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Rho-related GTP-binding protein RhoB

Mediates apoptosis in neoplastically transformed cells after DNA damage. Not essential for development but affects cell adhesion and growth factor signaling in transformed cells. Plays a negative role in tumorigenesis as deletion causes tumor formation. Involved in intracellular protein trafficking of a number of proteins. Targets PKN1 to endosomes and is involved in trafficking of the EGF receptor from late endosomes to lysosomes. Also required for stability and nuclear trafficking of AKT1/AKT which promotes endothelial cell survival during vascular development. Serves as a microtubule-dependent signal that is required for the myosin contractile ring formation during cell cycle cytokinesis. Required for genotoxic stress-induced cell death in breast cancer cells.

AlphaFold DB , UniProt , Accession P62746, Species MOUSE (Mus musculus, Mouse), Gene Rhob, Length 196 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
1M50.5Low88.2Confident242 Ų24263 Ų63100%1.19234%0.341SS*.  01410-99.2-178.3-10300107.2A3M1-A3 PolarHBondContact O-N 3.46Å
2A59.9Low89.1Confident100 Ų10057.8 Ų57.883%0.82631%0.313SS*.PPolyproline II helixtrans-62.2129.4171.500000108.5
3A76.4Confident89.8Confident61 Ų6154.9 Ų54.950%0.50430%0.297SS..PPolyproline II helixtrans-59.2140172.500000108.7M1 R5M1-A3 PolarHBondContact O-N 3.46Å; A3-R5 PolarHBondContact O-N 3.48Å; A3-R5 VanDerWaalsContact O-N 3.17Å
4I94.7Very high90.2Very high71 Ų7153.4 Ų53.436%0.36430%0.301SS..EExtended strand (participates in β ladder)trans-66.1118.8171.5-62.9170.1000105.7K6 K51 V53 E54 L179I4-K6 HydrophobicContact CG2-CG 4.29Å; I4-K51 HydrophobicContact CD1-CB 4.29Å; I4-K51 HydrophobicContact CD1-CD 4.27Å; I4-K51 HydrophobicContact CD1-CG 4.48Å; I4-V53 HydrophobicContact CB-CG2 4.35Å; I4-V53 HydrophobicContact CG2-CG2 4.43Å; I4-V53 CarbonylContact O-C 3.4Å; I4-V53 VanDerWaalsContact O-CA 3.23Å; I4-V53 WeakPolarHBondContact O-CA 3.39Å; I4-V53 WeakPolarHBondContact O-CG1 3.27Å; I4-E54 PolarHBondContact O-N 2.89Å; I4-L179 HydrophobicContact CD1-CD2 4.4Å; I4-L179 HydrophobicContact CG2-CD2 3.72Å
5R96.9Very high90.6Very high154 Ų15453.3 Ų53.358%0.58131%0.31SS*.EExtended strand (participates in β ladder)trans-100.2135.6177.4-167.7172.9-175.3173.33.3110.1A3 E54A3-R5 PolarHBondContact O-N 3.48Å; A3-R5 VanDerWaalsContact O-N 3.17Å; R5-E54 WeakPolarHBondContact CA-O 3.38Å; R5-E54 VanDerWaalsContact CD-OE1 3.22Å; R5-E54 WeakPolarHBondContact CD-OE1 3.31Å; R5-E54 HydrophobicContact CG-CB 4.46Å; R5-E54 IonicContact CZ-OE1 3.34Å; R5-E54 IonicContact NE-OE1 3.68Å; R5-E54 PolarHBondContact NE-OE1 3.28Å; R5-E54 IonicContact NH1-OE1 3.85Å; R5-E54 IonicContact NH2-OE1 3.86Å
