact OD1-CA 3.29Å; D156-G158 PolarHBondContact OD1-N 2.77Å; D156-A159 HydrophobicContact CB-CB 3.91Å; D156-A159 VanDerWaalsContact CG-CB 3.47Å; D156-A159 PolarHBondContact O-N 2.88Å; D156-A159 PolarHBondContact OD1-N 2.55Å; D156-T160 PolarHBondContact O-N 3.02Å; D156-T160 PolarHBondContact O-OG1 2.61Å; D156-T160 VanDerWaalsContact O-OG1 3.09Å
157P95Very high95.4Very high13 Ų1331.2 Ų31.28%0.08417%0.165CC..Hα-helixtrans-55.4-33.4177.9-26.733.7000112.3L151 V154 T160 I161 S202 V205 I210L151-P157 HydrophobicContact CB-CB 4.48Å; L151-P157 HydrophobicContact CD2-CB 4.46Å; V154-P157 HydrophobicContact CG2-CB 4.16Å; V154-P157 HydrophobicContact CG2-CG 3.85Å; P157-T160 PolarHBondContact O-N 3.38Å; P157-I161 WeakPolarHBondContact O-CB 3.44Å; P157-I161 WeakPolarHBondContact O-CD1 3.42Å; P157-I161 WeakPolarHBondContact O-CG1 3.34Å; P157-I161 PolarHBondContact O-N 3.02Å; P157-S202 WeakPolarHBondContact CD-OG 3.18Å; P157-S202 VanDerWaalsContact CG-CB 3.47Å; P157-S202 WeakPolarHBondContact CG-OG 3.44Å; P157-V205 HydrophobicContact CG-CG1 4.45Å; P157-V205 HydrophobicContact CG-CG2 4.34Å; P157-I210 HydrophobicContact CB-CD1 3.99Å
158G95.4Very high95.3Very high3 Ų331.2 Ų31.23%0.03117%0.165CC..Hα-helixtrans-71.1-41.3-178.500000113.4D156 S162 K217D156-G158 PolarHBondContact O-N 2.86Å; D156-G158 WeakPolarHBondContact OD1-CA 3.29Å; D156-G158 PolarHBondContact OD1-N 2.77Å; G158-S162 WeakPolarHBondContact O-CB 3.38Å; G158-S162 PolarHBondContact O-N 3.47Å; G158-S162 VanDerWaalsContact O-N 3.12Å; G158-S162 PolarHBondContact O-OG 2.79Å; G158-S162 VanDerWaalsContact O-OG 3.08Å; G158-K217 PolarHBondContact O-NZ 3.5Å
159A95.6Very high95.2Very high43 Ų4332.4 Ų32.436%0.35517%0.172SC..Hα-helixtrans-66.4-44.617200000111D156 I161 S162 F163D156-A159 HydrophobicContact CB-CB 3.91Å; D156-A159 VanDerWaalsContact CG-CB 3.47Å; D156-A159 PolarHBondContact O-N 2.88Å; D156-A159 PolarHBondContact OD1-N 2.55Å; A159-I161 PolarHBondContact O-N 3.41Å; A159-S162 PolarHBondContact O-N 3.06Å; A159-F163 PolarHBondContact O-N 3.29Å
160T97.5Very high95Very high5 Ų536.5 Ų36.53%0.03119%0.189CC..Hα-helixtrans-58.2-49.8177.3-59.90000111.5A126 M147 L151 V154 D156 P157 S162 F163 F164A126-T160 HydrophobicContact CB-CG2 4.33Å; M147-T160 HydrophobicContact CE-CG2 4.07Å; L151-T160 HydrophobicContact CD2-CG2 4.13Å; V154-T160 HydrophobicContact CG1-CG2 4.44Å; D156-T160 PolarHBondContact O-N 3.02Å; D156-T160 PolarHBondContact O-OG1 2.61Å; D156-T160 VanDerWaalsContact O-OG1 3.09Å; P157-T160 PolarHBondContact O-N 3.38Å; T160-S162 VanDerWaalsContact C-N 3.35Å; T160-S162 PolarHBondContact O-N 3.16Å; T160-F163 PolarHBondContact O-N 2.75Å; T160-F164 HydrophobicContact CG2-CD2 3.84Å; T160-F164 HydrophobicContact CG2-CE2 3.89Å; T160-F164 WeakPolarHBondContact O-CD2 3.19Å; T160-F164 PolarHBondContact O-N 2.94Å
161I97.6Very high94.9Very high1 Ų138.6 Ų38.61%0.00520%0.201CC..Hα-helixtrans-59.5-46.5177.2-69.8166.1000110.7L151 P157 A159 F163 F164 Q165 L174 I176 I210 L214 I296L151-I161 HydrophobicContact CD1-CD1 3.92Å; L151-I161 HydrophobicContact CD1-CG1 4.12Å; P157-I161 WeakPolarHBondContact O-CB 3.44Å; P157-I161 WeakPolarHBondContact O-CD1 3.42Å; P157-I161 WeakPolarHBondContact O-CG1 3.34Å; P157-I161 PolarHBondContact O-N 3.02Å; A159-I161 PolarHBondContact O-N 3.41Å; I161-F163 VanDerWaalsContact C-N 3.31Å; I161-F163 PolarHBondContact O-N 3.1Å; I161-F164 PolarHBondContact O-N 2.85Å; I161-Q165 WeakPolarHBondContact O-CB 3.21Å; I161-Q165 PolarHBondContact O-N 2.7Å; I161-L174 HydrophobicContact CG2-CD2 4.07Å; I161-I176 HydrophobicContact CD1-CD1 3.7Å; I161-I176 HydrophobicContact CG1-CD1 3.72Å; I161-I176 HydrophobicContact CG2-CD1 4.23Å; I161-I210 HydrophobicContact CD1-CD1 3.76Å; I161-I210 HydrophobicContact CD1-CG1 4.29Å; I161-I210 HydrophobicContact CD1-CG2 3.63Å; I161-L214 HydrophobicContact CG2-CD2 4.35Å; I161-I296 HydrophobicContact CG2-CD1 3.6Å
162S96.4Very high94.9Very high45 Ų4538.6 Ų38.632%0.31520%0.201SC..Hα-helixtrans-60.8-39.4178.4-69.90000112.4G158 A159 T160 S166 K217G158-S162 WeakPolarHBondContact O-CB 3.38Å; G158-S162 PolarHBondContact O-N 3.47Å; G158-S162 VanDerWaalsContact O-N 3.12Å; G158-S162 PolarHBondContact O-OG 2.79Å; G158-S162 VanDerWaalsContact O-OG 3.08Å; A159-S162 PolarHBondContact O-N 3.06Å; T160-S162 VanDerWaalsContact C-N 3.35Å; T160-S162 PolarHBondContact O-N 3.16Å; S162-S166 PolarHBondContact O-N 3.26Å; S162-S166 VanDerWaalsContact O-N 3.17Å; S162-K217 PolarHBondContact OG-NZ 3.26Å; S162-K217 VanDerWaalsContact OG-NZ 3.08Å
163F96.7Very high95.2Very high18 Ų1838.8 Ų38.88%0.07920%0.202CC..Hα-helixtrans-62.9-55.5175.6167.8-108.5000111.4F129 E130 W133 A159 T160 I161 Q165 S166 L167F129-F163 HydrophobicContact CD1-CE1 4.14Å; F129-F163 HydrophobicContact CE1-CE1 4.41Å; E130-F163 HydrophobicContact CB-CD1 3.69Å; E130-F163 HydrophobicContact CB-CD2 4.4Å; E130-F163 HydrophobicContact CB-CE1 3.51Å; E130-F163 HydrophobicContact CB-CE2 4.24Å; E130-F163 HydrophobicContact CB-CG 4.14Å; E130-F163 HydrophobicContact CB-CZ 3.81Å; E130-F163 VanDerWaalsContact CD-CG 3.43Å; E130-F163 HydrophobicContact CG-CB 4.46Å; E130-F163 HydrophobicContact CG-CD1 3.75Å; E130-F163 HydrophobicContact CG-CD2 3.63Å; E130-F163 HydrophobicContact CG-CE1 3.85Å; E130-F163 HydrophobicContact CG-CE2 3.72Å; E130-F163 HydrophobicContact CG-CG 3.65Å; E130-F163 HydrophobicContact CG-CZ 3.84Å; W133-F163 HydrophobicContact CB-CE2 4.48Å; W133-F163 HydrophobicContact CB-CZ 3.87Å; W133-F163 AromaticContact CD1-CE2 3.99Å; W133-F163 AromaticContact CD1-CZ 4Å; W133-F163 HydrophobicContact CG-CE2 4.34Å; W133-F163 AromaticContact CG-CZ 3.9Å; W133-F163 HydrophobicContact CG-CZ 3.9Å; A159-F163 PolarHBondContact O-N 3.29Å; T160-F163 PolarHBondContact O-N 2.75Å; I161-F163 VanDerWaalsContact C-N 3.31Å; I161-F163 PolarHBondContact O-N 3.1Å; F163-Q165 VanDerWaalsContact C-N 3.34Å; F163-Q165 PolarHBondContact O-N 3.48Å; F163-S166 WeakPolarHBondContact O-CB 3.41Å; F163-S166 PolarHBondContact O-N 2.88Å; F163-S166 PolarHBondContact O-OG 3.03Å; F163-L167 HydrophobicContact CE1-CD1 3.89Å; F163-L167 HydrophobicContact CE2-CD1 4.43Å; F163-L167 HydrophobicContact CE2-CD2 3.95Å; F163-L167 HydrophobicContact CE2-CG 4.41Å; F163-L167 HydrophobicContact CZ-CD1 3.74Å; F163-L167 HydrophobicContact CZ-CD2 4.06Å; F163-L167 HydrophobicContact CZ-CG 4.2Å; F163-L167 PolarHBondContact O-N 3.49Å
164F97.6Very high95.6Very high0 Ų034.8 Ų34.80%019%0.186CC..Hα-helixtrans-66.6-34.7-177.6-79.1-83.6000112.6I63 V65 A126 F129 I145 M147 T160 I161 S166 L167 L174I63-F164 HydrophobicContact CG2-CE1 4.23Å; V65-F164 HydrophobicContact CB-CZ 4.43Å; V65-F164 HydrophobicContact CG1-CE1 4.45Å; V65-F164 HydrophobicContact CG1-CE2 4.24Å; V65-F164 HydrophobicContact CG1-CZ 3.84Å; V65-F164 HydrophobicContact CG2-CD1 3.89Å; V65-F164 HydrophobicContact CG2-CE1 3.41Å; V65-F164 VanDerWaalsContact CG2-CE1 3.41Å; V65-F164 HydrophobicContact CG2-CE2 4.3Å; V65-F164 HydrophobicContact CG2-CZ 3.64Å; A126-F164 HydrophobicContact CB-CE2 4.13Å; A126-F164 HydrophobicContact CB-CZ 4.44Å; F129-F164 AromaticContact CD1-CE1 3.81Å; F129-F164 HydrophobicContact CD1-CE1 3.81Å; F129-F164 AromaticContact CD1-CZ 3.76Å; F129-F164 HydrophobicContact CD1-CZ 3.76Å; F129-F164 AromaticContact CE1-CE1 3.81Å; F129-F164 HydrophobicContact CE1-CE1 3.81Å; F129-F164 HydrophobicContact CE1-CZ 4.25Å; I145-F164 HydrophobicContact CD1-CB 4.23Å; I145-F164 HydrophobicContact CD1-CD1 4.3Å; I145-F164 WeakPolarHBondContact CD1-O 3.31Å; I145-F164 HydrophobicContact CG2-CB 4.35Å; I145-F164 HydrophobicContact CG2-CD1 3.98Å; I145-F164 HydrophobicContact CG2-CG 4.46Å; M147-F164 HydrophobicContact CE-CB 3.35Å; M147-F164 HydrophobicContact CE-CD1 4.06Å; M147-F164 HydrophobicContact CE-CD2 3.05Å; M147-F164 HydrophobicContact CE-CE2 3.8Å; M147-F164 HydrophobicContact CE-CG 3.2Å; T160-F164 HydrophobicContact CG2-CD2 3.84Å; T160-F164 HydrophobicContact CG2-CE2 3.89Å; T160-F164 WeakPolarHBondContact O-CD2 3.19Å; T160-F164 PolarHBondContact O-N 2.94Å; I161-F164 PolarHBondContact O-N 2.85Å; F164-S166 PolarHBondContact O-N 3.43Å; F164-L167 HydrophobicContact CD1-CD1 4.02Å; F164-L167 HydrophobicContact CE1-CD1 4.42Å; F164-L167 WeakPolarHBondContact O-CB 3.39Å; F164-L167 PolarHBondContact O-N 3.46Å; F164-L174 HydrophobicContact CB-CD2 4.47Å
165Q96.8Very high95.9Very high14 Ų1434.5 Ų34.57%0.06518%0.184CC..Hα-helixtrans-58.6-37.3171.7-172-172.117.100111.6I161 F163 L167 L168 L174 I296 D297 P299I161-Q165 WeakPolarHBondContact O-CB 3.21Å; I161-Q165 PolarHBondContact O-N 2.7Å; F163-Q165 VanDerWaalsContact C-N 3.34Å; F163-Q165 PolarHBondContact O-N 3.48Å; Q165-L167 PolarHBondContact O-N 3.28Å; Q165-L168 HydrophobicContact CG-CD1 4.14Å; Q165-L168 WeakPolarHBondContact O-CB 3.43Å; Q165-L168 WeakPolarHBondContact O-CG 3.34Å; Q165-L168 PolarHBondContact O-N 2.97Å; Q165-L168 VanDerWaalsContact O-N 3.14Å; Q165-L174 HydrophobicContact CB-CD2 4.2Å; Q165-I296 HydrophobicContact CG-CG2 3.97Å; Q165-D297 PolarHBondContact NE2-O 3.3Å; Q165-P299 HydrophobicContact CG-CG 4.24Å
166S95.1Very high96.3Very high66 Ų6626.4 Ų26.446%0.46215%0.149SC..Hα-helixtrans-66.8-18.9177.584.20000113.8K141 S162 F163 F164 L168K141-S166 PolarHBondContact NZ-O 3.36Å; S162-S166 PolarHBondContact O-N 3.26Å; S162-S166 VanDerWaalsContact O-N 3.17Å; F163-S166 WeakPolarHBondContact O-CB 3.41Å; F163-S166 PolarHBondContact O-N 2.88Å; F163-S166 PolarHBondContact O-OG 3.03Å; F164-S166 PolarHBondContact O-N 3.43Å; S166-L168 VanDerWaalsContact C-N 3.32Å
167L96.3Very high96.6Very high3 Ų322 Ų222%0.01613%0.126CC..THydrogen-bonded Turntrans-81.6-13176.8-52.6-170.6000112.6I63 F129 W133 K141 A142 I145 F163 F164 Q165I63-L167 HydrophobicContact CD1-CD1 4.24Å; F129-L167 HydrophobicContact CE1-CD1 4.18Å; W133-L167 HydrophobicContact CD2-CD1 4.3Å; W133-L167 HydrophobicContact CD2-CD2 4.29Å; W133-L167 HydrophobicContact CG-CD2 4.47Å; W133-L167 HydrophobicContact CZ2-CD1 4.37Å; W133-L167 HydrophobicContact CZ2-CD2 3.84Å; W133-L167 VanDerWaalsContact NE1-CD2 3.34Å; K141-L167 CarbonylContact C-O 3.52Å; K141-L167 VanDerWaalsContact CA-O 3.31Å; K141-L167 WeakPolarHBondContact CA-O 3.21Å; K141-L167 VanDerWaalsContact CD-O 3.23Å; K141-L167 WeakPolarHBondContact CD-O 3.47Å; A142-L167 PolarHBondContact N-O 2.89Å; I145-L167 HydrophobicContact CD1-CB 4.03Å; F163-L167 HydrophobicContact CE1-CD1 3.89Å; F163-L167 HydrophobicContact CE2-CD1 4.43Å; F163-L167 HydrophobicContact CE2-CD2 3.95Å; F163-L167 HydrophobicContact CE2-CG 4.41Å; F163-L167 HydrophobicContact CZ-CD1 3.74Å; F163-L167 HydrophobicContact CZ-CD2 4.06Å; F163-L167 HydrophobicContact CZ-CG 4.2Å; F163-L167 PolarHBondContact O-N 3.49Å; F164-L167 HydrophobicContact CD1-CD1 4.02Å; F164-L167 HydrophobicContact CE1-CD1 4.42Å; F164-L167 WeakPolarHBondContact O-CB 3.39Å; F164-L167 PolarHBondContact O-N 3.46Å; Q165-L167 PolarHBondContact O-N 3.28Å
168L96.7Very high96.7Very high0 Ų021.4 Ų21.40%012%0.122CC..EExtended strand (participates in β ladder)trans-62.7138.4-178.6-64.3175.8000111.5A142 I145 Q165 S166 K173 L174 K298A142-L168 CarbonylContact O-C 3.55Å; A142-L168 WeakPolarHBondContact O-CA 3.26Å; I145-L168 HydrophobicContact CB-CD2 4.4Å; I145-L168 HydrophobicContact CD1-CD2 3.66Å; I145-L168 HydrophobicContact CD1-CG 4.3Å; I145-L168 HydrophobicContact CG1-CD2 3.82Å; Q165-L168 HydrophobicContact CG-CD1 4.14Å; Q165-L168 WeakPolarHBondContact O-CB 3.43Å; Q165-L168 WeakPolarHBondContact O-CG 3.34Å; Q165-L168 PolarHBondContact O-N 2.97Å; Q165-L168 VanDerWaalsContact O-N 3.14Å; S166-L168 VanDerWaalsContact C-N 3.32Å; L168-K173 WeakPolarHBondContact CD2-O 3.2Å; L168-L174 HydrophobicContact CD1-CB 3.96Å; L168-L174 HydrophobicContact CD2-CB 4.38Å; L168-K298 HydrophobicContact CB-CB 4.01Å; L168-K298 HydrophobicContact CB-CG 4.42Å; L168-K298 WeakPolarHBondContact O-CD 3.22Å; L168-K298 WeakPolarHBondContact O-CE 3.48Å; L168-K298 PolarHBondContact O-NZ 2.91Å
169D95.1Very high96.8Very high43 Ų4321.5 Ų21.523%0.2312%0.122CC..EExtended strand (participates in β ladder)trans-80.8172.8167.1-149.9-11000111.1K57 K141 A142 N171 G172 K298K57-D169 IonicContact NZ-OD2 2.63Å; K57-D169 PolarHBondContact NZ-OD2 2.86Å; K141-D169 HydrophobicContact CB-CB 3.54Å; K141-D169 HydrophobicContact CG-CB 4.48Å; A142-D169 PolarHBondContact O-N 2.8Å; D169-N171 PolarHBondContact O-N 2.82Å; D169-G172 WeakPolarHBondContact O-CA 3.15Å; D169-G172 PolarHBondContact O-N 3.41Å; D169-K298 VanDerWaalsContact C-CD 3.46Å; D169-K298 WeakPolarHBondContact O-CD 3.3Å
170K92.9Very high96.9Very high123 Ų12320.1 Ų20.154%0.53511%0.11SC..EExtended strand (participates in β ladder)trans-50.3129.4171.5-173.4-171.5172.4-145.40109.6D55 G172D55-K170 IonicContact OD2-NZ 2.79Å; D55-K170 PolarHBondContact OD2-NZ 3.05Å; K170-G172 PolarHBondContact O-N 3.48Å; K170-G172 VanDerWaalsContact O-N 3.15Å