6K98Very high91.1Very high39 Ų3950 Ų5017%0.1729%0.29CS..EExtended strand (participates in β ladder)trans-133.4135.3177.2-69.3-64.4176.7170.20111.7I4 V53 E54 L55 A56 D78 A178 L179I4-K6 HydrophobicContact CG2-CG 4.29Å; K6-V53 HydrophobicContact CB-CG1 3.95Å; K6-V53 HydrophobicContact CG-CG1 3.84Å; K6-E54 PolarHBondContact N-O 2.9Å; K6-L55 HydrophobicContact CB-CD2 3.98Å; K6-L55 CarbonylContact O-C 3.55Å; K6-L55 WeakPolarHBondContact O-CA 3.28Å; K6-A56 PolarHBondContact O-N 2.88Å; K6-D78 WeakPolarHBondContact CA-OD2 3.34Å; K6-D78 HydrophobicContact CB-CB 4.41Å; K6-D78 HydrophobicContact CD-CB 3.77Å; K6-D78 WeakPolarHBondContact CD-OD1 3.34Å; K6-D78 WeakPolarHBondContact CD-OD2 3.39Å; K6-D78 IonicContact NZ-OD1 2.88Å; K6-D78 PolarHBondContact NZ-OD1 2.93Å; K6-A178 HydrophobicContact CB-CB 4.23Å; K6-A178 HydrophobicContact CD-CB 4.06Å; K6-A178 WeakPolarHBondContact CE-O 3.28Å; K6-A178 HydrophobicContact CG-CB 4.11Å; K6-A178 PolarHBondContact NZ-O 3.37Å; K6-L179 HydrophobicContact CG-CD2 4.47Å
7K98.3Very high91.5Very high26 Ų2647.9 Ų47.911%0.11328%0.282CS..EExtended strand (participates in β ladder)trans-96.1123.1177.3178.7172.1171174.60110.5V9 A56 W58 S73 P75 D78 V79K7-V9 HydrophobicContact CG-CG2 4.44Å; K7-A56 WeakPolarHBondContact CA-O 3.23Å; K7-W58 HydrophobicContact CD-CD2 4.5Å; K7-W58 VanDerWaalsContact CE-CE2 3.46Å; K7-W58 HydrophobicContact CG-CG 4.46Å; K7-S73 WeakPolarHBondContact CE-O 3.43Å; K7-S73 PolarHBondContact NZ-O 3Å; K7-P75 WeakPolarHBondContact CE-O 3.41Å; K7-P75 PolarHBondContact NZ-O 3.4Å; K7-D78 PolarHBondContact N-OD2 3.38Å; K7-D78 WeakPolarHBondContact O-CA 3.37Å; K7-D78 WeakPolarHBondContact O-CB 3.34Å; K7-D78 PolarHBondContact O-N 2.94Å; K7-V79 PolarHBondContact O-N 2.83Å
8L98.8Very high91.9Very high0 Ų045.8 Ų45.80%027%0.269CS..EExtended strand (participates in β ladder)trans-116.4126.3175.9177.8161.2000108.4V10 A56 L57 W58 V79 L81 F171 A174L8-V10 HydrophobicContact CD2-CG2 3.51Å; L8-A56 PolarHBondContact N-O 3.11Å; L8-L57 HydrophobicContact CB-CD2 4.13Å; L8-L57 HydrophobicContact CD1-CD2 4.2Å; L8-L57 HydrophobicContact CD2-CD2 4.04Å; L8-L57 HydrophobicContact CG-CD2 4.37Å; L8-W58 PolarHBondContact O-N 3.02Å; L8-V79 WeakPolarHBondContact CA-O 3.32Å; L8-V79 HydrophobicContact CB-CG1 3.79Å; L8-V79 HydrophobicContact CD1-CG1 3.97Å; L8-V79 HydrophobicContact CG-CG1 3.84Å; L8-L81 HydrophobicContact CD1-CD1 4.01Å; L8-L81 HydrophobicContact CD1-CD2 4.45Å; L8-L81 HydrophobicContact CD1-CG 3.91Å; L8-L81 HydrophobicContact CD2-CB 4.43Å; L8-L81 HydrophobicContact CD2-CD1 3.88Å; L8-L81 HydrophobicContact CD2-CG 3.83Å; L8-L81 HydrophobicContact CG-CD1 4.39Å; L8-L81 HydrophobicContact CG-CG 4.04Å; L8-F171 HydrophobicContact CD1-CD1 3.99Å; L8-F171 HydrophobicContact CD1-CE1 4.14Å; L8-A174 HydrophobicContact CD1-CB 3.79Å