171N93.6Very high96.7Very high62 Ų6220.4 Ų20.433%0.33211%0.113SC..EExtended strand (participates in β ladder)trans62.46-174.2-51.2-25.9000115.7S52 D169S52-N171 VanDerWaalsContact O-CB 3.29Å; S52-N171 WeakPolarHBondContact O-CB 3.25Å; D169-N171 PolarHBondContact O-N 2.82Å
172G96.8Very high96.6Very high0 Ų026 Ų260%014%0.14CC..EExtended strand (participates in β ladder)trans-64.8150.5176.200000111.9D143 D169 K170D143-G172 WeakPolarHBondContact O-CA 3.43Å; D169-G172 WeakPolarHBondContact O-CA 3.15Å; D169-G172 PolarHBondContact O-N 3.41Å; K170-G172 PolarHBondContact O-N 3.48Å; K170-G172 VanDerWaalsContact O-N 3.15Å
173K97.8Very high96.6Very high23 Ų2323.9 Ų23.910%0.113%0.125CC..EExtended strand (participates in β ladder)trans-120.3137.6-179.1-53.2-61.8-179-164.50111.2I49 S52 I53 D143 F144 I145 L168 V295 D297I49-K173 HydrophobicContact CG2-CB 4.46Å; I49-K173 HydrophobicContact CG2-CG 4.05Å; S52-K173 WeakPolarHBondContact OG-CE 3.33Å; I53-K173 HydrophobicContact CD1-CB 3.9Å; I53-K173 HydrophobicContact CD1-CG 3.59Å; I53-K173 HydrophobicContact CG1-CB 4.4Å; I53-K173 HydrophobicContact CG1-CG 3.62Å; D143-K173 PolarHBondContact O-N 3.4Å; D143-K173 VanDerWaalsContact O-N 3.13Å; F144-K173 WeakPolarHBondContact CA-O 3.37Å; F144-K173 HydrophobicContact CD2-CB 4.16Å; I145-K173 PolarHBondContact N-O 3.01Å; L168-K173 WeakPolarHBondContact CD2-O 3.2Å; K173-V295 HydrophobicContact CB-CG1 4.27Å; K173-V295 HydrophobicContact CD-CG1 4.25Å; K173-D297 WeakPolarHBondContact CD-OD1 3.49Å; K173-D297 WeakPolarHBondContact CE-OD1 3.39Å; K173-D297 IonicContact NZ-OD1 3.13Å; K173-D297 PolarHBondContact NZ-OD1 3.26Å; K173-D297 IonicContact NZ-OD2 3.63Å; K173-D297 PolarHBondContact NZ-OD2 3.38Å; K173-D297 VanDerWaalsContact NZ-OD2 3.13Å
174L98.6Very high96.6Very high0 Ų023 Ų230%012%0.121CC..EExtended strand (participates in β ladder)trans-104.7115.9164.8169.361.2000108.7I145 M147 I161 F164 Q165 L168 I176 V295 I296I145-L174 HydrophobicContact CB-CD1 3.8Å; I145-L174 HydrophobicContact CG2-CD1 3.6Å; I145-L174 CarbonylContact O-C 3.5Å; I145-L174 WeakPolarHBondContact O-CA 3.26Å; M147-L174 HydrophobicContact CE-CD1 4.13Å; M147-L174 HydrophobicContact CG-CD1 4.26Å; M147-L174 HydrophobicContact SD-CD1 4.17Å; I161-L174 HydrophobicContact CG2-CD2 4.07Å; F164-L174 HydrophobicContact CB-CD2 4.47Å; Q165-L174 HydrophobicContact CB-CD2 4.2Å; L168-L174 HydrophobicContact CD1-CB 3.96Å; L168-L174 HydrophobicContact CD2-CB 4.38Å; L174-I176 HydrophobicContact CD1-CG1 4.37Å; L174-I176 HydrophobicContact CD2-CD1 4.36Å; L174-I176 HydrophobicContact CG-CD1 4.38Å; L174-I176 HydrophobicContact CG-CG1 4.23Å; L174-V295 CarbonylContact O-C 3.58Å; L174-V295 WeakPolarHBondContact O-CA 3.37Å; L174-I296 HydrophobicContact CB-CB 4.27Å; L174-I296 HydrophobicContact CD2-CD1 4.17Å; L174-I296 PolarHBondContact N-O 3.03Å; L174-I296 PolarHBondContact O-N 3.31Å
175L98.8Very high96.6Very high1 Ų123.4 Ų23.41%0.00512%0.122CC..EExtended strand (participates in β ladder)trans-99.4129.2176.4-17776.1000110F41 L46 M76 F144 I145 H146 M147 I148 V293 V295F41-L175 HydrophobicContact CE1-CD1 4.01Å; F41-L175 HydrophobicContact CE1-CD2 4.34Å; F41-L175 HydrophobicContact CZ-CD1 4.06Å; L46-L175 HydrophobicContact CD1-CD2 4.24Å; M76-L175 HydrophobicContact SD-CD2 3.62Å; F144-L175 HydrophobicContact CE2-CB 3.81Å; F144-L175 HydrophobicContact CE2-CD2 4.46Å; F144-L175 HydrophobicContact CZ-CB 3.97Å; F144-L175 HydrophobicContact CZ-CD2 3.89Å; I145-L175 PolarHBondContact O-N 2.8Å; H146-L175 CarbonylContact C-O 3.55Å; H146-L175 VanDerWaalsContact CA-O 3.26Å; H146-L175 WeakPolarHBondContact CA-O 3.33Å; H146-L175 HydrophobicContact CB-CB 4.16Å; H146-L175 HydrophobicContact CB-CD2 4.41Å; M147-L175 PolarHBondContact N-O 3.05Å; I148-L175 HydrophobicContact CD1-CD2 4.16Å; L175-V293 HydrophobicContact CD1-CG1 3.34Å; L175-V293 HydrophobicContact CG-CG1 4.43Å; L175-V295 HydrophobicContact CD1-CG2 3.74Å
176I98.8Very high96.4Very high0 Ų023 Ų230%012%0.122CC..EExtended strand (participates in β ladder)trans-124.2132.1175.7-60.7164.3000108M147 L151 I161 L174 L178 V293 I294 I296M147-I176 HydrophobicContact CB-CG1 4.3Å; M147-I176 WeakPolarHBondContact O-CA 3.24Å; M147-I176 HydrophobicContact SD-CG1 4.36Å; L151-I176 HydrophobicContact CD1-CD1 4.45Å; L151-I176 HydrophobicContact CD1-CG2 3.66Å; I161-I176 HydrophobicContact CD1-CD1 3.7Å; I161-I176 HydrophobicContact CG1-CD1 3.72Å; I161-I176 HydrophobicContact CG2-CD1 4.23Å; L174-I176 HydrophobicContact CD1-CG1 4.37Å; L174-I176 HydrophobicContact CD2-CD1 4.36Å; L174-I176 HydrophobicContact CG-CD1 4.38Å; L174-I176 HydrophobicContact CG-CG1 4.23Å; I176-L178 HydrophobicContact CG2-CD1 4.27Å; I176-L178 HydrophobicContact CG2-CG 4Å; I176-V293 CarbonylContact O-C 3.58Å; I176-V293 WeakPolarHBondContact O-CA 3.46Å; I176-I294 HydrophobicContact CB-CB 4.34Å; I176-I294 PolarHBondContact N-O 2.89Å; I176-I294 PolarHBondContact O-N 3.09Å; I176-I296 HydrophobicContact CD1-CD1 3.76Å
177I98.6Very high96.4Very high0 Ų022 Ų220%011%0.109CC..EExtended strand (participates in β ladder)trans-121.8124169.5-56.2-169.5000108.4M38 M147 I148 Q149 L291 G292 V293M38-I177 HydrophobicContact CE-CG2 4.13Å; M38-I177 HydrophobicContact CG-CD1 4.43Å; M147-I177 PolarHBondContact O-N 3.44Å; I148-I177 HydrophobicContact CD1-CB 4.04Å; I148-I177 HydrophobicContact CD1-CD1 3.78Å; I148-I177 HydrophobicContact CD1-CG1 3.62Å; I148-I177 HydrophobicContact CG2-CB 4.22Å; Q149-I177 PolarHBondContact N-O 3.29Å; I177-L291 HydrophobicContact CG2-CB 4.34Å; I177-L291 HydrophobicContact CG2-CD1 4.08Å; I177-G292 WeakPolarHBondContact CA-O 3.45Å; I177-V293 HydrophobicContact CD1-CG2 3.95Å; I177-V293 HydrophobicContact CG1-CG2 3.9Å
178L98.3Very high96.4Very high0 Ų021.8 Ų21.80%011%0.108CC..EExtended strand (participates in β ladder)trans-137.9171.4172.9-62.3175.6000110Q149 L151 Y152 I176 V205 T207 I210 L291 G292Q149-L178 VanDerWaalsContact OE1-CA 3.31Å; L151-L178 HydrophobicContact CB-CD1 4.18Å; L151-L178 HydrophobicContact CB-CD2 3.94Å; L151-L178 HydrophobicContact CD1-CD1 3.97Å; L151-L178 HydrophobicContact CD1-CG 4.48Å; Y152-L178 HydrophobicContact CD2-CD2 4.47Å; Y152-L178 HydrophobicContact CE1-CD2 3.9Å; Y152-L178 HydrophobicContact CE2-CD2 3.8Å; Y152-L178 VanDerWaalsContact CZ-CD2 3.46Å; Y152-L178 WeakPolarHBondContact OH-CA 3.4Å; Y152-L178 WeakPolarHBondContact OH-CB 3.41Å; Y152-L178 WeakPolarHBondContact OH-CD2 3.5Å; I176-L178 HydrophobicContact CG2-CD1 4.27Å; I176-L178 HydrophobicContact CG2-CG 4Å; L178-V205 HydrophobicContact CD1-CG1 4.29Å; L178-T207 HydrophobicContact CB-CG2 3.8Å; L178-I210 HydrophobicContact CD1-CG1 3.8Å; L178-L291 CarbonylContact O-C 3.59Å; L178-L291 WeakPolarHBondContact O-CA 3.48Å; L178-G292 PolarHBondContact N-O 3.47Å; L178-G292 VanDerWaalsContact N-O 3.14Å; L178-G292 PolarHBondContact O-N 2.77Å
179V97.6Very high96.2Very high5 Ų522.6 Ų22.63%0.0311%0.111CC..EExtended strand (participates in β ladder)trans-60.1148.1167.5-59.70000111Y152 W185 W189 T206 T207 L291Y152-V179 HydrophobicContact CE1-CG2 4.32Å; Y152-V179 PolarHBondContact OH-N 3.39Å; V179-W185 HydrophobicContact CB-CB 4.21Å; V179-W185 HydrophobicContact CB-CG 4.15Å; V179-W185 HydrophobicContact CG1-CB 4.45Å; V179-W185 VanDerWaalsContact CG1-CD1 3.41Å; V179-W185 HydrophobicContact CG1-CD2 4.47Å; V179-W185 HydrophobicContact CG1-CG 3.9Å; V179-W185 HydrophobicContact CG2-CB 3.91Å; V179-W185 HydrophobicContact CG2-CG 4.25Å; V179-W189 HydrophobicContact CG2-CE3 4.46Å; V179-W189 HydrophobicContact CG2-CH2 3.41Å; V179-W189 VanDerWaalsContact CG2-CH2 3.41Å; V179-W189 HydrophobicContact CG2-CZ3 3.37Å; V179-T206 HydrophobicContact CG2-CG2 4.21Å; V179-T207 PolarHBondContact O-N 2.9Å; V179-T207 PolarHBondContact O-OG1 3.05Å; V179-L291 HydrophobicContact CB-CD2 4.42Å; V179-L291 HydrophobicContact CG1-CD2 3.89Å
180S97.6Very high96.1Very high14 Ų1428.6 Ų28.610%0.09813%0.131CC..  trans-70.4146.1177.6-179.20000111.4E182 S183 T207 N290S180-E182 PolarHBondContact O-N 3.47Å; S180-E182 PolarHBondContact OG-N 2.89Å; S180-S183 VanDerWaalsContact O-CB 3.3Å; S180-S183 WeakPolarHBondContact O-CB 3.35Å; S180-S183 PolarHBondContact O-N 2.87Å; S180-S183 VanDerWaalsContact O-N 3.07Å; S180-S183 PolarHBondContact O-OG 3.04Å; S180-T207 WeakPolarHBondContact CA-OG1 3.47Å; S180-N290 VanDerWaalsContact CB-O 3.3Å; S180-N290 WeakPolarHBondContact CB-O 3.34Å; S180-N290 PolarHBondContact N-O 3.14Å
181G93.9Very high96.2Very high10 Ų1027.7 Ų27.710%0.10313%0.127CC..THydrogen-bonded Turntrans-62.2-21.4170.100000113.5
182E93.7Very high96.2Very high120 Ų12025.7 Ų25.756%0.56112%0.115SC*.THydrogen-bonded Turntrans-99.78.7176-61.9-51.8138.200113.4S180 K187 N288S180-E182 PolarHBondContact O-N 3.47Å; S180-E182 PolarHBondContact OG-N 2.89Å; E182-K187 IonicContact OE2-NZ 2.72Å; E182-K187 PolarHBondContact OE2-NZ 2.87Å; E182-N288 PolarHBondContact O-ND2 3.36Å; E182-N288 VanDerWaalsContact O-ND2 3.12Å
183S97.2Very high95.8Very high0 Ų031 Ų310%013%0.134CC..SBendtrans-74.9167.9170.769.10000111.7S180 W185 G186 K187 N288 N290S180-S183 VanDerWaalsContact O-CB 3.3Å; S180-S183 WeakPolarHBondContact O-CB 3.35Å; S180-S183 PolarHBondContact O-N 2.87Å; S180-S183 VanDerWaalsContact O-N 3.07Å; S180-S183 PolarHBondContact O-OG 3.04Å; S183-W185 PolarHBondContact O-N 2.82Å; S183-W185 WeakPolarHBondContact OG-CB 3.46Å; S183-W185 PolarHBondContact OG-N 3.32Å; S183-G186 PolarHBondContact O-N 3.44Å; S183-G186 VanDerWaalsContact O-N 3.15Å; S183-G186 PolarHBondContact OG-N 3.03Å; S183-K187 PolarHBondContact O-N 3.07Å; S183-N288 WeakPolarHBondContact CB-O 3.44Å; S183-N290 WeakPolarHBondContact CB-O 2.95Å
184G97.4Very high95.3Very high0 Ų038.5 Ų38.50%017%0.17CC..Hα-helixtrans-58.9-30170.200000112.1G186 K187 L188 F287 N288G184-G186 PolarHBondContact O-N 3.46Å; G184-K187 PolarHBondContact O-N 3.19Å; G184-L188 WeakPolarHBondContact O-CB 3.37Å; G184-L188 PolarHBondContact O-N 2.68Å; G184-F287 VanDerWaalsContact CA-CZ 3.49Å; G184-N288 PolarHBondContact N-O 2.89Å
185W96.4Very high95Very high8 Ų842.9 Ų42.93%0.0319%0.19CC..Hα-helixtrans-60.1-46.2174.2-60104.6000111.8V179 S183 K187 L188 W189 M230 F249 L250 F287 N289V179-W185 HydrophobicContact CB-CB 4.21Å; V179-W185 HydrophobicContact CB-CG 4.15Å; V179-W185 HydrophobicContact CG1-CB 4.45Å; V179-W185 VanDerWaalsContact CG1-CD1 3.41Å; V179-W185 HydrophobicContact CG1-CD2 4.47Å; V179-W185 HydrophobicContact CG1-CG 3.9Å; V179-W185 HydrophobicContact CG2-CB 3.91Å; V179-W185 HydrophobicContact CG2-CG 4.25Å; S183-W185 PolarHBondContact O-N 2.82Å; S183-W185 WeakPolarHBondContact OG-CB 3.46Å; S183-W185 PolarHBondContact OG-N 3.32Å; W185-K187 PolarHBondContact O-N 3.24Å; W185-L188 PolarHBondContact O-N 3.01Å; W185-W189 HydrophobicContact CB-CD2 4.32Å; W185-W189 HydrophobicContact CB-CE3 4.34Å; W185-W189 HydrophobicContact CB-CH2 4.16Å; W185-W189 HydrophobicContact CB-CZ2 4.12Å; W185-W189 HydrophobicContact CB-CZ3 4.27Å; W185-W189 HydrophobicContact CD2-CZ2 4.24Å; W185-W189 AromaticContact CE3-CE2 3.91Å; W185-W189 AromaticContact CE3-CZ2 3.71Å; W185-W189 HydrophobicContact CE3-CZ2 3.71Å; W185-W189 AromaticContact CE3-NE1 3.9Å; W185-W189 HydrophobicContact CG-CZ2 4.45Å; W185-W189 HydrophobicContact CZ3-CZ2 4.41Å; W185-W189 WeakPolarHBondContact O-CB 3.4Å; W185-W189 VanDerWaalsContact O-CG 3.24Å; W185-W189 PolarHBondContact O-N 2.96Å; W185-M230 HydrophobicContact CZ2-SD 4.47Å; W185-F249 AromaticContact CH2-CD1 3.82Å; W185-F249 HydrophobicContact CH2-CD1 3.82Å; W185-F249 AromaticContact CH2-CE1 3.81Å; W185-F249 HydrophobicContact CH2-CE1 3.81Å; W185-F249 HydrophobicContact CZ2-CD1 4.39Å; W185-F249 HydrophobicContact CZ2-CE1 4.09Å; W185-L250 HydrophobicContact CH2-CD2 3.72Å; W185-L250 HydrophobicContact CH2-CG 4.39Å; W185-L250 HydrophobicContact CZ2-CD2 4.09Å; W185-L250 HydrophobicContact CZ3-CD2 4Å; W185-F287 AromaticContact CD1-CE1 3.76Å; W185-F287 AromaticContact CD2-CE1 3.9Å; W185-F287 HydrophobicContact CD2-CE1 3.9Å; W185-F287 HydrophobicContact CD2-CZ 4.19Å; W185-F287 AromaticContact CE2-CE1 3.67Å; W185-F287 AromaticContact CG-CE1 3.97Å; W185-F287 HydrophobicContact CG-CE1 3.97Å; W185-F287 HydrophobicContact CG-CZ 4.2Å; W185-F287 HydrophobicContact CZ2-CE1 4.25Å; W185-F287 VanDerWaalsContact N-CZ 3.33Å; W185-F287 AromaticContact NE1-CE1 3.59Å; W185-N289 PolarHBondContact NE1-OD1 3.49Å
186G93.9Very high94.3Very high6 Ų643.5 Ų43.56%0.06219%0.193CC..Hα-helixtrans-59.2-35.7177.900000112.6S183 G184 R190S183-G186 PolarHBondContact O-N 3.44Å; S183-G186 VanDerWaalsContact O-N 3.15Å; S183-G186 PolarHBondContact OG-N 3.03Å; G184-G186 PolarHBondContact O-N 3.46Å; G186-R190 WeakPolarHBondContact O-CB 3.38Å; G186-R190 PolarHBondContact O-N 3.44Å; G186-R190 VanDerWaalsContact O-N 3.15Å