9V98.8Very high92.3Very high0 Ų044.9 Ų44.90%026%0.264CS..EExtended strand (participates in β ladder)trans-110.7134.2174.3-1790000109.2K7 V11 W58 T60 S73 Y74 T77 V79 I80 L81K7-V9 HydrophobicContact CG-CG2 4.44Å; V9-V11 HydrophobicContact CG1-CG1 4.17Å; V9-W58 HydrophobicContact CB-CB 4.28Å; V9-W58 HydrophobicContact CG1-CB 4.33Å; V9-W58 HydrophobicContact CG2-CB 3.81Å; V9-W58 HydrophobicContact CG2-CG 4.21Å; V9-T60 HydrophobicContact CG1-CG2 3.82Å; V9-S73 WeakPolarHBondContact CG2-O 3.41Å; V9-Y74 HydrophobicContact CG1-CD1 3.99Å; V9-Y74 HydrophobicContact CG1-CE1 3.84Å; V9-T77 HydrophobicContact CB-CG2 4.09Å; V9-T77 HydrophobicContact CG2-CG2 3.72Å; V9-T77 VanDerWaalsContact CG2-OG1 3.23Å; V9-T77 WeakPolarHBondContact CG2-OG1 3.49Å; V9-V79 PolarHBondContact N-O 3.12Å; V9-I80 HydrophobicContact CB-CD1 3.98Å; V9-I80 WeakPolarHBondContact O-CA 3.46Å; V9-L81 PolarHBondContact O-N 2.91Å
10V98.9Very high92.6Very high0 Ų044.1 Ų44.10%026%0.26CS..EExtended strand (participates in β ladder)trans-103.8128.7177.1-164.60000109.8L8 K18 L22 W58 T60 L81L8-V10 HydrophobicContact CD2-CG2 3.51Å; V10-K18 HydrophobicContact CB-CD 4.45Å; V10-K18 HydrophobicContact CG1-CB 3.77Å; V10-K18 HydrophobicContact CG1-CD 3.8Å; V10-K18 HydrophobicContact CG1-CG 3.67Å; V10-L22 HydrophobicContact CB-CD1 4.45Å; V10-L22 HydrophobicContact CG2-CD1 3.79Å; V10-L22 HydrophobicContact CG2-CD2 3.54Å; V10-L22 HydrophobicContact CG2-CG 3.92Å; V10-W58 PolarHBondContact N-O 3.19Å; V10-T60 WeakPolarHBondContact O-CG2 3.29Å; V10-T60 PolarHBondContact O-OG1 3.28Å; V10-L81 CarbonylContact C-O 3.44Å; V10-L81 WeakPolarHBondContact CA-O 3.46Å; V10-L81 HydrophobicContact CB-CB 4.4Å; V10-L81 HydrophobicContact CG1-CB 4.02Å; V10-L81 HydrophobicContact CG2-CB 4.14Å; V10-L81 HydrophobicContact CG2-CD1 4.22Å
11V98.8Very high92.9Very high0 Ų042 Ų420%025%0.248CC..EExtended strand (participates in β ladder)trans-131166.2178.4-570000110.5V9 Y74 I80 L81 M82 C83 W99 V103V9-V11 HydrophobicContact CG1-CG1 4.17Å; V11-Y74 HydrophobicContact CG1-CE1 3.7Å; V11-Y74 VanDerWaalsContact CG1-OH 3.29Å; V11-Y74 WeakPolarHBondContact CG1-OH 3.2Å; V11-I80 HydrophobicContact CG2-CG2 3.87Å; V11-L81 PolarHBondContact N-O 2.99Å; V11-M82 HydrophobicContact CG2-CB 4.18Å; V11-M82 HydrophobicContact CG2-CE 4.29Å; V11-M82 HydrophobicContact CG2-CG 4.14Å; V11-C83 PolarHBondContact O-N 2.75Å; V11-W99 HydrophobicContact CB-CE3 3.88Å; V11-W99 HydrophobicContact CB-CZ3 4.14Å; V11-W99 HydrophobicContact CG2-CE3 4.28Å; V11-V103 HydrophobicContact CG2-CG2 3.9Å
12G98.8Very high95.2Very high0 Ų030.5 Ų30.50%019%0.191CC..EExtended strand (participates in β ladder)trans134.8168.6-174.300000111.9K18 G62 C83 W99G12-K18 PolarHBondContact O-NZ 3.05Å; G12-G62 WeakPolarHBondContact O-CA 3.5Å; G12-C83 VanDerWaalsContact CA-O 3.26Å; G12-C83 WeakPolarHBondContact CA-O 3.36Å; G12-W99 WeakPolarHBondContact O-CH2 3.47Å; G12-W99 WeakPolarHBondContact O-CZ2 3.4Å
13D98.5Very high96.9Very high21 Ų2126.9 Ų26.911%0.11216%0.158CC..  trans-56.9160.6-173.8-79.11.9000114.7C16 K18 S91 N94 W99D13-C16 PolarHBondContact O-N 2.72Å; D13-C16 PolarHBondContact O-SG 3Å; D13-K18 PolarHBondContact O-NZ 3.32Å; D13-S91 VanDerWaalsContact OD2-CA 3.29Å; D13-S91 WeakPolarHBondContact OD2-CA 3.39Å; D13-N94 PolarHBondContact OD2-ND2 3.16Å; D13-W99 WeakPolarHBondContact OD1-CZ2 3.43Å; D13-W99 PolarHBondContact OD1-NE1 2.66Å
14G96.2Very high98Very high34 Ų3424.1 Ų24.135%0.35114%0.135SC..THydrogen-bonded Turntrans-53144167.600000110.7C16 G62G14-C16 PolarHBondContact O-N 2.8Å; G14-G62 PolarHBondContact N-O 2.67Å
15A96.3Very high98.1Very high52 Ų5222.7 Ų22.743%0.4313%0.126SC..THydrogen-bonded Turntrans56.711.2177.200000117.1G17 Y34 K118A15-G17 PolarHBondContact O-N 3.19Å; A15-Y34 HydrophobicContact CB-CE1 4.49Å; A15-Y34 HydrophobicContact CB-CE2 4.49Å; A15-Y34 PolarHBondContact N-OH 2.86Å; A15-K118 WeakPolarHBondContact O-CE 3.07Å; A15-K118 PolarHBondContact O-NZ 3.44Å
16C98.2Very high98.1Very high0 Ų017 Ų170%011%0.11CC..SBendtrans-76-1.9176.979.10000113.9D13 G14 N117D13-C16 PolarHBondContact O-N 2.72Å; D13-C16 PolarHBondContact O-SG 3Å; G14-C16 PolarHBondContact O-N 2.8Å; C16-N117 WeakPolarHBondContact O-CB 3.26Å; C16-N117 PolarHBondContact O-ND2 2.91Å
17G98.3Very high97.9Very high15 Ų1521 Ų2116%0.15513%0.127CC..SBendtrans98.913.1172.400000116.8A15 T19 C20 L21A15-G17 PolarHBondContact O-N 3.19Å; G17-T19 PolarHBondContact O-N 3.2Å; G17-C20 PolarHBondContact O-N 3.38Å; G17-L21 WeakPolarHBondContact O-CB 3.48Å; G17-L21 PolarHBondContact O-N 2.77Å
18K98.6Very high97.8Very high10 Ų1024.9 Ų24.94%0.04315%0.149CC..Hα-helixtrans-50.8-54.8177.8-58.9-173.4-62.5-73.80113.1V10 G12 D13 C20 L21 L22 T60 C83V10-K18 HydrophobicContact CB-CD 4.45Å; V10-K18 HydrophobicContact CG1-CB 3.77Å; V10-K18 HydrophobicContact CG1-CD 3.8Å; V10-K18 HydrophobicContact CG1-CG 3.67Å; G12-K18 PolarHBondContact O-NZ 3.05Å; D13-K18 PolarHBondContact O-NZ 3.32Å; K18-C20 PolarHBondContact O-N 3.17Å; K18-L21 WeakPolarHBondContact O-CB 3.22Å; K18-L21 PolarHBondContact O-N 3.14Å; K18-L22 WeakPolarHBondContact O-CG 3.2Å; K18-L22 PolarHBondContact O-N 3.21Å; K18-T60 WeakPolarHBondContact CE-O 3.32Å; K18-C83 HydrophobicContact CG-CB 4.03Å