187K95.3Very high93.4Very high43 Ų4344.6 Ų44.619%0.18720%0.201CC..Hα-helixtrans-73.9-46.4175.8-50.3-55.4179.5-165.50111.5E182 S183 G184 W185 R190 K191 D276E182-K187 IonicContact OE2-NZ 2.72Å; E182-K187 PolarHBondContact OE2-NZ 2.87Å; S183-K187 PolarHBondContact O-N 3.07Å; G184-K187 PolarHBondContact O-N 3.19Å; W185-K187 PolarHBondContact O-N 3.24Å; K187-R190 PolarHBondContact O-N 3.21Å; K187-K191 PolarHBondContact O-N 3.01Å; K187-K191 VanDerWaalsContact O-N 3.07Å; K187-D276 HydrophobicContact CG-CB 4.41Å
188L95.2Very high92.1Very high0 Ų046.5 Ų46.50%021%0.211CC..Hα-helixtrans-56-54.6177.617962.7000111.4G184 W185 R190 K191 Y192 L196 L250 V268 L271 L272G184-L188 WeakPolarHBondContact O-CB 3.37Å; G184-L188 PolarHBondContact O-N 2.68Å; W185-L188 PolarHBondContact O-N 3.01Å; L188-R190 PolarHBondContact O-N 3.27Å; L188-K191 PolarHBondContact O-N 3.15Å; L188-Y192 HydrophobicContact CD1-CD2 3.97Å; L188-Y192 PolarHBondContact O-N 3.22Å; L188-L196 HydrophobicContact CD1-CD1 4.39Å; L188-L250 HydrophobicContact CD2-CB 4.4Å; L188-L250 WeakPolarHBondContact CD2-O 3.22Å; L188-V268 HydrophobicContact CD1-CG1 4.36Å; L188-L271 HydrophobicContact CB-CD2 4.3Å; L188-L271 HydrophobicContact CD1-CD2 4.02Å; L188-L272 HydrophobicContact CD2-CD2 4.26Å
189W93.7Very high90.7Very high16 Ų1653.4 Ų53.46%0.06125%0.253CS..Hα-helixtrans-64.7-41.5-179.8-63.1-19.6000111.9Y152 V179 W185 K191 R193 C204 V205 T206Y152-W189 HydrophobicContact CD1-CH2 4.01Å; Y152-W189 AromaticContact CE1-CH2 3.6Å; Y152-W189 HydrophobicContact CE1-CH2 3.6Å; Y152-W189 HydrophobicContact CE1-CZ3 4.13Å; V179-W189 HydrophobicContact CG2-CE3 4.46Å; V179-W189 HydrophobicContact CG2-CH2 3.41Å; V179-W189 VanDerWaalsContact CG2-CH2 3.41Å; V179-W189 HydrophobicContact CG2-CZ3 3.37Å; W185-W189 HydrophobicContact CB-CD2 4.32Å; W185-W189 HydrophobicContact CB-CE3 4.34Å; W185-W189 HydrophobicContact CB-CH2 4.16Å; W185-W189 HydrophobicContact CB-CZ2 4.12Å; W185-W189 HydrophobicContact CB-CZ3 4.27Å; W185-W189 HydrophobicContact CD2-CZ2 4.24Å; W185-W189 AromaticContact CE3-CE2 3.91Å; W185-W189 AromaticContact CE3-CZ2 3.71Å; W185-W189 HydrophobicContact CE3-CZ2 3.71Å; W185-W189 AromaticContact CE3-NE1 3.9Å; W185-W189 HydrophobicContact CG-CZ2 4.45Å; W185-W189 HydrophobicContact CZ3-CZ2 4.41Å; W185-W189 WeakPolarHBondContact O-CB 3.4Å; W185-W189 VanDerWaalsContact O-CG 3.24Å; W185-W189 PolarHBondContact O-N 2.96Å; W189-K191 VanDerWaalsContact C-N 3.26Å; W189-K191 PolarHBondContact O-N 2.63Å; W189-R193 WeakPolarHBondContact O-CA 3.45Å; W189-R193 WeakPolarHBondContact O-CB 3.5Å; W189-R193 PolarHBondContact O-N 3.16Å; W189-C204 HydrophobicContact CB-CB 3.9Å; W189-C204 HydrophobicContact CD2-CB 4.02Å; W189-C204 HydrophobicContact CE3-CB 4.26Å; W189-C204 HydrophobicContact CG-CB 3.87Å; W189-V205 WeakPolarHBondContact CZ3-O 3.46Å; W189-T206 HydrophobicContact CE3-CG2 3.81Å; W189-T206 HydrophobicContact CZ3-CG2 3.79Å
190R92.2Very high89.3Confident170 Ų17060 Ų6064%0.64228%0.284SS*.Hα-helixtrans-60.8-36.9177.4-171.9-176-54.7162.33.2112.6G186 K187 L188G186-R190 WeakPolarHBondContact O-CB 3.38Å; G186-R190 PolarHBondContact O-N 3.44Å; G186-R190 VanDerWaalsContact O-N 3.15Å; K187-R190 PolarHBondContact O-N 3.21Å; L188-R190 PolarHBondContact O-N 3.27Å
191K94.8Very high88Confident103 Ų10361.3 Ų61.345%0.44829%0.289SS..Hα-helixtrans-79.6-42.3-178.2-169.3173.5179.8-1640112.6K187 L188 W189 L271K187-K191 PolarHBondContact O-N 3.01Å; K187-K191 VanDerWaalsContact O-N 3.07Å; L188-K191 PolarHBondContact O-N 3.15Å; W189-K191 VanDerWaalsContact C-N 3.26Å; W189-K191 PolarHBondContact O-N 2.63Å; K191-L271 HydrophobicContact CB-CD2 4Å; K191-L271 HydrophobicContact CD-CD1 3.95Å; K191-L271 HydrophobicContact CD-CD2 3.9Å; K191-L271 HydrophobicContact CD-CG 4.32Å
192Y93.4Very high87.1Confident20 Ų2062.4 Ų62.48%0.07830%0.295CS..Hα-helixtrans-116.918.6-169.1-65.4-71.6000114.4L188 H194 E195 L196 L264 G267 V268 L271L188-Y192 HydrophobicContact CD1-CD2 3.97Å; L188-Y192 PolarHBondContact O-N 3.22Å; Y192-H194 PolarHBondContact O-N 2.7Å; Y192-E195 WeakPolarHBondContact CA-OE2 3.23Å; Y192-E195 PolarHBondContact O-N 2.78Å; Y192-L196 WeakPolarHBondContact O-CB 3.42Å; Y192-L196 WeakPolarHBondContact O-CG 3.28Å; Y192-L196 PolarHBondContact O-N 3.31Å; Y192-L264 HydrophobicContact CD1-CD1 3.57Å; Y192-L264 HydrophobicContact CE1-CD1 3.88Å; Y192-L264 HydrophobicContact CG-CD1 4.4Å; Y192-G267 WeakPolarHBondContact OH-CA 3.22Å; Y192-G267 PolarHBondContact OH-O 3.29Å; Y192-V268 HydrophobicContact CD1-CG2 4.37Å; Y192-V268 HydrophobicContact CD2-CG2 3.94Å; Y192-V268 HydrophobicContact CE1-CG2 4.45Å; Y192-V268 HydrophobicContact CE2-CG2 4Å; Y192-V268 HydrophobicContact CG-CG2 4.14Å; Y192-L271 HydrophobicContact CD2-CD2 3.9Å; Y192-L271 HydrophobicContact CE2-CB 4.03Å; Y192-L271 HydrophobicContact CE2-CD2 3.72Å; Y192-L271 HydrophobicContact CE2-CG 4.48Å
193R89.1Confident86.3Confident111 Ų11157 Ų5742%0.41927%0.27SS..Hα-helixtrans-56.7-38.4-177.6170.5178.4-70.5-170.82.1113W189 E195 C197 C204W189-R193 WeakPolarHBondContact O-CA 3.45Å; W189-R193 WeakPolarHBondContact O-CB 3.5Å; W189-R193 PolarHBondContact O-N 3.16Å; R193-E195 VanDerWaalsContact C-N 3.31Å; R193-C197 WeakPolarHBondContact CA-SG 3.2Å; R193-C197 HydrophobicContact CG-CB 4.09Å; R193-C197 VanDerWaalsContact O-CB 3.31Å; R193-C197 WeakPolarHBondContact O-CB 3.42Å; R193-C197 PolarHBondContact O-N 3.12Å; R193-C197 PolarHBondContact O-SG 3.08Å; R193-C204 PolarHBondContact NH2-O 3.49Å
194H87.9Confident85.8Confident181 Ų18157.5 Ų57.584%0.83827%0.274SS*.Hα-helixtrans-73.8-27.5-175.7-67.2-62.8000112.5Y192Y192-H194 PolarHBondContact O-N 2.7Å
195E90.3Very high85.6Confident92 Ų9258 Ų5843%0.4328%0.277SS..Hα-helixtrans-89.2-35.6-179.4-61.489.9154.600112.4Y192 R193 L264Y192-E195 WeakPolarHBondContact CA-OE2 3.23Å; Y192-E195 PolarHBondContact O-N 2.78Å; R193-E195 VanDerWaalsContact C-N 3.31Å; E195-L264 HydrophobicContact CB-CD1 3.87Å; E195-L264 HydrophobicContact CB-CD2 4.13Å; E195-L264 HydrophobicContact CG-CD1 4.18Å
196L86.1Confident85.6Confident14 Ų1458.1 Ų58.17%0.07328%0.278CS..Hα-helixtrans-102.5-42.6-172.1-59.4179.3000114.2L11 L188 Y192 T251 V253 F256 L264 V268L11-L196 HydrophobicContact CD1-CD2 4.32Å; L188-L196 HydrophobicContact CD1-CD1 4.39Å; Y192-L196 WeakPolarHBondContact O-CB 3.42Å; Y192-L196 WeakPolarHBondContact O-CG 3.28Å; Y192-L196 PolarHBondContact O-N 3.31Å; L196-T251 HydrophobicContact CD1-CG2 4.21Å; L196-T251 HydrophobicContact CD2-CG2 4.35Å; L196-V253 HydrophobicContact CD2-CG2 4.07Å; L196-F256 HydrophobicContact CD2-CD2 4.35Å; L196-F256 HydrophobicContact CD2-CE2 3.84Å; L196-L264 HydrophobicContact CD2-CD2 4.25Å; L196-V268 HydrophobicContact CD1-CG2 4.48Å
197C79.6Confident85.8Confident23 Ų2357.9 Ų57.916%0.15528%0.275CS..  trans-80.6133.1-166.4-450000111.4R193 Q203 C204R193-C197 WeakPolarHBondContact CA-SG 3.2Å; R193-C197 HydrophobicContact CG-CB 4.09Å; R193-C197 VanDerWaalsContact O-CB 3.31Å; R193-C197 WeakPolarHBondContact O-CB 3.42Å; R193-C197 PolarHBondContact O-N 3.12Å; R193-C197 PolarHBondContact O-SG 3.08Å; C197-Q203 HydrophobicContact CB-CB 4.36Å; C197-C204 HydrophobicContact CB-CB 4.25Å; C197-C204 WeakPolarHBondContact CB-SG 3.33Å; C197-C204 WeakPolarHBondContact SG-CB 3.32Å; C197-C204 CovalentContact SG-SG 2.04Å; C197-C204 PolarHBondContact SG-SG 2.88Å
198N70.4Confident85.9Confident41 Ų4157 Ų5722%0.21928%0.279CS..  trans-67.5128.1168.6-176.4-17.4000110.1E200 I201N198-E200 VanDerWaalsContact C-N 3.25Å; N198-E200 PolarHBondContact O-N 3.42Å; N198-E200 WeakPolarHBondContact OD1-CB 3.45Å; N198-E200 PolarHBondContact OD1-N 2.85Å; N198-I201 HydrophobicContact CB-CG1 4.12Å
199T68.9Low85.9Confident144 Ų14460.2 Ų60.288%0.88330%0.296SS*.THydrogen-bonded Turntrans-72.7-12.518054.30000114.6
200E67.9Low86.1Confident144 Ų14459.6 Ų59.667%0.67329%0.294SS*.THydrogen-bonded Turntrans-81.6-19.2-179.2-62-171.715700113.4N198N198-E200 VanDerWaalsContact C-N 3.25Å; N198-E200 PolarHBondContact O-N 3.42Å; N198-E200 WeakPolarHBondContact OD1-CB 3.45Å; N198-E200 PolarHBondContact OD1-N 2.85Å
201I70.1Confident86.4Confident42 Ų4253.4 Ų53.422%0.21527%0.271CS..SBendtrans-134.1159.1-178.555.7174.7000111.5N198 Q203N198-I201 HydrophobicContact CB-CG1 4.12Å; I201-Q203 HydrophobicContact CD1-CG 3.56Å; I201-Q203 HydrophobicContact CG1-CB 4.47Å; I201-Q203 HydrophobicContact CG1-CG 3.81Å; I201-Q203 PolarHBondContact O-N 3.41Å
202S75.3Confident86.5Confident32 Ų3252.2 Ų52.222%0.22428%0.276CS..  trans-84.649-179.6-66.80000113.1Y152 V154 K155 P157 C204 V205Y152-S202 WeakPolarHBondContact CA-O 3.37Å; Y152-S202 CarbonylContact O-C 3.6Å; Y152-S202 PolarHBondContact O-N 2.66Å; V154-S202 VanDerWaalsContact O-CB 3.28Å; V154-S202 WeakPolarHBondContact O-CB 3.44Å; V154-S202 PolarHBondContact O-N 2.57Å; V154-S202 PolarHBondContact O-OG 3.33Å; K155-S202 PolarHBondContact O-OG 2.89Å; P157-S202 WeakPolarHBondContact CD-OG 3.18Å; P157-S202 VanDerWaalsContact CG-CB 3.47Å; P157-S202 WeakPolarHBondContact CG-OG 3.44Å; S202-C204 PolarHBondContact O-N 3.17Å; S202-V205 WeakPolarHBondContact O-CG1 3.35Å; S202-V205 PolarHBondContact O-N 3.08Å
203Q78.2Confident86.6Confident6 Ų653.6 Ų53.63%0.02829%0.285CS..THydrogen-bonded Turntrans-50.9-23.7-175-100.7173.4-9.300114.4S13 Y152 C197 I201S13-Q203 PolarHBondContact OG-NE2 2.97Å; S13-Q203 VanDerWaalsContact OG-NE2 3.1Å; Y152-Q203 PolarHBondContact O-N 3.49Å; C197-Q203 HydrophobicContact CB-CB 4.36Å; I201-Q203 HydrophobicContact CD1-CG 3.56Å; I201-Q203 HydrophobicContact CG1-CB 4.47Å; I201-Q203 HydrophobicContact CG1-CG 3.81Å; I201-Q203 PolarHBondContact O-N 3.41Å
204C85.4Confident87Confident12 Ų1248.5 Ų48.58%0.08127%0.266CS..THydrogen-bonded Turntrans-120.445-166.3-63.90000111.5W189 R193 C197 S202W189-C204 HydrophobicContact CB-CB 3.9Å; W189-C204 HydrophobicContact CD2-CB 4.02Å; W189-C204 HydrophobicContact CE3-CB 4.26Å; W189-C204 HydrophobicContact CG-CB 3.87Å; R193-C204 PolarHBondContact NH2-O 3.49Å; C197-C204 HydrophobicContact CB-CB 4.25Å; C197-C204 WeakPolarHBondContact CB-SG 3.33Å; C197-C204 WeakPolarHBondContact SG-CB 3.32Å; C197-C204 CovalentContact SG-SG 2.04Å; C197-C204 PolarHBondContact SG-SG 2.88Å; S202-C204 PolarHBondContact O-N 3.17Å
205V92.6Very high87.4Confident11 Ų1144.3 Ų44.37%0.06725%0.25CC..  trans-104.1129.7-179.965.90000111.9L151 Y152 P157 L178 W189 S202 D209 I210L151-V205 HydrophobicContact CB-CG1 4.36Å; Y152-V205 HydrophobicContact CD1-CG1 3.75Å; Y152-V205 HydrophobicContact CE1-CG1 4.15Å; Y152-V205 WeakPolarHBondContact CE1-O 3.46Å; P157-V205 HydrophobicContact CG-CG1 4.45Å; P157-V205 HydrophobicContact CG-CG2 4.34Å; L178-V205 HydrophobicContact CD1-CG1 4.29Å; W189-V205 WeakPolarHBondContact CZ3-O 3.46Å; S202-V205 WeakPolarHBondContact O-CG1 3.35Å; S202-V205 PolarHBondContact O-N 3.08Å; V205-D209 HydrophobicContact CG2-CB 4.06Å; V205-I210 HydrophobicContact CG2-CD1 3.67Å; V205-I210 HydrophobicContact CG2-CG1 4.15Å
206T96.9Very high87.7Confident9 Ų944.4 Ų44.46%0.05526%0.26CS..  trans-111.8168178.269.30000111.2V179 W189 G208 D209 I210V179-T206 HydrophobicContact CG2-CG2 4.21Å; W189-T206 HydrophobicContact CE3-CG2 3.81Å; W189-T206 HydrophobicContact CZ3-CG2 3.79Å; T206-G208 PolarHBondContact O-N 3.27Å; T206-G208 PolarHBondContact OG1-N 3.14Å; T206-D209 WeakPolarHBondContact CB-OD2 3.3Å; T206-D209 PolarHBondContact N-OD2 3.32Å; T206-D209 WeakPolarHBondContact O-CB 3.41Å; T206-D209 PolarHBondContact O-N 3.49Å; T206-D209 VanDerWaalsContact O-N 3.12Å; T206-D209 PolarHBondContact OG1-N 3.48Å; T206-D209 PolarHBondContact OG1-OD2 3.09Å; T206-I210 PolarHBondContact O-N 2.96Å; T206-I210 VanDerWaalsContact O-N 3.16Å
207T97.9Very high88.1Confident1 Ų148.4 Ų48.41%0.00628%0.277CS..Hα-helixtrans-59-28.1168.252.50000112.9L178 V179 S180 D209 I210 K211 G292 I294L178-T207 HydrophobicContact CB-CG2 3.8Å; V179-T207 PolarHBondContact O-N 2.9Å; V179-T207 PolarHBondContact O-OG1 3.05Å; S180-T207 WeakPolarHBondContact CA-OG1 3.47Å; T207-D209 VanDerWaalsContact C-N 3.34Å; T207-I210 PolarHBondContact O-N 3.23Å; T207-K211 WeakPolarHBondContact O-CB 3.47Å; T207-K211 WeakPolarHBondContact O-CG 3.47Å; T207-K211 PolarHBondContact O-N 3.22Å; T207-G292 WeakPolarHBondContact CG2-O 3.48Å; T207-I294 HydrophobicContact CG2-CD1 4.12Å; T207-I294 HydrophobicContact CG2-CG1 4.27Å
208G97.2Very high88.7Confident25 Ų2550.4 Ų50.426%0.25830%0.302SS..Hα-helixtrans-63.8-39.3174.600000112.6T206 S212T206-G208 PolarHBondContact O-N 3.27Å; T206-G208 PolarHBondContact OG1-N 3.14Å; G208-S212 WeakPolarHBondContact O-CB 3.22Å; G208-S212 PolarHBondContact O-N 3.11Å; G208-S212 PolarHBondContact O-OG 3.2Å