19T98.3Very high97.6Very high29 Ų2931.2 Ų31.218%0.17818%0.179CC..Hα-helixtrans-64.1-43.7-177.1-50.40000112G17 L21 L22 I23 T37 D59G17-T19 PolarHBondContact O-N 3.2Å; T19-L21 VanDerWaalsContact C-N 3.31Å; T19-L21 PolarHBondContact O-N 3.42Å; T19-L22 PolarHBondContact O-N 3.02Å; T19-I23 HydrophobicContact CG2-CD1 3.71Å; T19-I23 HydrophobicContact CG2-CG1 4.32Å; T19-I23 WeakPolarHBondContact O-CB 3.37Å; T19-I23 VanDerWaalsContact O-CG1 3.3Å; T19-I23 WeakPolarHBondContact O-CG1 3.4Å; T19-I23 PolarHBondContact O-N 3.09Å; T19-T37 PolarHBondContact OG1-OG1 2.53Å; T19-D59 VanDerWaalsContact CA-OD2 3.3Å; T19-D59 WeakPolarHBondContact CA-OD2 3.07Å; T19-D59 WeakPolarHBondContact CB-OD2 3.42Å; T19-D59 WeakPolarHBondContact CG2-OD2 3.32Å; T19-D59 PolarHBondContact OG1-OD2 2.74Å
20C98.4Very high97.4Very high28 Ų2834.8 Ų34.819%0.18919%0.194CC..Hα-helixtrans-59.2-43174.9-58.70000111.6G17 K18 I23 V24 F30 P31 A161G17-C20 PolarHBondContact O-N 3.38Å; K18-C20 PolarHBondContact O-N 3.17Å; C20-I23 PolarHBondContact O-N 2.8Å; C20-V24 WeakPolarHBondContact O-CB 3.38Å; C20-V24 VanDerWaalsContact O-CG2 3.24Å; C20-V24 WeakPolarHBondContact O-CG2 3.42Å; C20-V24 PolarHBondContact O-N 2.85Å; C20-F30 HydrophobicContact CB-CD2 4.36Å; C20-F30 HydrophobicContact CB-CE2 3.86Å; C20-P31 HydrophobicContact CB-CG 4.39Å; C20-A161 HydrophobicContact CB-CB 3.88Å
21L98.8Very high97.1Very high0 Ų036.5 Ų36.50%021%0.205CC..Hα-helixtrans-59.8-47.2177.4175.263.5000111.5G17 K18 T19 F25 L81 V115 V167 V170 F171G17-L21 WeakPolarHBondContact O-CB 3.48Å; G17-L21 PolarHBondContact O-N 2.77Å; K18-L21 WeakPolarHBondContact O-CB 3.22Å; K18-L21 PolarHBondContact O-N 3.14Å; T19-L21 VanDerWaalsContact C-N 3.31Å; T19-L21 PolarHBondContact O-N 3.42Å; L21-F25 WeakPolarHBondContact O-CB 3.15Å; L21-F25 PolarHBondContact O-N 2.84Å; L21-F25 VanDerWaalsContact O-N 3.11Å; L21-L81 HydrophobicContact CD2-CD1 4.27Å; L21-V115 HydrophobicContact CD2-CG1 4.29Å; L21-V167 HydrophobicContact CD1-CB 4.37Å; L21-V167 HydrophobicContact CD1-CG1 3.97Å; L21-V167 HydrophobicContact CD1-CG2 4.05Å; L21-V170 HydrophobicContact CD2-CG1 4.37Å; L21-F171 HydrophobicContact CD1-CE2 3.86Å; L21-F171 HydrophobicContact CD1-CZ 4.46Å; L21-F171 HydrophobicContact CG-CE2 3.93Å; L21-F171 HydrophobicContact CG-CZ 4.03Å
22L98.6Very high96.7Very high0 Ų045.5 Ų45.50%025%0.248CC..Hα-helixtrans-66.7-43.2179.5-67.2177.6000112.7V10 K18 T19 F25 S26 Y42 L57 D59 F171V10-L22 HydrophobicContact CB-CD1 4.45Å; V10-L22 HydrophobicContact CG2-CD1 3.79Å; V10-L22 HydrophobicContact CG2-CD2 3.54Å; V10-L22 HydrophobicContact CG2-CG 3.92Å; K18-L22 WeakPolarHBondContact O-CG 3.2Å; K18-L22 PolarHBondContact O-N 3.21Å; T19-L22 PolarHBondContact O-N 3.02Å; L22-F25 PolarHBondContact O-N 2.87Å; L22-S26 WeakPolarHBondContact O-CB 3.5Å; L22-S26 PolarHBondContact O-N 2.87Å; L22-S26 PolarHBondContact O-OG 3.31Å; L22-Y42 HydrophobicContact CB-CD2 4.47Å; L22-Y42 HydrophobicContact CD1-CD2 4.43Å; L22-L57 HydrophobicContact CD2-CB 4.06Å; L22-L57 HydrophobicContact CD2-CD1 4.2Å; L22-L57 HydrophobicContact CD2-CD2 4.3Å; L22-L57 HydrophobicContact CD2-CG 4.42Å; L22-D59 HydrophobicContact CD1-CB 3.41Å; L22-D59 VanDerWaalsContact CD1-CB 3.41Å; L22-F171 HydrophobicContact CD2-CE1 3.85Å; L22-F171 HydrophobicContact CD2-CZ 3.77Å