209D96.5Very high89.9Confident68 Ų6849.9 Ų49.936%0.36430%0.3SS..Hα-helixtrans-66.8-43.6175.6-57.9-66.8000111V205 T206 T207 S212 L213V205-D209 HydrophobicContact CG2-CB 4.06Å; T206-D209 WeakPolarHBondContact CB-OD2 3.3Å; T206-D209 PolarHBondContact N-OD2 3.32Å; T206-D209 WeakPolarHBondContact O-CB 3.41Å; T206-D209 PolarHBondContact O-N 3.49Å; T206-D209 VanDerWaalsContact O-N 3.12Å; T206-D209 PolarHBondContact OG1-N 3.48Å; T206-D209 PolarHBondContact OG1-OD2 3.09Å; T207-D209 VanDerWaalsContact C-N 3.34Å; D209-S212 PolarHBondContact O-N 3.46Å; D209-L213 PolarHBondContact O-N 3.37Å
210I97.8Very high91.1Very high3 Ų348 Ų482%0.01529%0.293CS..Hα-helixtrans-65.1-45177.6-58.8-50.3000111.5P157 I161 L178 V205 T206 T207 S212 L213 L214 I294P157-I210 HydrophobicContact CB-CD1 3.99Å; I161-I210 HydrophobicContact CD1-CD1 3.76Å; I161-I210 HydrophobicContact CD1-CG1 4.29Å; I161-I210 HydrophobicContact CD1-CG2 3.63Å; L178-I210 HydrophobicContact CD1-CG1 3.8Å; V205-I210 HydrophobicContact CG2-CD1 3.67Å; V205-I210 HydrophobicContact CG2-CG1 4.15Å; T206-I210 PolarHBondContact O-N 2.96Å; T206-I210 VanDerWaalsContact O-N 3.16Å; T207-I210 PolarHBondContact O-N 3.23Å; I210-S212 PolarHBondContact O-N 2.95Å; I210-L213 WeakPolarHBondContact O-CB 3.43Å; I210-L213 PolarHBondContact O-N 3.43Å; I210-L214 HydrophobicContact CG2-CD1 3.95Å; I210-L214 HydrophobicContact CG2-CG 4.27Å; I210-L214 VanDerWaalsContact O-CG 3.29Å; I210-L214 WeakPolarHBondContact O-CG 3.31Å; I210-L214 PolarHBondContact O-N 2.61Å; I210-I294 HydrophobicContact CB-CD1 3.68Å; I210-I294 HydrophobicContact CG2-CD1 3.53Å
211K98.1Very high92.5Very high39 Ų3943.9 Ų43.917%0.1727%0.271CS..Hα-helixtrans-56.2-49.8175.6-73.9177.9-166.4-171.80111T207 L213 L214 D215 Y221 S223 I294T207-K211 WeakPolarHBondContact O-CB 3.47Å; T207-K211 WeakPolarHBondContact O-CG 3.47Å; T207-K211 PolarHBondContact O-N 3.22Å; K211-L213 VanDerWaalsContact C-N 3.29Å; K211-L213 PolarHBondContact O-N 3.23Å; K211-L214 PolarHBondContact O-N 3.04Å; K211-L214 VanDerWaalsContact O-N 3.12Å; K211-D215 WeakPolarHBondContact O-CB 3.42Å; K211-D215 PolarHBondContact O-N 2.96Å; K211-Y221 HydrophobicContact CB-CE2 4.31Å; K211-Y221 WeakPolarHBondContact CB-OH 3.34Å; K211-Y221 HydrophobicContact CD-CE2 4.1Å; K211-Y221 HydrophobicContact CG-CE2 3.65Å; K211-S223 PolarHBondContact NZ-OG 2.9Å; K211-S223 VanDerWaalsContact NZ-OG 3.13Å; K211-I294 HydrophobicContact CG-CD1 3.89Å; K211-I294 HydrophobicContact CG-CG1 4.4Å
212S97.3Very high93.8Very high78 Ų7847.3 Ų47.355%0.54529%0.286SS..Hα-helixtrans-58.5-40.4177.8-57.30000112.5G208 D209 I210 S216G208-S212 WeakPolarHBondContact O-CB 3.22Å; G208-S212 PolarHBondContact O-N 3.11Å; G208-S212 PolarHBondContact O-OG 3.2Å; D209-S212 PolarHBondContact O-N 3.46Å; I210-S212 PolarHBondContact O-N 2.95Å; S212-S216 WeakPolarHBondContact O-CB 3.36Å; S212-S216 PolarHBondContact O-N 2.84Å
213L95.9Very high94.8Very high50 Ų5048.2 Ų48.226%0.26229%0.293SS..Hα-helixtrans-64.3-46.8175.4178.275.7000111.8D209 I210 K211 S216 K217D209-L213 PolarHBondContact O-N 3.37Å; I210-L213 WeakPolarHBondContact O-CB 3.43Å; I210-L213 PolarHBondContact O-N 3.43Å; K211-L213 VanDerWaalsContact C-N 3.29Å; K211-L213 PolarHBondContact O-N 3.23Å; L213-S216 PolarHBondContact O-N 3.32Å; L213-S216 PolarHBondContact O-OG 2.93Å; L213-K217 PolarHBondContact O-N 2.96Å
214L96.6Very high95.8Very high3 Ų350.8 Ų50.82%0.01630%0.304CS..Hα-helixtrans-62.9-43.5179.5-66.3171.6000111.2I161 I210 K211 S216 K217 G218 V219 Y221 I294 I296I161-L214 HydrophobicContact CG2-CD2 4.35Å; I210-L214 HydrophobicContact CG2-CD1 3.95Å; I210-L214 HydrophobicContact CG2-CG 4.27Å; I210-L214 VanDerWaalsContact O-CG 3.29Å; I210-L214 WeakPolarHBondContact O-CG 3.31Å; I210-L214 PolarHBondContact O-N 2.61Å; K211-L214 PolarHBondContact O-N 3.04Å; K211-L214 VanDerWaalsContact O-N 3.12Å; L214-S216 VanDerWaalsContact C-N 3.33Å; L214-S216 PolarHBondContact O-N 3.44Å; L214-K217 CarbonylContact O-C 3.57Å; L214-K217 PolarHBondContact O-N 3.34Å; L214-K217 VanDerWaalsContact O-N 3.09Å; L214-G218 PolarHBondContact O-N 3Å; L214-G218 VanDerWaalsContact O-N 3.07Å; L214-V219 HydrophobicContact CB-CB 4.29Å; L214-V219 HydrophobicContact CD2-CB 3.98Å; L214-V219 HydrophobicContact CD2-CG1 3.9Å; L214-V219 PolarHBondContact O-N 3.32Å; L214-Y221 HydrophobicContact CB-CD1 3.69Å; L214-Y221 HydrophobicContact CB-CE1 3.82Å; L214-Y221 HydrophobicContact CD1-CD1 3.62Å; L214-Y221 HydrophobicContact CD1-CE1 4.24Å; L214-Y221 HydrophobicContact CD1-CG 3.94Å; L214-Y221 HydrophobicContact CG-CD1 4.31Å; L214-I294 HydrophobicContact CD1-CG2 3.83Å; L214-I296 HydrophobicContact CD1-CD1 3.78Å; L214-I296 HydrophobicContact CD1-CG1 4.09Å; L214-I296 HydrophobicContact CD2-CD1 3.84Å; L214-I296 HydrophobicContact CG-CD1 4.47Å
215D97.2Very high96.4Very high94 Ų9455.6 Ų55.650%0.50333%0.329SS..Hα-helixtrans-58.7-44.8175.6-67.5-29.5000111.1K211 K217 G218 Y221K211-D215 WeakPolarHBondContact O-CB 3.42Å; K211-D215 PolarHBondContact O-N 2.96Å; D215-K217 PolarHBondContact O-N 3.17Å; D215-G218 PolarHBondContact O-N 3.43Å; D215-Y221 VanDerWaalsContact OD1-CE1 3.23Å; D215-Y221 WeakPolarHBondContact OD1-CE1 3.17Å; D215-Y221 PolarHBondContact OD1-OH 2.83Å; D215-Y221 PolarHBondContact OD2-OH 2.81Å
216S96.6Very high96.6Very high93 Ų9355.5 Ų55.565%0.6533%0.328SS*.Hα-helixtrans-62.1-25.7177.979.20000113.7S212 L213 L214S212-S216 WeakPolarHBondContact O-CB 3.36Å; S212-S216 PolarHBondContact O-N 2.84Å; L213-S216 PolarHBondContact O-N 3.32Å; L213-S216 PolarHBondContact O-OG 2.93Å; L214-S216 VanDerWaalsContact C-N 3.33Å; L214-S216 PolarHBondContact O-N 3.44Å
217K92.9Very high96.7Very high99 Ų9960 Ų6043%0.4336%0.357SS..THydrogen-bonded Turntrans-95.5-2.1177.9-68.1179.2175.7-179.70112.8G158 S162 L213 L214 D215 V219G158-K217 PolarHBondContact O-NZ 3.5Å; S162-K217 PolarHBondContact OG-NZ 3.26Å; S162-K217 VanDerWaalsContact OG-NZ 3.08Å; L213-K217 PolarHBondContact O-N 2.96Å; L214-K217 CarbonylContact O-C 3.57Å; L214-K217 PolarHBondContact O-N 3.34Å; L214-K217 VanDerWaalsContact O-N 3.09Å; D215-K217 PolarHBondContact O-N 3.17Å; K217-V219 HydrophobicContact CB-CG2 3.92Å; K217-V219 PolarHBondContact O-N 3.46Å
218G93.7Very high96.7Very high65 Ų6560 Ų6067%0.6736%0.357SS*.THydrogen-bonded Turntrans65.723.6-174.700000113.8L214 D215L214-G218 PolarHBondContact O-N 3Å; L214-G218 VanDerWaalsContact O-N 3.07Å; D215-G218 PolarHBondContact O-N 3.43Å
219V94.2Very high96.7Very high29 Ų2964 Ų6418%0.17637%0.369CS..  trans-85.9121.4179.1178.40000109.1L214 K217 Y221 I296L214-V219 HydrophobicContact CB-CB 4.29Å; L214-V219 HydrophobicContact CD2-CB 3.98Å; L214-V219 HydrophobicContact CD2-CG1 3.9Å; L214-V219 PolarHBondContact O-N 3.32Å; K217-V219 HydrophobicContact CB-CG2 3.92Å; K217-V219 PolarHBondContact O-N 3.46Å; V219-Y221 WeakPolarHBondContact O-CD1 3.39Å; V219-I296 HydrophobicContact CG1-CG2 3.89Å
220S94.1Very high96.8Very high106 Ų10660.7 Ų60.774%0.74135%0.352SS*.  trans-74.6142175.9-62.20000111.5
221Y97.5Very high96.8Very high57 Ų5761.8 Ų61.822%0.22436%0.358CS..EExtended strand (participates in β ladder)trans-147.1159.6176.860.3-90.5000111.2K211 L214 D215 V219 I294 V295K211-Y221 HydrophobicContact CB-CE2 4.31Å; K211-Y221 WeakPolarHBondContact CB-OH 3.34Å; K211-Y221 HydrophobicContact CD-CE2 4.1Å; K211-Y221 HydrophobicContact CG-CE2 3.65Å; L214-Y221 HydrophobicContact CB-CD1 3.69Å; L214-Y221 HydrophobicContact CB-CE1 3.82Å; L214-Y221 HydrophobicContact CD1-CD1 3.62Å; L214-Y221 HydrophobicContact CD1-CE1 4.24Å; L214-Y221 HydrophobicContact CD1-CG 3.94Å; L214-Y221 HydrophobicContact CG-CD1 4.31Å; D215-Y221 VanDerWaalsContact OD1-CE1 3.23Å; D215-Y221 WeakPolarHBondContact OD1-CE1 3.17Å; D215-Y221 PolarHBondContact OD1-OH 2.83Å; D215-Y221 PolarHBondContact OD2-OH 2.81Å; V219-Y221 WeakPolarHBondContact O-CD1 3.39Å; Y221-I294 HydrophobicContact CD2-CG2 4.08Å; Y221-I294 HydrophobicContact CG-CG2 4.1Å; Y221-V295 CarbonylContact C-O 3.53Å; Y221-V295 VanDerWaalsContact CA-O 3.24Å; Y221-V295 WeakPolarHBondContact CA-O 3.44Å; Y221-V295 WeakPolarHBondContact CB-O 3.48Å
222H97.4Very high96.9Very high113 Ų11360 Ų6052%0.52335%0.349SS..EExtended strand (participates in β ladder)trans-101.6150.1162.8-60.6-71.2000109.5F224 I294 V295H222-F224 HydrophobicContact CB-CE2 4.22Å; H222-I294 CarbonylContact O-C 3.56Å; H222-I294 WeakPolarHBondContact O-CA 3.41Å; H222-V295 HydrophobicContact CB-CB 4.27Å; H222-V295 PolarHBondContact N-O 3.35Å; H222-V295 PolarHBondContact O-N 3Å
223S97.8Very high96.9Very high52 Ų5258 Ų5836%0.36433%0.334SS..EExtended strand (participates in β ladder)trans-139.5150.3175.173.60000112.8K211 V293K211-S223 PolarHBondContact NZ-OG 2.9Å; K211-S223 VanDerWaalsContact NZ-OG 3.13Å; S223-V293 CarbonylContact C-O 3.55Å; S223-V293 WeakPolarHBondContact CA-O 3.42Å; S223-V293 WeakPolarHBondContact CB-O 3.38Å
224F98.3Very high97Very high60 Ų6057.2 Ų57.226%0.26333%0.329SS..EExtended strand (participates in β ladder)trans-136141.3179.4-51.5-95.4000108.9F41 K45 I49 H222 L226 G292 V293 V295F41-F224 HydrophobicContact CD2-CB 4.41Å; F41-F224 HydrophobicContact CD2-CG 4.46Å; F41-F224 HydrophobicContact CE2-CB 4.25Å; F41-F224 AromaticContact CE2-CD2 3.75Å; F41-F224 HydrophobicContact CE2-CD2 3.75Å; F41-F224 HydrophobicContact CE2-CE2 4.23Å; F41-F224 AromaticContact CE2-CG 3.91Å; F41-F224 HydrophobicContact CE2-CG 3.91Å; F41-F224 HydrophobicContact CZ-CD2 4.43Å; K45-F224 HydrophobicContact CG-CD1 4.49Å; I49-F224 HydrophobicContact CD1-CE2 3.92Å; I49-F224 HydrophobicContact CD1-CZ 4.17Å; H222-F224 HydrophobicContact CB-CE2 4.22Å; F224-L226 HydrophobicContact CB-CD1 4.19Å; F224-G292 CarbonylContact O-C 3.55Å; F224-G292 WeakPolarHBondContact O-CA 3.46Å; F224-V293 HydrophobicContact CB-CB 4.15Å; F224-V293 HydrophobicContact CD2-CB 4.13Å; F224-V293 HydrophobicContact CD2-CG1 4.07Å; F224-V293 PolarHBondContact N-O 3.34Å; F224-V293 PolarHBondContact O-N 3.42Å; F224-V295 HydrophobicContact CE2-CG2 4.05Å
225D97.7Very high97.1Very high113 Ų11357.4 Ų57.460%0.60433%0.331SS*.EExtended strand (participates in β ladder)trans-95.9136.7173.8-60.4-40.7000109.5P227D225-P227 WeakPolarHBondContact O-CD 3.41Å
226L98Very high97.1Very high9 Ų955.5 Ų55.55%0.04732%0.318CS..EExtended strand (participates in β ladder)trans-118.196.4-178.6-86.460.9000107.5C37 F41 F224 S228 N290 L291 V293C37-L226 HydrophobicContact CB-CB 4.33Å; F41-L226 HydrophobicContact CB-CD1 4.18Å; F41-L226 HydrophobicContact CB-CD2 3.87Å; F41-L226 HydrophobicContact CB-CG 4.11Å; F41-L226 HydrophobicContact CD2-CD1 4.13Å; F41-L226 HydrophobicContact CG-CD1 4.3Å; F41-L226 HydrophobicContact CG-CD2 4.38Å; F224-L226 HydrophobicContact CB-CD1 4.19Å; L226-S228 PolarHBondContact O-N 2.75Å; L226-N290 WeakPolarHBondContact O-CA 3.46Å; L226-L291 HydrophobicContact CB-CB 3.88Å; L226-L291 HydrophobicContact CD2-CB 4.4Å; L226-L291 PolarHBondContact N-O 3.47Å; L226-L291 PolarHBondContact O-N 2.93Å; L226-V293 HydrophobicContact CD1-CB 4.35Å; L226-V293 HydrophobicContact CD1-CG2 3.44Å; L226-V293 VanDerWaalsContact CD1-CG2 3.44Å; L226-V293 HydrophobicContact CD2-CG2 3.84Å; L226-V293 HydrophobicContact CG-CG2 4.32Å
227P97.7Very high97.1Very high102 Ų10254.9 Ų54.966%0.66231%0.311SS*.  trans-56.8128.8174.9-25.335.2000110.7C37 D225 N290C37-P227 WeakPolarHBondContact CB-O 3.47Å; D225-P227 WeakPolarHBondContact O-CD 3.41Å; P227-N290 VanDerWaalsContact CA-OD1 3.27Å; P227-N290 WeakPolarHBondContact CA-OD1 3.43Å
228S98.2Very high97.1Very high2 Ų258.8 Ų58.81%0.01433%0.33CS..  trans-152.9151-178.4178.90000110.6S33 L226 N289 N290S33-S228 VanDerWaalsContact OG-CA 3.23Å; S33-S228 WeakPolarHBondContact OG-CA 3.22Å; S33-S228 PolarHBondContact OG-OG 3.2Å; L226-S228 PolarHBondContact O-N 2.75Å; S228-N289 VanDerWaalsContact CB-O 3.27Å; S228-N289 WeakPolarHBondContact CB-O 3.49Å; S228-N289 CarbonylContact O-C 3.55Å; S228-N289 WeakPolarHBondContact O-CA 3.31Å; S228-N289 PolarHBondContact O-N 2.97Å; S228-N289 PolarHBondContact OG-ND2 3.38Å; S228-N290 PolarHBondContact N-OD1 3.23Å; S228-N290 PolarHBondContact O-N 2.91Å; S228-N290 PolarHBondContact O-OD1 3.2Å
229Q97.8Very high97.1Very high108 Ų10858.2 Ų58.251%0.50532%0.324SS..EExtended strand (participates in β ladder)trans-132.9153.1-173-68.7-178.7-5.300109.9S32 S33 I286 F287S32-Q229 CarbonylContact C-O 3.59Å; S32-Q229 WeakPolarHBondContact CA-O 3.4Å; S32-Q229 VanDerWaalsContact CB-O 3.3Å; S32-Q229 WeakPolarHBondContact CB-O 3.43Å; S33-Q229 PolarHBondContact N-O 3.11Å; S33-Q229 PolarHBondContact OG-N 2.92Å; S33-Q229 PolarHBondContact OG-O 3.27Å; Q229-I286 HydrophobicContact CB-CG2 3.62Å; Q229-I286 HydrophobicContact CG-CG2 3.79Å; Q229-F287 WeakPolarHBondContact CA-O 3.48Å
230M98.4Very high97.3Very high0 Ų059.2 Ų59.20%033%0.329CS..EExtended strand (participates in β ladder)trans-137.6124.8174.6176.6-170.4179.500109F28 R31 W185 I232 L246 L250 F287 N289F28-M230 HydrophobicContact CB-CE 4.46Å; F28-M230 HydrophobicContact CD2-CE 3.87Å; F28-M230 HydrophobicContact CD2-CG 4.3Å; F28-M230 HydrophobicContact CD2-SD 3.73Å; F28-M230 HydrophobicContact CE2-SD 4.09Å; R31-M230 CarbonylContact O-C 3.19Å; R31-M230 WeakPolarHBondContact O-CA 3.36Å; W185-M230 HydrophobicContact CZ2-SD 4.47Å; M230-I232 HydrophobicContact CE-CG2 3.95Å; M230-I232 HydrophobicContact CG-CG2 3.89Å; M230-I232 PolarHBondContact O-N 3.34Å; M230-I232 HydrophobicContact SD-CG2 3.9Å; M230-L246 HydrophobicContact CE-CB 4.38Å; M230-L246 HydrophobicContact CE-CD1 4.37Å; M230-L246 HydrophobicContact CE-CD2 3.49Å; M230-L246 VanDerWaalsContact CE-CD2 3.49Å; M230-L246 HydrophobicContact CE-CG 4.27Å; M230-L250 HydrophobicContact CE-CD2 4.46Å; M230-L250 HydrophobicContact CE-CG 4.36Å; M230-L250 HydrophobicContact SD-CD2 4.18Å; M230-F287 HydrophobicContact CB-CB 4.26Å; M230-F287 HydrophobicContact CB-CD1 4.4Å; M230-F287 PolarHBondContact N-O 3.05Å; M230-F287 WeakPolarHBondContact O-CB 3.19Å; M230-F287 PolarHBondContact O-N 2.87Å; M230-F287 HydrophobicContact SD-CD1 4.38Å; M230-N289 HydrophobicContact CB-CB 4.01Å
231D98.5Very high97.5Very high26 Ų2661.1 Ų61.114%0.13933%0.326CS..EExtended strand (participates in β ladder)trans-77.7115.3174.6-167.6-18.6000109.5R31 T233 I286R31-D231 PolarHBondContact O-N 2.98Å; D231-T233 VanDerWaalsContact OD1-CB 3.24Å; D231-T233 WeakPolarHBondContact OD1-CB 3.5Å; D231-T233 PolarHBondContact OD1-N 3.44Å; D231-T233 PolarHBondContact OD1-OG1 3.36Å; D231-I286 HydrophobicContact CB-CD1 4.2Å
232I98.6Very high97.5Very high0 Ų062.3 Ų62.30%033%0.332CS..  trans-115.420.3-178.962.2159.6000111.7M230 E234 C235 F236 L250 L272 V285 F287M230-I232 HydrophobicContact CE-CG2 3.95Å; M230-I232 HydrophobicContact CG-CG2 3.89Å; M230-I232 PolarHBondContact O-N 3.34Å; M230-I232 HydrophobicContact SD-CG2 3.9Å; I232-E234 VanDerWaalsContact C-N 3.28Å; I232-E234 PolarHBondContact O-N 2.89Å; I232-C235 WeakPolarHBondContact O-CB 3.34Å; I232-C235 PolarHBondContact O-N 3.43Å; I232-F236 HydrophobicContact CD1-CE2 3.89Å; I232-F236 HydrophobicContact CD1-CZ 4.1Å; I232-F236 HydrophobicContact CG1-CE2 4.11Å; I232-F236 WeakPolarHBondContact O-CD2 3.45Å; I232-F236 WeakPolarHBondContact O-CE2 3.43Å; I232-L250 HydrophobicContact CG2-CD1 3.97Å; I232-L272 HydrophobicContact CD1-CB 4.01Å; I232-V285 HydrophobicContact CD1-CG1 3.91Å; I232-V285 HydrophobicContact CG1-CB 4.07Å; I232-V285 HydrophobicContact CG1-CG1 3.79Å; I232-V285 WeakPolarHBondContact CG1-O 3.02Å; I232-V285 PolarHBondContact N-O 2.83Å; I232-F287 HydrophobicContact CD1-CB 3.94Å; I232-F287 HydrophobicContact CD1-CD2 4.24Å; I232-F287 HydrophobicContact CD1-CG 4.47Å; I232-F287 HydrophobicContact CG1-CB 3.97Å; I232-F287 HydrophobicContact CG2-CB 3.81Å; I232-F287 HydrophobicContact CG2-CG 4.49Å
233T98.4Very high97.6Very high36 Ų3657 Ų5722%0.22131%0.308CS..G310 helixtrans-55.9-43.6-174.1-58.70000112D231 C235 F236 R284 V285D231-T233 VanDerWaalsContact OD1-CB 3.24Å; D231-T233 WeakPolarHBondContact OD1-CB 3.5Å; D231-T233 PolarHBondContact OD1-N 3.44Å; D231-T233 PolarHBondContact OD1-OG1 3.36Å; T233-C235 PolarHBondContact O-N 3.2Å; T233-F236 PolarHBondContact O-N 3.46Å; T233-R284 VanDerWaalsContact OG1-CA 3.26Å; T233-R284 WeakPolarHBondContact OG1-CA 3.19Å; T233-V285 PolarHBondContact OG1-N 3.39Å
234E98.1Very high97.6Very high35 Ų3556.2 Ų56.216%0.16430%0.299CS..G310 helixtrans-66.1-19.5-178.8-68.387164.200113.6R31 I232 F236 T237 D240 K242 G243R31-E234 IonicContact CZ-OE1 2.61Å; R31-E234 IonicContact CZ-OE2 3.2Å; R31-E234 IonicContact NH1-OE1 3.71Å; R31-E234 PolarHBondContact NH1-OE1 2.87Å; R31-E234 IonicContact NH1-OE2 2.85Å; R31-E234 PolarHBondContact NH1-OE2 2.78Å; R31-E234 IonicContact NH2-OE1 3.2Å; R31-E234 PolarHBondContact NH2-OE1 3.38Å; R31-E234 IonicContact NH2-OE2 2.66Å; I232-E234 VanDerWaalsContact C-N 3.28Å; I232-E234 PolarHBondContact O-N 2.89Å; E234-F236 PolarHBondContact O-N 3.34Å; E234-F236 VanDerWaalsContact O-N 3.08Å; E234-T237 PolarHBondContact O-N 3.23Å; E234-T237 VanDerWaalsContact O-N 3.08Å; E234-D240 HydrophobicContact CB-CB 4.46Å; E234-D240 WeakPolarHBondContact CB-OD1 3.5Å; E234-K242 HydrophobicContact CB-CB 4.33Å; E234-K242 HydrophobicContact CG-CB 4.44Å; E234-G243 VanDerWaalsContact C-CA 3.42Å; E234-G243 WeakPolarHBondContact O-CA 3.44Å
235C98.3Very high97.6Very high7 Ų754.2 Ų54.25%0.04729%0.291CS..G310 helixtrans-60.1-20.9175-63.60000113.1I232 T233 L246 L247 L269I232-C235 WeakPolarHBondContact O-CB 3.34Å; I232-C235 PolarHBondContact O-N 3.43Å; T233-C235 PolarHBondContact O-N 3.2Å; C235-L246 VanDerWaalsContact SG-CB 3.54Å; C235-L247 HydrophobicContact CB-CD1 4.46Å; C235-L247 HydrophobicContact CB-CD2 3.95Å; C235-L247 HydrophobicContact CB-CG 3.95Å; C235-L269 WeakPolarHBondContact O-CD2 3.35Å
236F97.4Very high97.6Very high54 Ų5448.9 Ų48.924%0.23726%0.262CS..G310 helixtrans-98.53.1-178.5-55.8-78.5000113.5I232 T233 E234 L269 L272 R273 V285I232-F236 HydrophobicContact CD1-CE2 3.89Å; I232-F236 HydrophobicContact CD1-CZ 4.1Å; I232-F236 HydrophobicContact CG1-CE2 4.11Å; I232-F236 WeakPolarHBondContact O-CD2 3.45Å; I232-F236 WeakPolarHBondContact O-CE2 3.43Å; T233-F236 PolarHBondContact O-N 3.46Å; E234-F236 PolarHBondContact O-N 3.34Å; E234-F236 VanDerWaalsContact O-N 3.08Å; F236-L269 HydrophobicContact CD1-CD2 4.17Å; F236-L269 HydrophobicContact CE1-CB 4.3Å; F236-L269 HydrophobicContact CE1-CD2 4.11Å; F236-L269 WeakPolarHBondContact CE1-O 3.25Å; F236-L272 HydrophobicContact CZ-CB 4.06Å; F236-R273 HydrophobicContact CE1-CB 3.76Å; F236-R273 HydrophobicContact CE1-CG 4.23Å; F236-R273 HydrophobicContact CZ-CB 3.76Å; F236-R273 HydrophobicContact CZ-CG 4.17Å; F236-V285 HydrophobicContact CD2-CB 4.28Å; F236-V285 HydrophobicContact CD2-CG2 3.89Å; F236-V285 HydrophobicContact CE2-CB 3.8Å; F236-V285 HydrophobicContact CE2-CG1 3.7Å; F236-V285 HydrophobicContact CE2-CG2 3.79Å; F236-V285 HydrophobicContact CZ-CG1 4.2Å
237T96.8Very high97.6Very high80 Ų8048.7 Ų48.749%0.49126%0.261SS..SBendtrans-103.5112.5176.7-57.90000109.2E234 G239 D240E234-T237 PolarHBondContact O-N 3.23Å; E234-T237 VanDerWaalsContact O-N 3.08Å; T237-G239 PolarHBondContact O-N 3.07Å; T237-D240 HydrophobicContact CG2-CB 4.02Å; T237-D240 WeakPolarHBondContact O-CB 3.32Å; T237-D240 PolarHBondContact O-N 3.38Å; T237-D240 VanDerWaalsContact O-N 3.17Å
238E93.2Very high97.6Very high180 Ų18043.8 Ų43.884%0.84123%0.23SC*.THydrogen-bonded Turntrans-60.5126.3-179-172.3176.2-170.300111.5D240E238-D240 VanDerWaalsContact C-N 3.3Å; E238-D240 PolarHBondContact O-N 3.22Å
239G93.8Very high97.5Very high53 Ų5344.3 Ų44.355%0.54623%0.232SC..THydrogen-bonded Turntrans79.44.6179.300000115.1T237 E241T237-G239 PolarHBondContact O-N 3.07Å; G239-E241 PolarHBondContact O-N 3.15Å
240D97.9Very high97.4Very high50 Ų5039.2 Ų39.227%0.26721%0.208SC..  trans-71.7120.5172.8-171.6-72.9000110.9E234 T237 E238 K242 G243 E244E234-D240 HydrophobicContact CB-CB 4.46Å; E234-D240 WeakPolarHBondContact CB-OD1 3.5Å; T237-D240 HydrophobicContact CG2-CB 4.02Å; T237-D240 WeakPolarHBondContact O-CB 3.32Å; T237-D240 PolarHBondContact O-N 3.38Å; T237-D240 VanDerWaalsContact O-N 3.17Å; E238-D240 VanDerWaalsContact C-N 3.3Å; E238-D240 PolarHBondContact O-N 3.22Å; D240-K242 VanDerWaalsContact C-N 3.3Å; D240-K242 PolarHBondContact O-N 3.48Å; D240-K242 WeakPolarHBondContact OD1-CA 3.39Å; D240-K242 VanDerWaalsContact OD1-CB 3.29Å; D240-K242 WeakPolarHBondContact OD1-CB 3.42Å; D240-K242 PolarHBondContact OD1-N 3.12Å; D240-G243 PolarHBondContact O-N 3.12Å; D240-G243 VanDerWaalsContact O-N 3.17Å; D240-G243 PolarHBondContact OD1-N 3.25Å; D240-E244 WeakPolarHBondContact O-CG 3.38Å; D240-E244 PolarHBondContact O-N 3.27Å
241E97.6Very high97.2Very high147 Ų14739.3 Ų39.369%0.68721%0.208SC*.Hα-helixtrans-62.1-35.1-176.6-64.5-174.5173.400113.2G239 L245G239-E241 PolarHBondContact O-N 3.15Å; E241-L245 WeakPolarHBondContact O-CG 3.29Å; E241-L245 PolarHBondContact O-N 3.32Å; E241-L245 VanDerWaalsContact O-N 3.16Å
242K98.1Very high96.9Very high82 Ų8239 Ų3936%0.35721%0.206SC..Hα-helixtrans-71-43.1176.8-66-172.6-179.8-168.30109.7L27 E30 R31 E234 D240 E244 L245 L246L27-K242 HydrophobicContact CD1-CD 4.13Å; L27-K242 HydrophobicContact CD1-CG 4.27Å; L27-K242 HydrophobicContact CD2-CB 3.81Å; L27-K242 HydrophobicContact CD2-CG 4.15Å; L27-K242 WeakPolarHBondContact CD2-O 3.46Å; E30-K242 IonicContact OE1-NZ 3.76Å; R31-K242 VanDerWaalsContact NH2-CD 3.26Å; E234-K242 HydrophobicContact CB-CB 4.33Å; E234-K242 HydrophobicContact CG-CB 4.44Å; D240-K242 VanDerWaalsContact C-N 3.3Å; D240-K242 PolarHBondContact O-N 3.48Å; D240-K242 WeakPolarHBondContact OD1-CA 3.39Å; D240-K242 VanDerWaalsContact OD1-CB 3.29Å; D240-K242 WeakPolarHBondContact OD1-CB 3.42Å; D240-K242 PolarHBondContact OD1-N 3.12Å; K242-E244 VanDerWaalsContact C-N 3.32Å; K242-E244 PolarHBondContact O-N 3.03Å; K242-L245 PolarHBondContact O-N 3.35Å; K242-L246 WeakPolarHBondContact O-CB 3.5Å; K242-L246 WeakPolarHBondContact O-CG 3.41Å; K242-L246 PolarHBondContact O-N 2.84Å
243G98.3Very high96.7Very high2 Ų239.1 Ų39.12%0.02121%0.207CC..Hα-helixtrans-55-46.4173.600000112.6E234 D240 L246 L247E234-G243 VanDerWaalsContact C-CA 3.42Å; E234-G243 WeakPolarHBondContact O-CA 3.44Å; D240-G243 PolarHBondContact O-N 3.12Å; D240-G243 VanDerWaalsContact O-N 3.17Å; D240-G243 PolarHBondContact OD1-N 3.25Å; G243-L246 PolarHBondContact O-N 3.42Å; G243-L247 WeakPolarHBondContact O-CB 3.49Å; G243-L247 VanDerWaalsContact O-CG 3.32Å; G243-L247 WeakPolarHBondContact O-CG 3.31Å; G243-L247 PolarHBondContact O-N 3.47Å
244E97.9Very high96.5Very high35 Ų3538.6 Ų38.616%0.16420%0.203CC..Hα-helixtrans-62.5-43.8177.1-68.2-165.1161.300112.7D240 K242 L246 L247 D248 N257D240-E244 WeakPolarHBondContact O-CG 3.38Å; D240-E244 PolarHBondContact O-N 3.27Å; K242-E244 VanDerWaalsContact C-N 3.32Å; K242-E244 PolarHBondContact O-N 3.03Å; E244-L246 PolarHBondContact O-N 3.22Å; E244-L247 PolarHBondContact O-N 3.23Å; E244-D248 PolarHBondContact O-N 3.39Å; E244-N257 HydrophobicContact CG-CB 4.31Å; E244-N257 PolarHBondContact OE1-ND2 2.92Å
245L98.3Very high96.4Very high17 Ų1738.9 Ų38.99%0.08921%0.205CC..Hα-helixtrans-65.1-38.3177.8-73.2173.5000112.5R20 R23 S24 L27 E241 K242 F249R20-L245 HydrophobicContact CG-CD2 4.09Å; R23-L245 HydrophobicContact CB-CD2 4.43Å; S24-L245 WeakPolarHBondContact CB-O 3.17Å; S24-L245 PolarHBondContact OG-O 3.46Å; L27-L245 HydrophobicContact CD2-CB 3.79Å; L27-L245 HydrophobicContact CD2-CD1 4.22Å; E241-L245 WeakPolarHBondContact O-CG 3.29Å; E241-L245 PolarHBondContact O-N 3.32Å; E241-L245 VanDerWaalsContact O-N 3.16Å; K242-L245 PolarHBondContact O-N 3.35Å; L245-F249 PolarHBondContact O-N 3.26Å; L245-F249 VanDerWaalsContact O-N 3.16Å
246L98.4Very high96.3Very high1 Ų138.5 Ų38.51%0.00520%0.203CC..Hα-helixtrans-70.1-37.8176.6-70.7-175.5000111.9L27 M230 C235 K242 G243 E244 D248 F249 L250L27-L246 HydrophobicContact CB-CD2 4.36Å; L27-L246 HydrophobicContact CD2-CD2 3.85Å; L27-L246 HydrophobicContact CD2-CG 3.78Å; L27-L246 HydrophobicContact CG-CD2 3.74Å; L27-L246 HydrophobicContact CG-CG 4.15Å; M230-L246 HydrophobicContact CE-CB 4.38Å; M230-L246 HydrophobicContact CE-CD1 4.37Å; M230-L246 HydrophobicContact CE-CD2 3.49Å; M230-L246 VanDerWaalsContact CE-CD2 3.49Å; M230-L246 HydrophobicContact CE-CG 4.27Å; C235-L246 VanDerWaalsContact SG-CB 3.54Å; K242-L246 WeakPolarHBondContact O-CB 3.5Å; K242-L246 WeakPolarHBondContact O-CG 3.41Å; K242-L246 PolarHBondContact O-N 2.84Å; G243-L246 PolarHBondContact O-N 3.42Å; E244-L246 PolarHBondContact O-N 3.22Å; L246-D248 VanDerWaalsContact C-N 3.35Å; L246-F249 PolarHBondContact O-N 3.45Å; L246-L250 WeakPolarHBondContact O-CB 3.47Å; L246-L250 WeakPolarHBondContact O-CD1 3.14Å; L246-L250 VanDerWaalsContact O-CG 3.31Å; L246-L250 WeakPolarHBondContact O-CG 3.37Å; L246-L250 PolarHBondContact O-N 3.08Å
247L98.1Very high96.1Very high5 Ų537.5 Ų37.53%0.02620%0.2CC..Hα-helixtrans-63-42.6174.4-77.5172.9000111.7C235 G243 E244 F249 L250 T251 F256 L269 L272C235-L247 HydrophobicContact CB-CD1 4.46Å; C235-L247 HydrophobicContact CB-CD2 3.95Å; C235-L247 HydrophobicContact CB-CG 3.95Å; G243-L247 WeakPolarHBondContact O-CB 3.49Å; G243-L247 VanDerWaalsContact O-CG 3.32Å; G243-L247 WeakPolarHBondContact O-CG 3.31Å; G243-L247 PolarHBondContact O-N 3.47Å; E244-L247 PolarHBondContact O-N 3.23Å; L247-F249 VanDerWaalsContact C-N 3.27Å; L247-F249 PolarHBondContact O-N 2.95Å; L247-L250 PolarHBondContact O-N 3.08Å; L247-T251 WeakPolarHBondContact O-CB 3.29Å; L247-T251 WeakPolarHBondContact O-CG2 3.39Å; L247-T251 PolarHBondContact O-N 2.9Å; L247-T251 PolarHBondContact O-OG1 2.85Å; L247-F256 HydrophobicContact CB-CD1 4.29Å; L247-L269 HydrophobicContact CD1-CD2 4.28Å; L247-L269 HydrophobicContact CD2-CD2 3.81Å; L247-L272 HydrophobicContact CD2-CD1 3.82Å