23I97Very high96.2Very high24 Ų2451 Ų5112%0.12328%0.281CS..Hα-helixtrans-66.3-45.8179.8-68.3174.5000110.4T19 C20 F25 S26 K27 E29 P31 Y42T19-I23 HydrophobicContact CG2-CD1 3.71Å; T19-I23 HydrophobicContact CG2-CG1 4.32Å; T19-I23 WeakPolarHBondContact O-CB 3.37Å; T19-I23 VanDerWaalsContact O-CG1 3.3Å; T19-I23 WeakPolarHBondContact O-CG1 3.4Å; T19-I23 PolarHBondContact O-N 3.09Å; C20-I23 PolarHBondContact O-N 2.8Å; I23-F25 VanDerWaalsContact C-N 3.29Å; I23-F25 PolarHBondContact O-N 3.49Å; I23-S26 PolarHBondContact O-N 3.21Å; I23-S26 PolarHBondContact O-OG 3.15Å; I23-K27 HydrophobicContact CG2-CB 4.4Å; I23-K27 HydrophobicContact CG2-CD 4.27Å; I23-K27 WeakPolarHBondContact O-CA 3.38Å; I23-K27 WeakPolarHBondContact O-CB 3.48Å; I23-K27 PolarHBondContact O-N 2.94Å; I23-E29 WeakPolarHBondContact CG2-O 3.38Å; I23-P31 HydrophobicContact CD1-CG 4.14Å; I23-Y42 HydrophobicContact CG1-CE1 4.1Å
24V98.3Very high95.6Very high4 Ų456.5 Ų56.52%0.02430%0.301CS..Hα-helixtrans-62-40.6178.41700000110.9C20 D28 E29 F30 A161 K164 V167C20-V24 WeakPolarHBondContact O-CB 3.38Å; C20-V24 VanDerWaalsContact O-CG2 3.24Å; C20-V24 WeakPolarHBondContact O-CG2 3.42Å; C20-V24 PolarHBondContact O-N 2.85Å; V24-D28 WeakPolarHBondContact O-CA 3.37Å; V24-D28 PolarHBondContact O-N 3Å; V24-E29 VanDerWaalsContact CG2-O 3.26Å; V24-E29 WeakPolarHBondContact CG2-O 3.18Å; V24-F30 HydrophobicContact CG2-CB 4.02Å; V24-F30 HydrophobicContact CG2-CD2 3.96Å; V24-F30 HydrophobicContact CG2-CG 4.5Å; V24-A161 HydrophobicContact CB-CB 4.38Å; V24-A161 HydrophobicContact CG2-CB 3.97Å; V24-A161 WeakPolarHBondContact CG2-O 3.23Å; V24-K164 HydrophobicContact CG1-CG 3.93Å; V24-V167 HydrophobicContact CG1-CG1 4.27Å; V24-V167 HydrophobicContact CG1-CG2 4.25Å
25F98.3Very high95.2Very high40 Ų4059.8 Ų59.818%0.17531%0.314CS..Hα-helixtrans-66-45.1176172.8-113.9000113.1L21 L22 I23 A44 I46 L55 L57 V167 F171L21-F25 WeakPolarHBondContact O-CB 3.15Å; L21-F25 PolarHBondContact O-N 2.84Å; L21-F25 VanDerWaalsContact O-N 3.11Å; L22-F25 PolarHBondContact O-N 2.87Å; I23-F25 VanDerWaalsContact C-N 3.29Å; I23-F25 PolarHBondContact O-N 3.49Å; F25-A44 HydrophobicContact CD1-CB 4.05Å; F25-A44 HydrophobicContact CE1-CB 3.48Å; F25-A44 VanDerWaalsContact CE1-CB 3.48Å; F25-A44 HydrophobicContact CZ-CB 4.17Å; F25-I46 HydrophobicContact CE2-CD1 4.05Å; F25-I46 HydrophobicContact CZ-CB 4.22Å; F25-I46 HydrophobicContact CZ-CD1 3.99Å; F25-I46 HydrophobicContact CZ-CG1 4.49Å; F25-L55 HydrophobicContact CE1-CD1 3.94Å; F25-L55 