248D97.1Very high96Very high0 Ų040.1 Ų40.10%020%0.204CC..Hα-helixtrans-60-40.1174.5-75.816.6000111.8L14 R20 E244 L246 T251 E252 V253 D255 F256L14-D248 HydrophobicContact CD1-CB 4.23Å; L14-D248 HydrophobicContact CD2-CB 4.4Å; R20-D248 IonicContact CZ-OD2 3.83Å; R20-D248 IonicContact NE-OD2 3.95Å; R20-D248 PolarHBondContact NE-OD2 3.04Å; R20-D248 IonicContact NH2-OD1 2.87Å; R20-D248 IonicContact NH2-OD2 3.85Å; R20-D248 PolarHBondContact NH2-OD2 3.23Å; E244-D248 PolarHBondContact O-N 3.39Å; L246-D248 VanDerWaalsContact C-N 3.35Å; D248-T251 PolarHBondContact O-OG1 2.7Å; D248-E252 CarbonylContact O-C 3.39Å; D248-E252 VanDerWaalsContact O-CA 3.25Å; D248-E252 WeakPolarHBondContact O-CA 3.21Å; D248-E252 PolarHBondContact O-N 2.04Å; D248-V253 VanDerWaalsContact CA-O 3.31Å; D248-V253 WeakPolarHBondContact CA-O 3.37Å; D248-V253 VanDerWaalsContact CB-O 3.32Å; D248-V253 WeakPolarHBondContact CB-O 3.31Å; D248-V253 PolarHBondContact O-N 2.84Å; D248-D255 PolarHBondContact OD1-N 3.25Å; D248-D255 WeakPolarHBondContact OD2-CA 3.42Å; D248-D255 PolarHBondContact OD2-N 3.15Å; D248-F256 WeakPolarHBondContact OD1-CB 3.27Å; D248-F256 PolarHBondContact OD1-N 3.04Å
249F96.1Very high96.1Very high13 Ų1335.1 Ų35.16%0.05719%0.186CC..Hα-helixtrans-67.2-50.2176.1-167.3-105.6000112.2L14 F25 F28 W185 L245 L246 L247 T251 E252L14-F249 HydrophobicContact CD2-CD2 4.46Å; F25-F249 HydrophobicContact CB-CE2 4.32Å; F25-F249 AromaticContact CD2-CE2 3.98Å; F25-F249 HydrophobicContact CD2-CE2 3.98Å; F25-F249 HydrophobicContact CD2-CZ 4.13Å; F28-F249 HydrophobicContact CB-CD1 3.79Å; F28-F249 HydrophobicContact CB-CE1 3.75Å; F28-F249 HydrophobicContact CB-CG 4.25Å; F28-F249 HydrophobicContact CB-CZ 4.18Å; F28-F249 AromaticContact CD1-CE1 3.63Å; F28-F249 HydrophobicContact CD1-CE1 3.63Å; F28-F249 AromaticContact CD1-CZ 3.63Å; F28-F249 HydrophobicContact CD1-CZ 3.63Å; F28-F249 HydrophobicContact CD2-CD1 4Å; F28-F249 AromaticContact CD2-CE1 3.54Å; F28-F249 HydrophobicContact CD2-CE1 3.54Å; F28-F249 HydrophobicContact CD2-CZ 4.38Å; F28-F249 HydrophobicContact CE1-CE1 4.06Å; F28-F249 HydrophobicContact CE1-CZ 4.06Å; F28-F249 AromaticContact CE2-CE1 3.99Å; F28-F249 HydrophobicContact CE2-CE1 3.99Å; F28-F249 AromaticContact CG-CD1 3.85Å; F28-F249 HydrophobicContact CG-CD1 3.85Å; F28-F249 AromaticContact CG-CE1 3.33Å; F28-F249 HydrophobicContact CG-CE1 3.33Å; F28-F249 AromaticContact CG-CZ 3.79Å; F28-F249 HydrophobicContact CG-CZ 3.79Å; F28-F249 HydrophobicContact CZ-CE1 4.22Å; W185-F249 AromaticContact CH2-CD1 3.82Å; W185-F249 HydrophobicContact CH2-CD1 3.82Å; W185-F249 AromaticContact CH2-CE1 3.81Å; W185-F249 HydrophobicContact CH2-CE1 3.81Å; W185-F249 HydrophobicContact CZ2-CD1 4.39Å; W185-F249 HydrophobicContact CZ2-CE1 4.09Å; L245-F249 PolarHBondContact O-N 3.26Å; L245-F249 VanDerWaalsContact O-N 3.16Å; L246-F249 PolarHBondContact O-N 3.45Å; L247-F249 VanDerWaalsContact C-N 3.27Å; L247-F249 PolarHBondContact O-N 2.95Å; F249-T251 PolarHBondContact O-N 3.38Å; F249-E252 PolarHBondContact O-N 2.97Å
250L96.3Very high96.1Very high0 Ų033.4 Ų33.40%017%0.167CC..Hα-helixtrans-58.2-36.5-179.9-75.9161.6000112.1W185 L188 M230 I232 L246 L247 L272 F287W185-L250 HydrophobicContact CH2-CD2 3.72Å; W185-L250 HydrophobicContact CH2-CG 4.39Å; W185-L250 HydrophobicContact CZ2-CD2 4.09Å; W185-L250 HydrophobicContact CZ3-CD2 4Å; L188-L250 HydrophobicContact CD2-CB 4.4Å; L188-L250 WeakPolarHBondContact CD2-O 3.22Å; M230-L250 HydrophobicContact CE-CD2 4.46Å; M230-L250 HydrophobicContact CE-CG 4.36Å; M230-L250 HydrophobicContact SD-CD2 4.18Å; I232-L250 HydrophobicContact CG2-CD1 3.97Å; L246-L250 WeakPolarHBondContact O-CB 3.47Å; L246-L250 WeakPolarHBondContact O-CD1 3.14Å; L246-L250 VanDerWaalsContact O-CG 3.31Å; L246-L250 WeakPolarHBondContact O-CG 3.37Å; L246-L250 PolarHBondContact O-N 3.08Å; L247-L250 PolarHBondContact O-N 3.08Å; L250-L272 HydrophobicContact CD1-CD1 3.91Å; L250-L272 HydrophobicContact CD1-CD2 4.13Å; L250-L272 HydrophobicContact CD2-CD2 4.2Å; L250-F287 HydrophobicContact CD2-CD1 4.32Å; L250-F287 HydrophobicContact CD2-CE1 4.01Å; L250-F287 HydrophobicContact CD2-CE2 4.45Å; L250-F287 HydrophobicContact CD2-CZ 4.05Å
251T94.7Very high96Very high3 Ų333.7 Ų33.72%0.01817%0.173CC..Hα-helixtrans-94.2-12.7-177.160.50000113.7L196 L247 D248 F249 V253 F256 V268L196-T251 HydrophobicContact CD1-CG2 4.21Å; L196-T251 HydrophobicContact CD2-CG2 4.35Å; L247-T251 WeakPolarHBondContact O-CB 3.29Å; L247-T251 WeakPolarHBondContact O-CG2 3.39Å; L247-T251 PolarHBondContact O-N 2.9Å; L247-T251 PolarHBondContact O-OG1 2.85Å; D248-T251 PolarHBondContact O-OG1 2.7Å; F249-T251 PolarHBondContact O-N 3.38Å; T251-V253 PolarHBondContact O-N 3.39Å; T251-V253 PolarHBondContact OG1-N 3.37Å; T251-F256 HydrophobicContact CG2-CD1 3.97Å; T251-F256 HydrophobicContact CG2-CD2 3.78Å; T251-F256 HydrophobicContact CG2-CE1 4.01Å; T251-F256 HydrophobicContact CG2-CE2 3.82Å; T251-F256 HydrophobicContact CG2-CG 3.86Å; T251-F256 HydrophobicContact CG2-CZ 3.94Å; T251-F256 WeakPolarHBondContact OG1-CB 3.45Å; T251-F256 WeakPolarHBondContact OG1-CG 3.36Å; T251-V268 HydrophobicContact CG2-CG1 3.99Å
252E92.8Very high95.9Very high20 Ų2030.7 Ų30.79%0.09317%0.166CC..THydrogen-bonded Turntrans54.826.8-169.2-65.8-68.2168.800113.4S13 L14 D248 F249S13-E252 WeakPolarHBondContact CA-O 3.21Å; L14-E252 PolarHBondContact N-O 3.23Å; D248-E252 CarbonylContact O-C 3.39Å; D248-E252 VanDerWaalsContact O-CA 3.25Å; D248-E252 WeakPolarHBondContact O-CA 3.21Å; D248-E252 PolarHBondContact O-N 2.04Å; F249-E252 PolarHBondContact O-N 2.97Å
253V93.5Very high95.9Very high2 Ų233.5 Ų33.51%0.01218%0.18CC..BIsolated β-bridgetrans-115.4130.7-177.4172.50000110.6L11 K12 L196 D248 T251 D255 F256L11-V253 HydrophobicContact CB-CG1 3.92Å; L11-V253 HydrophobicContact CB-CG2 4.07Å; L11-V253 HydrophobicContact CD1-CG1 4.24Å; L11-V253 HydrophobicContact CD1-CG2 4Å; L11-V253 HydrophobicContact CD2-CG1 4.12Å; L11-V253 HydrophobicContact CG-CG1 4.31Å; K12-V253 WeakPolarHBondContact O-CA 3.18Å; L196-V253 HydrophobicContact CD2-CG2 4.07Å; D248-V253 VanDerWaalsContact CA-O 3.31Å; D248-V253 WeakPolarHBondContact CA-O 3.37Å; D248-V253 VanDerWaalsContact CB-O 3.32Å; D248-V253 WeakPolarHBondContact CB-O 3.31Å; D248-V253 PolarHBondContact O-N 2.84Å; T251-V253 PolarHBondContact O-N 3.39Å; T251-V253 PolarHBondContact OG1-N 3.37Å; V253-D255 PolarHBondContact O-N 3.16Å; V253-F256 HydrophobicContact CB-CB 4.12Å; V253-F256 HydrophobicContact CB-CD2 4.04Å; V253-F256 HydrophobicContact CG1-CB 4.11Å; V253-F256 HydrophobicContact CG1-CD2 4.12Å; V253-F256 HydrophobicContact CG2-CD2 4.46Å
254L94.4Very high95.8Very high25 Ų2534.4 Ų34.413%0.13119%0.185CC..THydrogen-bonded Turntrans-67.8121.5176.217858.5000111.2K12 L14 D17 R20 F256 T259K12-L254 HydrophobicContact CB-CB 4.22Å; K12-L254 HydrophobicContact CB-CD2 4.45Å; K12-L254 WeakPolarHBondContact O-CB 3.38Å; K12-L254 PolarHBondContact O-N 2.85Å; L14-L254 HydrophobicContact CD1-CD1 4.37Å; D17-L254 HydrophobicContact CB-CD1 3.82Å; D17-L254 HydrophobicContact CB-CD2 4.14Å; R20-L254 HydrophobicContact CB-CD1 4.5Å; R20-L254 VanDerWaalsContact CD-CD1 3.41Å; R20-L254 HydrophobicContact CG-CD1 4.45Å; L254-F256 VanDerWaalsContact C-N 3.32Å; L254-F256 PolarHBondContact O-N 2.66Å; L254-T259 PolarHBondContact O-OG1 3.4Å
255D95.4Very high95.7Very high40 Ų4035 Ų3521%0.21419%0.187CC..THydrogen-bonded Turntrans52.747.7-178.4-73.3-68.7000111.6R20 D248 V253 N257 K258 T259R20-D255 IonicContact CZ-OD1 3.96Å; R20-D255 IonicContact NE-OD1 3.27Å; R20-D255 IonicContact NH1-OD1 3.21Å; R20-D255 PolarHBondContact NH1-OD1 3.11Å; R20-D255 IonicContact NH2-OD1 2.92Å; R20-D255 PolarHBondContact NH2-OD1 3.17Å; D248-D255 PolarHBondContact OD1-N 3.25Å; D248-D255 WeakPolarHBondContact OD2-CA 3.42Å; D248-D255 PolarHBondContact OD2-N 3.15Å; V253-D255 PolarHBondContact O-N 3.16Å; D255-N257 PolarHBondContact O-N 3.17Å; D255-K258 HydrophobicContact CB-CB 4.35Å; D255-K258 HydrophobicContact CB-CD 4.24Å; D255-K258 PolarHBondContact O-N 3.49Å; D255-K258 IonicContact OD1-NZ 3.41Å; D255-K258 PolarHBondContact OD1-NZ 3.16Å; D255-T259 HydrophobicContact CB-CG2 4.25Å; D255-T259 WeakPolarHBondContact O-CG2 3.42Å; D255-T259 PolarHBondContact O-N 3.18Å; D255-T259 PolarHBondContact O-OG1 2.88Å
256F96.1Very high95.7Very high0 Ų039 Ų390%021%0.208CC..Hα-helixtrans-50.4-46.4-175.1174.5-102.6000111.8L196 L247 D248 T251 V253 L254 K258 T259 A260 L264 K265 V268L196-F256 HydrophobicContact CD2-CD2 4.35Å; L196-F256 HydrophobicContact CD2-CE2 3.84Å; L247-F256 HydrophobicContact CB-CD1 4.29Å; D248-F256 WeakPolarHBondContact OD1-CB 3.27Å; D248-F256 PolarHBondContact OD1-N 3.04Å; T251-F256 HydrophobicContact CG2-CD1 3.97Å; T251-F256 HydrophobicContact CG2-CD2 3.78Å; T251-F256 HydrophobicContact CG2-CE1 4.01Å; T251-F256 HydrophobicContact CG2-CE2 3.82Å; T251-F256 HydrophobicContact CG2-CG 3.86Å; T251-F256 HydrophobicContact CG2-CZ 3.94Å; T251-F256 WeakPolarHBondContact OG1-CB 3.45Å; T251-F256 WeakPolarHBondContact OG1-CG 3.36Å; V253-F256 HydrophobicContact CB-CB 4.12Å; V253-F256 HydrophobicContact CB-CD2 4.04Å; V253-F256 HydrophobicContact CG1-CB 4.11Å; V253-F256 HydrophobicContact CG1-CD2 4.12Å; V253-F256 HydrophobicContact CG2-CD2 4.46Å; L254-F256 VanDerWaalsContact C-N 3.32Å; L254-F256 PolarHBondContact O-N 2.66Å; F256-K258 PolarHBondContact O-N 3.22Å; F256-K258 VanDerWaalsContact O-N 3.1Å; F256-T259 PolarHBondContact O-N 3.48Å; F256-A260 HydrophobicContact CD2-CB 3.76Å; F256-A260 HydrophobicContact CE1-CB 4.36Å; F256-A260 HydrophobicContact CE2-CB 3.46Å; F256-A260 VanDerWaalsContact CE2-CB 3.46Å; F256-A260 HydrophobicContact CG-CB 4.33Å; F256-A260 HydrophobicContact CZ-CB 3.79Å; F256-A260 VanDerWaalsContact O-CB 3.22Å; F256-A260 WeakPolarHBondContact O-CB 3.09Å; F256-A260 PolarHBondContact O-N 3.28Å; F256-L264 HydrophobicContact CE2-CD2 4.13Å; F256-L264 HydrophobicContact CE2-CG 4.19Å; F256-L264 HydrophobicContact CZ-CG 4.3Å; F256-K265 HydrophobicContact CE1-CB 4.41Å; F256-K265 HydrophobicContact CE1-CG 4.4Å; F256-V268 HydrophobicContact CE1-CB 4.34Å; F256-V268 HydrophobicContact CE1-CG1 4.2Å; F256-V268 HydrophobicContact CZ-CB 3.98Å; F256-V268 HydrophobicContact CZ-CG1 4.16Å; F256-V268 HydrophobicContact CZ-CG2 3.88Å
257N93.9Very high95.7Very high33 Ų3339.4 Ų39.418%0.17621%0.212CC..Hα-helixtrans-58.6-27.6-178.6-166.936.7000113.6E244 D255 K265E244-N257 HydrophobicContact CG-CB 4.31Å; E244-N257 PolarHBondContact OE1-ND2 2.92Å; D255-N257 PolarHBondContact O-N 3.17Å; N257-K265 WeakPolarHBondContact OD1-CD 3.21Å; N257-K265 WeakPolarHBondContact OD1-CE 3.14Å; N257-K265 PolarHBondContact OD1-NZ 3.24Å
258K94Very high95.7Very high135 Ų13539.1 Ų39.159%0.58721%0.211SC*.Hα-helixtrans-98.2-22.8-177.5-59.2174.4-167.8145.50113D255 F256D255-K258 HydrophobicContact CB-CB 4.35Å; D255-K258 HydrophobicContact CB-CD 4.24Å; D255-K258 PolarHBondContact O-N 3.49Å; D255-K258 IonicContact OD1-NZ 3.41Å; D255-K258 PolarHBondContact OD1-NZ 3.16Å; F256-K258 PolarHBondContact O-N 3.22Å; F256-K258 VanDerWaalsContact O-N 3.1Å
259T94.7Very high95.7Very high74 Ų7440.6 Ų40.645%0.45422%0.219SC..Hα-helixtrans-110.2-27.4-168.158.50000113.4L254 D255 F256L254-T259 PolarHBondContact O-OG1 3.4Å; D255-T259 HydrophobicContact CB-CG2 4.25Å; D255-T259 WeakPolarHBondContact O-CG2 3.42Å; D255-T259 PolarHBondContact O-N 3.18Å; D255-T259 PolarHBondContact O-OG1 2.88Å; F256-T259 PolarHBondContact O-N 3.48Å
260A95.1Very high95.8Very high18 Ų1846.4 Ų46.415%0.14925%0.246CC..SBendtrans-68151.317600000112F256 L264 K265F256-A260 HydrophobicContact CD2-CB 3.76Å; F256-A260 HydrophobicContact CE1-CB 4.36Å; F256-A260 HydrophobicContact CE2-CB 3.46Å; F256-A260 VanDerWaalsContact CE2-CB 3.46Å; F256-A260 HydrophobicContact CG-CB 4.33Å; F256-A260 HydrophobicContact CZ-CB 3.79Å; F256-A260 VanDerWaalsContact O-CB 3.22Å; F256-A260 WeakPolarHBondContact O-CB 3.09Å; F256-A260 PolarHBondContact O-N 3.28Å; A260-L264 HydrophobicContact CB-CD2 4.16Å; A260-L264 HydrophobicContact CB-CG 4.45Å; A260-K265 HydrophobicContact CB-CB 4.49Å
261S95.6Very high95.9Very high55 Ų5547.2 Ų47.239%0.38525%0.25SS..  trans-66152.5169.5910000110E263 L264 K265S261-E263 VanDerWaalsContact CB-OE2 3.3Å; S261-E263 WeakPolarHBondContact CB-OE2 3.4Å; S261-E263 PolarHBondContact O-N 2.87Å; S261-E263 PolarHBondContact OG-N 3.02Å; S261-E263 PolarHBondContact OG-OE2 3.02Å; S261-L264 PolarHBondContact O-N 3.25Å; S261-L264 VanDerWaalsContact O-N 3.14Å; S261-L264 PolarHBondContact OG-N 3.39Å; S261-K265 PolarHBondContact O-N 3.32Å
262P95.9Very high96.1Very high85 Ų8547.1 Ų47.155%0.55225%0.25SC*.Hα-helixtrans-53-41.1176.3-27.135.8000112.5L264 K265 D266P262-L264 PolarHBondContact O-N 2.64Å; P262-K265 PolarHBondContact O-N 2.69Å; P262-D266 WeakPolarHBondContact O-CB 3.42Å; P262-D266 VanDerWaalsContact O-CG 3.26Å; P262-D266 PolarHBondContact O-N 2.86Å
263E96.8Very high96.3Very high140 Ų14051.9 Ų51.965%0.65427%0.267SS*.Hα-helixtrans-65.4-41.1-179.6-5576.5-166.100112.3S261 G267S261-E263 VanDerWaalsContact CB-OE2 3.3Å; S261-E263 WeakPolarHBondContact CB-OE2 3.4Å; S261-E263 PolarHBondContact O-N 2.87Å; S261-E263 PolarHBondContact OG-N 3.02Å; S261-E263 PolarHBondContact OG-OE2 3.02Å; E263-G267 PolarHBondContact O-N 3.4Å
264L96.4Very high96.5Very high21 Ų2155.6 Ų55.611%0.1128%0.284CS..Hα-helixtrans-67.3-44.9176.6178.360.2000110.8L11 Y192 E195 L196 F256 A260 S261 P262 G267 V268L11-L264 HydrophobicContact CD1-CD2 3.85Å; Y192-L264 HydrophobicContact CD1-CD1 3.57Å; Y192-L264 HydrophobicContact CE1-CD1 3.88Å; Y192-L264 HydrophobicContact CG-CD1 4.4Å; E195-L264 HydrophobicContact CB-CD1 3.87Å; E195-L264 HydrophobicContact CB-CD2 4.13Å; E195-L264 HydrophobicContact CG-CD1 4.18Å; L196-L264 HydrophobicContact CD2-CD2 4.25Å; F256-L264 HydrophobicContact CE2-CD2 4.13Å; F256-L264 HydrophobicContact CE2-CG 4.19Å; F256-L264 HydrophobicContact CZ-CG 4.3Å; A260-L264 HydrophobicContact CB-CD2 4.16Å; A260-L264 HydrophobicContact CB-CG 4.45Å; S261-L264 PolarHBondContact O-N 3.25Å; S261-L264 VanDerWaalsContact O-N 3.14Å; S261-L264 PolarHBondContact OG-N 3.39Å; P262-L264 PolarHBondContact O-N 2.64Å; L264-G267 PolarHBondContact O-N 3.41Å; L264-V268 HydrophobicContact CD1-CG2 4.05Å; L264-V268 HydrophobicContact CG-CG2 4.47Å; L264-V268 WeakPolarHBondContact O-CB 3.28Å; L264-V268 VanDerWaalsContact O-CG2 3.32Å; L264-V268 WeakPolarHBondContact O-CG2 3.44Å; L264-V268 PolarHBondContact O-N 3.25Å
265K96.8Very high96.6Very high47 Ų4759.6 Ų59.620%0.20431%0.311CS..Hα-helixtrans-59.6-50.8178.3177.5-178.3163.5-179.60111.3F256 N257 A260 S261 P262 G267 V268 L269F256-K265 HydrophobicContact CE1-CB 4.41Å; F256-K265 HydrophobicContact CE1-CG 4.4Å; N257-K265 WeakPolarHBondContact OD1-CD 3.21Å; N257-K265 WeakPolarHBondContact OD1-CE 3.14Å; N257-K265 PolarHBondContact OD1-NZ 3.24Å; A260-K265 HydrophobicContact CB-CB 4.49Å; S261-K265 PolarHBondContact O-N 3.32Å; P262-K265 PolarHBondContact O-N 2.69Å; K265-G267 VanDerWaalsContact C-N 3.32Å; K265-G267 PolarHBondContact O-N 3.48Å; K265-V268 PolarHBondContact O-N 2.88Å; K265-L269 HydrophobicContact CG-CD1 4.07Å; K265-L269 WeakPolarHBondContact O-CG 3.31Å; K265-L269 PolarHBondContact O-N 2.89Å
266D97.6Very high96.5Very high102 Ų10262.2 Ų62.255%0.54533%0.325SS..Hα-helixtrans-61.2-43.7180-72.1-12.1000110.9P262 L269 E270P262-D266 WeakPolarHBondContact O-CB 3.42Å; P262-D266 VanDerWaalsContact O-CG 3.26Å; P262-D266 PolarHBondContact O-N 2.86Å; D266-L269 PolarHBondContact O-N 3.03Å; D266-E270 WeakPolarHBondContact O-CB 3.44Å; D266-E270 PolarHBondContact O-N 2.93Å
267G98.1Very high96.6Very high9 Ų962.3 Ų62.39%0.09333%0.326CS..Hα-helixtrans-64.8-40.2177.900000113.7Y192 E263 L264 K265 L271Y192-G267 WeakPolarHBondContact OH-CA 3.22Å; Y192-G267 PolarHBondContact OH-O 3.29Å; E263-G267 PolarHBondContact O-N 3.4Å; L264-G267 PolarHBondContact O-N 3.41Å; K265-G267 VanDerWaalsContact C-N 3.32Å; K265-G267 PolarHBondContact O-N 3.48Å; G267-L271 WeakPolarHBondContact O-CB 3.47Å; G267-L271 PolarHBondContact O-N 3.04Å
268V98.1Very high96.8Very high0 Ų061.1 Ų61.10%032%0.32CS..Hα-helixtrans-64.6-48.2175.6165.80000110.2L188 Y192 L196 T251 F256 L264 K265 E270 L271 L272L188-V268 HydrophobicContact CD1-CG1 4.36Å; Y192-V268 HydrophobicContact CD1-CG2 4.37Å; Y192-V268 HydrophobicContact CD2-CG2 3.94Å; Y192-V268 HydrophobicContact CE1-CG2 4.45Å; Y192-V268 HydrophobicContact CE2-CG2 4Å; Y192-V268 HydrophobicContact CG-CG2 4.14Å; L196-V268 HydrophobicContact CD1-CG2 4.48Å; T251-V268 HydrophobicContact CG2-CG1 3.99Å; F256-V268 HydrophobicContact CE1-CB 4.34Å; F256-V268 HydrophobicContact CE1-CG1 4.2Å; F256-V268 HydrophobicContact CZ-CB 3.98Å; F256-V268 HydrophobicContact CZ-CG1 4.16Å; F256-V268 HydrophobicContact CZ-CG2 3.88Å; L264-V268 HydrophobicContact CD1-CG2 4.05Å; L264-V268 HydrophobicContact CG-CG2 4.47Å; L264-V268 WeakPolarHBondContact O-CB 3.28Å; L264-V268 VanDerWaalsContact O-CG2 3.32Å; L264-V268 WeakPolarHBondContact O-CG2 3.44Å; L264-V268 PolarHBondContact O-N 3.25Å; K265-V268 PolarHBondContact O-N 2.88Å; V268-E270 PolarHBondContact O-N 3.41Å; V268-L271 PolarHBondContact O-N 2.98Å; V268-L272 HydrophobicContact CG1-CD1 3.82Å; V268-L272 HydrophobicContact CG1-CG 4.18Å; V268-L272 WeakPolarHBondContact O-CB 3.34Å; V268-L272 VanDerWaalsContact O-CG 3.27Å; V268-L272 WeakPolarHBondContact O-CG 3.32Å; V268-L272 PolarHBondContact O-N 3.47Å
269L98.1Very high96.9Very high30 Ų3059.4 Ų59.416%0.15732%0.316CS..Hα-helixtrans-61.3-44.2178-70.5173.7000111.7C235 F236 L247 K265 D266 L271 L272 R273C235-L269 WeakPolarHBondContact O-CD2 3.35Å; F236-L269 HydrophobicContact CD1-CD2 4.17Å; F236-L269 HydrophobicContact CE1-CB 4.3Å; F236-L269 HydrophobicContact CE1-CD2 4.11Å; F236-L269 WeakPolarHBondContact CE1-O 3.25Å; L247-L269 HydrophobicContact CD1-CD2 4.28Å; L247-L269 HydrophobicContact CD2-CD2 3.81Å; K265-L269 HydrophobicContact CG-CD1 4.07Å; K265-L269 WeakPolarHBondContact O-CG 3.31Å; K265-L269 PolarHBondContact O-N 2.89Å; D266-L269 PolarHBondContact O-N 3.03Å; L269-L271 VanDerWaalsContact C-N 3.33Å; L269-L271 PolarHBondContact O-N 3.31Å; L269-L272 PolarHBondContact O-N 2.95Å; L269-R273 PolarHBondContact O-N 2.91Å; L269-R273 VanDerWaalsContact O-N 3.12Å
270E98.1Very high97Very high135 Ų13561.2 Ų61.263%0.63132%0.319SS*.Hα-helixtrans-57.1-47174.9-174.6-172.2179.400111.2D266 V268 R273 H274D266-E270 WeakPolarHBondContact O-CB 3.44Å; D266-E270 PolarHBondContact O-N 2.93Å; V268-E270 PolarHBondContact O-N 3.41Å; E270-R273 PolarHBondContact O-N 3.19Å; E270-H274 PolarHBondContact O-N 2.91Å; E270-H274 VanDerWaalsContact O-N 3.12Å
271L98.2Very high96.8Very high18 Ų1862.6 Ų62.69%0.09433%0.328CS..Hα-helixtrans-65.8-43.3179-176.771.5000112.2L188 K191 Y192 G267 V268 L269 R273 H274 C277L188-L271 HydrophobicContact CB-CD2 4.3Å; L188-L271 HydrophobicContact CD1-CD2 4.02Å; K191-L271 HydrophobicContact CB-CD2 4Å; K191-L271 HydrophobicContact CD-CD1 3.95Å; K191-L271 HydrophobicContact CD-CD2 3.9Å; K191-L271 HydrophobicContact CD-CG 4.32Å; Y192-L271 HydrophobicContact CD2-CD2 3.9Å; Y192-L271 HydrophobicContact CE2-CB 4.03Å; Y192-L271 HydrophobicContact CE2-CD2 3.72Å; Y192-L271 HydrophobicContact CE2-CG 4.48Å; G267-L271 WeakPolarHBondContact O-CB 3.47Å; G267-L271 PolarHBondContact O-N 3.04Å; V268-L271 PolarHBondContact O-N 2.98Å; L269-L271 VanDerWaalsContact C-N 3.33Å; L269-L271 PolarHBondContact O-N 3.31Å; L271-R273 PolarHBondContact O-N 3.24Å; L271-H274 WeakPolarHBondContact O-CB 3.38Å; L271-H274 PolarHBondContact O-N 2.96Å; L271-C277 VanDerWaalsContact O-CB 3.31Å; L271-C277 WeakPolarHBondContact O-CB 3.32Å; L271-C277 PolarHBondContact O-SG 3.1Å
272L98.1Very high96.7Very high0 Ų067.8 Ų67.80%035%0.345CS..Hα-helixtrans-59.8-31.8179.7-74.5175.1000111.5L188 I232 F236 L247 L250 V268 L269 S278 F287L188-L272 HydrophobicContact CD2-CD2 4.26Å; I232-L272 HydrophobicContact CD1-CB 4.01Å; F236-L272 HydrophobicContact CZ-CB 4.06Å; L247-L272 HydrophobicContact CD2-CD1 3.82Å; L250-L272 HydrophobicContact CD1-CD1 3.91Å; L250-L272 HydrophobicContact CD1-CD2 4.13Å; L250-L272 HydrophobicContact CD2-CD2 4.2Å; V268-L272 HydrophobicContact CG1-CD1 3.82Å; V268-L272 HydrophobicContact CG1-CG 4.18Å; V268-L272 WeakPolarHBondContact O-CB 3.34Å; V268-L272 VanDerWaalsContact O-CG 3.27Å; V268-L272 WeakPolarHBondContact O-CG 3.32Å; V268-L272 PolarHBondContact O-N 3.47Å; L269-L272 PolarHBondContact O-N 2.95Å; L272-S278 WeakPolarHBondContact O-CB 3.44Å; L272-S278 PolarHBondContact O-OG 2.86Å; L272-F287 HydrophobicContact CD2-CD2 4.15Å; L272-F287 HydrophobicContact CD2-CE2 3.76Å
273R97.4Very high96.6Very high121 Ų12167.2 Ų67.246%0.45736%0.355SS..Hα-helixtrans-87-11.5177.2-156.3167.4178.5164.84.8113.9F236 L269 E270 L271 E280F236-R273 HydrophobicContact CE1-CB 3.76Å; F236-R273 HydrophobicContact CE1-CG 4.23Å; F236-R273 HydrophobicContact CZ-CB 3.76Å; F236-R273 HydrophobicContact CZ-CG 4.17Å; L269-R273 PolarHBondContact O-N 2.91Å; L269-R273 VanDerWaalsContact O-N 3.12Å; E270-R273 PolarHBondContact O-N 3.19Å; L271-R273 PolarHBondContact O-N 3.24Å; R273-E280 IonicContact CZ-OE1 2.69Å; R273-E280 IonicContact NE-OE1 3.32Å; R273-E280 PolarHBondContact NE-OE1 3.43Å; R273-E280 IonicContact NH2-OE1 2.64Å; R273-E280 PolarHBondContact NH2-OE1 2.79Å; R273-E280 IonicContact NH2-OE2 3.06Å
274H97.8Very high96.6Very high80 Ų8065.8 Ų65.837%0.3734%0.344SS..SBendtrans-64.3144.3-177.8-168.2-95.3000111.2E270 L271 D276 C277 S278E270-H274 PolarHBondContact O-N 2.91Å; E270-H274 VanDerWaalsContact O-N 3.12Å; L271-H274 WeakPolarHBondContact O-CB 3.38Å; L271-H274 PolarHBondContact O-N 2.96Å; H274-D276 VanDerWaalsContact CE1-CG 3.47Å; H274-D276 IonicContact CE1-OD1 3.34Å; H274-D276 IonicContact CE1-OD2 3.22Å; H274-D276 PolarHBondContact CE1-OD2 3.26Å; H274-D276 WeakPolarHBondContact ND1-CB 3.38Å; H274-D276 PolarHBondContact ND1-N 2.66Å; H274-D276 IonicContact ND1-OD2 3.24Å; H274-D276 PolarHBondContact ND1-OD2 3.45Å; H274-D276 PolarHBondContact O-N 2.86Å; H274-C277 PolarHBondContact O-N 2.95Å; H274-S278 PolarHBondContact O-N 3.33Å
275P96.2Very high96.7Very high109 Ų10965 Ų6571%0.70834%0.34SS*.THydrogen-bonded Turntrans-56.9-20.3179.3-28.736.5000115.8C277 S278P275-C277 VanDerWaalsContact C-N 3.3Å; P275-S278 WeakPolarHBondContact CA-O 3.26Å
276D94.1Very high96.8Very high95 Ų9563.5 Ų63.551%0.50833%0.334SS..THydrogen-bonded Turntrans-75.4-19.9175.1-67.1-18.1000113.1K187 H274K187-D276 HydrophobicContact CG-CB 4.41Å; H274-D276 VanDerWaalsContact CE1-CG 3.47Å; H274-D276 IonicContact CE1-OD1 3.34Å; H274-D276 IonicContact CE1-OD2 3.22Å; H274-D276 PolarHBondContact CE1-OD2 3.26Å; H274-D276 WeakPolarHBondContact ND1-CB 3.38Å; H274-D276 PolarHBondContact ND1-N 2.66Å; H274-D276 IonicContact ND1-OD2 3.24Å; H274-D276 PolarHBondContact ND1-OD2 3.45Å; H274-D276 PolarHBondContact O-N 2.86Å
277C97.2Very high96.8Very high1 Ų158.7 Ų58.71%0.00731%0.308CS..THydrogen-bonded Turntrans-110.3-38.1-177.2-64.70000112.3L271 H274 P275 F287 N288L271-C277 VanDerWaalsContact O-CB 3.31Å; L271-C277 WeakPolarHBondContact O-CB 3.32Å; L271-C277 PolarHBondContact O-SG 3.1Å; H274-C277 PolarHBondContact O-N 2.95Å; P275-C277 VanDerWaalsContact C-N 3.3Å; C277-F287 HydrophobicContact CB-CD2 4.29Å; C277-F287 HydrophobicContact CB-CE2 4.09Å; C277-F287 WeakPolarHBondContact O-CD2 3.37Å; C277-N288 VanDerWaalsContact O-CB 3.26Å; C277-N288 WeakPolarHBondContact O-CB 3.38Å; C277-N288 PolarHBondContact O-N 3.44Å
278S98.3Very high96.8Very high8 Ų860.2 Ų60.26%0.05631%0.314CS..EExtended strand (participates in β ladder)trans-140.4159.4-173-61.70000111.9L272 H274 P275 I286 F287L272-S278 WeakPolarHBondContact O-CB 3.44Å; L272-S278 PolarHBondContact O-OG 2.86Å; H274-S278 PolarHBondContact O-N 3.33Å; P275-S278 WeakPolarHBondContact CA-O 3.26Å; S278-I286 CarbonylContact C-O 3.43Å; S278-I286 WeakPolarHBondContact CA-O 3.34Å; S278-I286 WeakPolarHBondContact CB-O 3.44Å; S278-F287 VanDerWaalsContact OG-CA 3.31Å; S278-F287 WeakPolarHBondContact OG-CA 3.42Å
279M97.4Very high96.8Very high100 Ų10060.2 Ų60.249%0.49331%0.314SS..EExtended strand (participates in β ladder)trans-111.9142.4165.664.4-179.4-64.800110.3I286M279-I286 HydrophobicContact CG-CB 3.82Å; M279-I286 HydrophobicContact CG-CG2 4.41Å; M279-I286 PolarHBondContact N-O 3.19Å; M279-I286 PolarHBondContact O-N 3.17Å
280E95.5Very high96.9Very high111 Ų11161.1 Ų61.152%0.51932%0.319SS..EExtended strand (participates in β ladder)trans-93.2129168.6-67.1-164.6179.800110.2R273 R284 V285R273-E280 IonicContact CZ-OE1 2.69Å; R273-E280 IonicContact NE-OE1 3.32Å; R273-E280 PolarHBondContact NE-OE1 3.43Å; R273-E280 IonicContact NH2-OE1 2.64Å; R273-E280 PolarHBondContact NH2-OE1 2.79Å; R273-E280 IonicContact NH2-OE2 3.06Å; E280-R284 WeakPolarHBondContact CA-O 3.31Å; E280-V285 HydrophobicContact CG-CG2 4.43Å
281S91.8Very high96.9Very high48 Ų4854.7 Ų54.734%0.33629%0.289SS..EExtended strand (participates in β ladder)trans-148.9126.7177.1-174.10000110.2G283 R284S281-G283 PolarHBondContact O-N 2.88Å; S281-R284 PolarHBondContact N-O 3.4Å; S281-R284 WeakPolarHBondContact O-CB 3.33Å; S281-R284 PolarHBondContact O-N 3.05Å
282E92.9Very high96.9Very high163 Ų16353.8 Ų53.876%0.76229%0.285SS*.THydrogen-bonded Turntrans54.536.7175.8-55.3175.9154.700113.8R284E282-R284 VanDerWaalsContact C-N 3.25Å; E282-R284 PolarHBondContact O-N 2.94Å; E282-R284 IonicContact OE2-CZ 2.84Å; E282-R284 IonicContact OE2-NH2 3.61Å; E282-R284 PolarHBondContact OE2-NH2 3.49Å
283G93.5Very high96.9Very high73 Ų7353.8 Ų53.875%0.75329%0.285SS*.THydrogen-bonded Turntrans77.36-178.500000114.8S281S281-G283 PolarHBondContact O-N 2.88Å
284R97.2Very high97Very high110 Ų11048 Ų4842%0.41526%0.263SS..EExtended strand (participates in β ladder)trans-102.9149.3173.9-64178.8-77.4171.6-5.9111.5T233 E280 S281 E282 I286T233-R284 VanDerWaalsContact OG1-CA 3.26Å; T233-R284 WeakPolarHBondContact OG1-CA 3.19Å; E280-R284 WeakPolarHBondContact CA-O 3.31Å; S281-R284 PolarHBondContact N-O 3.4Å; S281-R284 WeakPolarHBondContact O-CB 3.33Å; S281-R284 PolarHBondContact O-N 3.05Å; E282-R284 VanDerWaalsContact C-N 3.25Å; E282-R284 PolarHBondContact O-N 2.94Å; E282-R284 IonicContact OE2-CZ 2.84Å; E282-R284 IonicContact OE2-NH2 3.61Å; E282-R284 PolarHBondContact OE2-NH2 3.49Å; R284-I286 HydrophobicContact CB-CD1 3.82Å; R284-I286 HydrophobicContact CB-CG1 4.37Å
285V98.3Very high97Very high6 Ų644.3 Ų44.34%0.03625%0.246CC..EExtended strand (participates in β ladder)trans-105.1108.2171.1-172.60000108.4I232 T233 F236 E280I232-V285 HydrophobicContact CD1-CG1 3.91Å; I232-V285 HydrophobicContact CG1-CB 4.07Å; I232-V285 HydrophobicContact CG1-CG1 3.79Å; I232-V285 WeakPolarHBondContact CG1-O 3.02Å; I232-V285 PolarHBondContact N-O 2.83Å; T233-V285 PolarHBondContact OG1-N 3.39Å; F236-V285 HydrophobicContact CD2-CB 4.28Å; F236-V285 HydrophobicContact CD2-CG2 3.89Å; F236-V285 HydrophobicContact CE2-CB 3.8Å; F236-V285 HydrophobicContact CE2-CG1 3.7Å; F236-V285 HydrophobicContact CE2-CG2 3.79Å; F236-V285 HydrophobicContact CZ-CG1 4.2Å; E280-V285 HydrophobicContact CG-CG2 4.43Å
286I98.5Very high97.1Very high15 Ų1539.1 Ų39.18%0.07721%0.212CC..EExtended strand (participates in β ladder)trans-103.6105.5-175-52-56.6000109.1Q229 D231 S278 M279 R284Q229-I286 HydrophobicContact CB-CG2 3.62Å; Q229-I286 HydrophobicContact CG-CG2 3.79Å; D231-I286 HydrophobicContact CB-CD1 4.2Å; S278-I286 CarbonylContact C-O 3.43Å; S278-I286 WeakPolarHBondContact CA-O 3.34Å; S278-I286 WeakPolarHBondContact CB-O 3.44Å; M279-I286 HydrophobicContact CG-CB 3.82Å; M279-I286 HydrophobicContact CG-CG2 4.41Å; M279-I286 PolarHBondContact N-O 3.19Å; M279-I286 PolarHBondContact O-N 3.17Å; R284-I286 HydrophobicContact CB-CD1 3.82Å; R284-I286 HydrophobicContact CB-CG1 4.37Å
287F98.6Very high97.1Very high0 Ų037.4 Ų37.40%020%0.203CC..EExtended strand (participates in β ladder)trans-72.7137.8177.9-175.9-104000111.6G184 W185 Q229 M230 I232 L250 L272 C277 S278 N289G184-F287 VanDerWaalsContact CA-CZ 3.49Å; W185-F287 AromaticContact CD1-CE1 3.76Å; W185-F287 AromaticContact CD2-CE1 3.9Å; W185-F287 HydrophobicContact CD2-CE1 3.9Å; W185-F287 HydrophobicContact CD2-CZ 4.19Å; W185-F287 AromaticContact CE2-CE1 3.67Å; W185-F287 AromaticContact CG-CE1 3.97Å; W185-F287 HydrophobicContact CG-CE1 3.97Å; W185-F287 HydrophobicContact CG-CZ 4.2Å; W185-F287 HydrophobicContact CZ2-CE1 4.25Å; W185-F287 VanDerWaalsContact N-CZ 3.33Å; W185-F287 AromaticContact NE1-CE1 3.59Å; Q229-F287 WeakPolarHBondContact CA-O 3.48Å; M230-F287 HydrophobicContact CB-CB 4.26Å; M230-F287 HydrophobicContact CB-CD1 4.4Å; M230-F287 PolarHBondContact N-O 3.05Å; M230-F287 WeakPolarHBondContact O-CB 3.19Å; M230-F287 PolarHBondContact O-N 2.87Å; M230-F287 HydrophobicContact SD-CD1 4.38Å; I232-F287 HydrophobicContact CD1-CB 3.94Å; I232-F287 HydrophobicContact CD1-CD2 4.24Å; I232-F287 HydrophobicContact CD1-CG 4.47Å; I232-F287 HydrophobicContact CG1-CB 3.97Å; I232-F287 HydrophobicContact CG2-CB 3.81Å; I232-F287 HydrophobicContact CG2-CG 4.49Å; L250-F287 HydrophobicContact CD2-CD1 4.32Å; L250-F287 HydrophobicContact CD2-CE1 4.01Å; L250-F287 HydrophobicContact CD2-CE2 4.45Å; L250-F287 HydrophobicContact CD2-CZ 4.05Å; L272-F287 HydrophobicContact CD2-CD2 4.15Å; L272-F287 HydrophobicContact CD2-CE2 3.76Å; C277-F287 HydrophobicContact CB-CD2 4.29Å; C277-F287 HydrophobicContact CB-CE2 4.09Å; C277-F287 WeakPolarHBondContact O-CD2 3.37Å; S278-F287 VanDerWaalsContact OG-CA 3.31Å; S278-F287 WeakPolarHBondContact OG-CA 3.42Å; F287-N289 HydrophobicContact CD1-CB 4.49Å; F287-N289 PolarHBondContact O-N 3.4Å; F287-N289 VanDerWaalsContact O-N 3.08Å
288N98.4Very high96.7Very high41 Ų4140.9 Ų40.922%0.21922%0.218CC..EExtended strand (participates in β ladder)trans-73.396.5174.8175.4-4.5000109.4E182 S183 G184 C277 N290E182-N288 PolarHBondContact O-ND2 3.36Å; E182-N288 VanDerWaalsContact O-ND2 3.12Å; S183-N288 WeakPolarHBondContact CB-O 3.44Å; G184-N288 PolarHBondContact N-O 2.89Å; C277-N288 VanDerWaalsContact O-CB 3.26Å; C277-N288 WeakPolarHBondContact O-CB 3.38Å; C277-N288 PolarHBondContact O-N 3.44Å; N288-N290 VanDerWaalsContact C-N 3.33Å; N288-N290 WeakPolarHBondContact OD1-CB 3.33Å; N288-N290 PolarHBondContact OD1-N 2.95Å; N288-N290 VanDerWaalsContact OD1-N 3.09Å; N288-N290 PolarHBondContact OD1-ND2 3.24Å; N288-N290 PolarHBondContact OD1-OD1 3.1Å
289N98.3Very high95.8Very high0 Ų044 Ų440%024%0.238CC..  trans-95.422.4178.2-173.148000111.9E34 W185 S228 M230 F287 L291E34-N289 PolarHBondContact OE2-ND2 2.81Å; W185-N289 PolarHBondContact NE1-OD1 3.49Å; S228-N289 VanDerWaalsContact CB-O 3.27Å; S228-N289 WeakPolarHBondContact CB-O 3.49Å; S228-N289 CarbonylContact O-C 3.55Å; S228-N289 WeakPolarHBondContact O-CA 3.31Å; S228-N289 PolarHBondContact O-N 2.97Å; S228-N289 PolarHBondContact OG-ND2 3.38Å; M230-N289 HydrophobicContact CB-CB 4.01Å; F287-N289 HydrophobicContact CD1-CB 4.49Å; F287-N289 PolarHBondContact O-N 3.4Å; F287-N289 VanDerWaalsContact O-N 3.08Å; N289-L291 WeakPolarHBondContact O-CD2 3.32Å; N289-L291 PolarHBondContact O-N 3.46Å
290N98.4Very high94.1Very high49 Ų4950.7 Ų50.726%0.26228%0.275SS..  trans-51.1133.2-175.5-74.3-7.6000111.8S180 S183 L226 P227 S228 N288S180-N290 VanDerWaalsContact CB-O 3.3Å; S180-N290 WeakPolarHBondContact CB-O 3.34Å; S180-N290 PolarHBondContact N-O 3.14Å; S183-N290 WeakPolarHBondContact CB-O 2.95Å; L226-N290 WeakPolarHBondContact O-CA 3.46Å; P227-N290 VanDerWaalsContact CA-OD1 3.27Å; P227-N290 WeakPolarHBondContact CA-OD1 3.43Å; S228-N290 PolarHBondContact N-OD1 3.23Å; S228-N290 PolarHBondContact O-N 2.91Å; S228-N290 PolarHBondContact O-OD1 3.2Å; N288-N290 VanDerWaalsContact C-N 3.33Å; N288-N290 WeakPolarHBondContact OD1-CB 3.33Å; N288-N290 PolarHBondContact OD1-N 2.95Å; N288-N290 VanDerWaalsContact OD1-N 3.09Å; N288-N290 PolarHBondContact OD1-ND2 3.24Å; N288-N290 PolarHBondContact OD1-OD1 3.1Å
291L98.6Very high94Very high0 Ų047.7 Ų47.70%026%0.263CS..EExtended strand (participates in β ladder)trans-101.6165.8174.4-49.9-176.1000110.2C37 M38 Q149 I177 L178 V179 L226 N289C37-L291 VanDerWaalsContact SG-CD1 3.55Å; M38-L291 HydrophobicContact CE-CD1 3.56Å; M38-L291 HydrophobicContact CG-CD1 4.1Å; Q149-L291 VanDerWaalsContact NE2-CD2 3.31Å; I177-L291 HydrophobicContact CG2-CB 4.34Å; I177-L291 HydrophobicContact CG2-CD1 4.08Å; L178-L291 CarbonylContact O-C 3.59Å; L178-L291 WeakPolarHBondContact O-CA 3.48Å; V179-L291 HydrophobicContact CB-CD2 4.42Å; V179-L291 HydrophobicContact CG1-CD2 3.89Å; L226-L291 HydrophobicContact CB-CB 3.88Å; L226-L291 HydrophobicContact CD2-CB 4.4Å; L226-L291 PolarHBondContact N-O 3.47Å; L226-L291 PolarHBondContact O-N 2.93Å; N289-L291 WeakPolarHBondContact O-CD2 3.32Å; N289-L291 PolarHBondContact O-N 3.46Å
292G98.4Very high94.1Very high0 Ų047.6 Ų47.60%026%0.26CS..EExtended strand (participates in β ladder)trans-131.8144.6167.900000110.2I177 L178 T207 F224I177-G292 WeakPolarHBondContact CA-O 3.45Å; L178-G292 PolarHBondContact N-O 3.47Å; L178-G292 VanDerWaalsContact N-O 3.14Å; L178-G292 PolarHBondContact O-N 2.77Å; T207-G292 WeakPolarHBondContact CG2-O 3.48Å; F224-G292 CarbonylContact O-C 3.55Å; F224-G292 WeakPolarHBondContact O-CA 3.46Å
293V98.7Very high94.2Very high0 Ų041.2 Ų41.20%023%0.232CC..EExtended strand (participates in β ladder)trans-102.8138.7169.2177.20000108.5F41 L175 I176 I177 S223 F224 L226 V295F41-V293 HydrophobicContact CD1-CG2 3.98Å; F41-V293 HydrophobicContact CD2-CG2 3.89Å; F41-V293 HydrophobicContact CE1-CG1 4.08Å; F41-V293 HydrophobicContact CE1-CG2 4Å; F41-V293 HydrophobicContact CE2-CB 4.2Å; F41-V293 HydrophobicContact CE2-CG1 3.99Å; F41-V293 HydrophobicContact CE2-CG2 3.9Å; F41-V293 HydrophobicContact CG-CG2 3.94Å; F41-V293 HydrophobicContact CZ-CB 4.25Å; F41-V293 HydrophobicContact CZ-CG1 3.61Å; F41-V293 HydrophobicContact CZ-CG2 3.98Å; L175-V293 HydrophobicContact CD1-CG1 3.34Å; L175-V293 HydrophobicContact CG-CG1 4.43Å; I176-V293 CarbonylContact O-C 3.58Å; I176-V293 WeakPolarHBondContact O-CA 3.46Å; I177-V293 HydrophobicContact CD1-CG2 3.95Å; I177-V293 HydrophobicContact CG1-CG2 3.9Å; S223-V293 CarbonylContact C-O 3.55Å; S223-V293 WeakPolarHBondContact CA-O 3.42Å; S223-V293 WeakPolarHBondContact CB-O 3.38Å; F224-V293 HydrophobicContact CB-CB 4.15Å; F224-V293 HydrophobicContact CD2-CB 4.13Å; F224-V293 HydrophobicContact CD2-CG1 4.07Å; F224-V293 PolarHBondContact N-O 3.34Å; F224-V293 PolarHBondContact O-N 3.42Å; L226-V293 HydrophobicContact CD1-CB 4.35Å; L226-V293 HydrophobicContact CD1-CG2 3.44Å; L226-V293 VanDerWaalsContact CD1-CG2 3.44Å; L226-V293 HydrophobicContact CD2-CG2 3.84Å; L226-V293 HydrophobicContact CG-CG2 4.32Å; V293-V295 HydrophobicContact CG1-CG2 4.07Å
294I98.8Very high94.2Very high0 Ų039.4 Ų39.40%020%0.201CC..EExtended strand (participates in β ladder)trans-123.5128.6167.9-57.5173.7000107.8I176 T207 I210 K211 L214 Y221 H222 I296I176-I294 HydrophobicContact CB-CB 4.34Å; I176-I294 PolarHBondContact N-O 2.89Å; I176-I294 PolarHBondContact O-N 3.09Å; T207-I294 HydrophobicContact CG2-CD1 4.12Å; T207-I294 HydrophobicContact CG2-CG1 4.27Å; I210-I294 HydrophobicContact CB-CD1 3.68Å; I210-I294 HydrophobicContact CG2-CD1 3.53Å; K211-I294 HydrophobicContact CG-CD1 3.89Å; K211-I294 HydrophobicContact CG-CG1 4.4Å; L214-I294 HydrophobicContact CD1-CG2 3.83Å; Y221-I294 HydrophobicContact CD2-CG2 4.08Å; Y221-I294 HydrophobicContact CG-CG2 4.1Å; H222-I294 CarbonylContact O-C 3.56Å; H222-I294 WeakPolarHBondContact O-CA 3.41Å; I294-I296 HydrophobicContact CG2-CD1 4.36Å; I294-I296 HydrophobicContact CG2-CG1 3.91Å
295V98.6Very high94.1Very high2 Ų234.9 Ų34.91%0.01219%0.188CC..EExtended strand (participates in β ladder)trans-114.4122.7174.4-173.50000108.2I49 K173 L174 L175 Y221 H222 F224 V293I49-V295 HydrophobicContact CD1-CG2 3.74Å; I49-V295 HydrophobicContact CG1-CG2 4.44Å; I49-V295 HydrophobicContact CG2-CG1 3.92Å; K173-V295 HydrophobicContact CB-CG1 4.27Å; K173-V295 HydrophobicContact CD-CG1 4.25Å; L174-V295 CarbonylContact O-C 3.58Å; L174-V295 WeakPolarHBondContact O-CA 3.37Å; L175-V295 HydrophobicContact CD1-CG2 3.74Å; Y221-V295 CarbonylContact C-O 3.53Å; Y221-V295 VanDerWaalsContact CA-O 3.24Å; Y221-V295 WeakPolarHBondContact CA-O 3.44Å; Y221-V295 WeakPolarHBondContact CB-O 3.48Å; H222-V295 HydrophobicContact CB-CB 4.27Å; H222-V295 PolarHBondContact N-O 3.35Å; H222-V295 PolarHBondContact O-N 3Å; F224-V295 HydrophobicContact CE2-CG2 4.05Å; V293-V295 HydrophobicContact CG1-CG2 4.07Å
296I97.9Very high93.8Very high0 Ų036.9 Ų36.90%020%0.198CC..EExtended strand (participates in β ladder)trans-115133.8-178.6-53.8171.9000108.5I161 Q165 L174 I176 L214 V219 I294I161-I296 HydrophobicContact CG2-CD1 3.6Å; Q165-I296 HydrophobicContact CG-CG2 3.97Å; L174-I296 HydrophobicContact CB-CB 4.27Å; L174-I296 HydrophobicContact CD2-CD1 4.17Å; L174-I296 PolarHBondContact N-O 3.03Å; L174-I296 PolarHBondContact O-N 3.31Å; I176-I296 HydrophobicContact CD1-CD1 3.76Å; L214-I296 HydrophobicContact CD1-CD1 3.78Å; L214-I296 HydrophobicContact CD1-CG1 4.09Å; L214-I296 HydrophobicContact CD2-CD1 3.84Å; L214-I296 HydrophobicContact CG-CD1 4.47Å; V219-I296 HydrophobicContact CG1-CG2 3.89Å; I294-I296 HydrophobicContact CG2-CD1 4.36Å; I294-I296 HydrophobicContact CG2-CG1 3.91Å
297D94.3Very high93.4Very high58 Ų5838.4 Ų38.431%0.3121%0.206SC..EExtended strand (participates in β ladder)trans-90.4162.1175.8-70.5-8.5000111.2Q165 K173Q165-D297 PolarHBondContact NE2-O 3.3Å; K173-D297 WeakPolarHBondContact CD-OD1 3.49Å; K173-D297 WeakPolarHBondContact CE-OD1 3.39Å; K173-D297 IonicContact NZ-OD1 3.13Å; K173-D297 PolarHBondContact NZ-OD1 3.26Å; K173-D297 IonicContact NZ-OD2 3.63Å; K173-D297 PolarHBondContact NZ-OD2 3.38Å; K173-D297 VanDerWaalsContact NZ-OD2 3.13Å
298K88Confident93Very high75 Ų7541.4 Ų41.433%0.32622%0.222SC..PPolyproline II helixtrans-56.5132.1165.6-177.9170.9-176.2151.30109.9L168 D169L168-K298 HydrophobicContact CB-CB 4.01Å; L168-K298 HydrophobicContact CB-CG 4.42Å; L168-K298 WeakPolarHBondContact O-CD 3.22Å; L168-K298 WeakPolarHBondContact O-CE 3.48Å; L168-K298 PolarHBondContact O-NZ 2.91Å; D169-K298 VanDerWaalsContact C-CD 3.46Å; D169-K298 WeakPolarHBondContact O-CD 3.3Å
299P79.3Confident92.6Very high74 Ų7441.4 Ų41.448%0.48122%0.222SC..PPolyproline II helixtrans-58.1138.7171.6-20.530.8000110.6Q165Q165-P299 HydrophobicContact CG-CG 4.24Å
300N62Low92.1Very high239 Ų23945.2 Ų45.2100%1.27824%0.243SC*.  trans-61.50172.7-70.4-32.8000112.1

Retrieved 300 of 300 residues in 655.6 ms (Link to these results)

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