HydrophobicContact CZ-CD1 4.08Å; F25-L57 HydrophobicContact CD1-CD1 3.86Å; F25-L57 HydrophobicContact CE1-CD1 4.1Å; F25-V167 HydrophobicContact CB-CG1 3.88Å; F25-F171 HydrophobicContact CB-CD2 3.62Å; F25-F171 HydrophobicContact CB-CE1 4.49Å; F25-F171 HydrophobicContact CB-CE2 3.26Å; F25-F171 HydrophobicContact CB-CG 4.4Å; F25-F171 HydrophobicContact CB-CZ 3.75Å; F25-F171 HydrophobicContact CD1-CB 4.42Å; F25-F171 AromaticContact CD1-CD1 3.58Å; F25-F171 HydrophobicContact CD1-CD1 3.58Å; F25-F171 AromaticContact CD1-CD2 3.73Å; F25-F171 HydrophobicContact CD1-CD2 3.73Å; F25-F171 AromaticContact CD1-CE1 3.64Å; F25-F171 HydrophobicContact CD1-CE1 3.64Å; F25-F171 AromaticContact CD1-CE2 3.82Å; F25-F171 HydrophobicContact CD1-CE2 3.82Å; F25-F171 AromaticContact CD1-CG 3.62Å; F25-F171 HydrophobicContact CD1-CG 3.62Å; F25-F171 AromaticContact CD1-CZ 3.76Å; F25-F171 HydrophobicContact CD1-CZ 3.76Å; F25-F171 HydrophobicContact CD2-CB 3.95Å; F25-F171 HydrophobicContact CD2-CD1 4.47Å; F25-F171 AromaticContact CD2-CD2 3.37Å; F25-F171 HydrophobicContact CD2-CD2 3.37Å; F25-F171 AromaticContact CD2-CE2 4Å; F25-F171 HydrophobicContact CD2-CE2 4Å; F25-F171 AromaticContact CD2-CG 3.67Å; F25-F171 HydrophobicContact CD2-CG 3.67Å; F25-F171 HydrophobicContact CE1-CB 4.05Å; F25-F171 AromaticContact CE1-CD1 3.59Å; F25-F171 HydrophobicContact CE1-CD1 3.59Å; F25-F171 HydrophobicContact CE1-CD2 4.22Å; F25-F171 HydrophobicContact CE1-CE1 4.07Å; F25-F171 AromaticContact CE1-CG 3.68Å; F25-F171 HydrophobicContact CE1-CG 3.68Å; F25-F171 HydrophobicContact CE2-CB 3.56Å; F25-F171 HydrophobicContact CE2-CD1 4.49Å; F25-F171 AromaticContact CE2-CD2 3.93Å; F25-F171 HydrophobicContact CE2-CD2 3.93Å; F25-F171 AromaticContact CE2-CG 3.74Å; F25-F171 HydrophobicContact CE2-CG 3.74Å; F25-F171 HydrophobicContact CG-CB 4.36Å; F25-F171 HydrophobicContact CG-CD1 4.04Å; F25-F171 AromaticContact CG-CD2 3.26Å; F25-F171 HydrophobicContact CG-CD2 3.26Å; F25-F171 HydrophobicContact CG-CE1 4.13Å; F25-F171 AromaticContact CG-CE2 3.41Å; F25-F171 HydrophobicContact CG-CE2 3.41Å; F25-F171 VanDerWaalsContact CG-CE2 3.41Å; F25-F171 AromaticContact CG-CG 3.62Å; F25-F171 HydrophobicContact CG-CG 3.62Å; F25-F171 AromaticContact CG-CZ 3.84Å; F25-F171 HydrophobicContact CG-CZ 3.84Å; F25-F171 HydrophobicContact CZ-CB 3.62Å; F25-F171 HydrophobicContact CZ-CD1 4.08Å; F25-F171 HydrophobicContact CZ-CD2 4.32Å; F25-F171 AromaticContact CZ-CG 3.75Å; F25-F171 HydrophobicContact CZ-CG 3.75Å
26S95.8Very high95Very high34 Ų3460.2 Ų60.224%0.23831%0.313CS..Hα-helixtrans-84.2-25.6-172.957.90000114.5L22 I23L22-S26 WeakPolarHBondContact O-CB 3.5Å; L22-S26 PolarHBondContact O-N 2.87Å; L22-S26 PolarHBondContact O-OG 3.31Å; I23-S26 PolarHBondContact O-N 3.21Å; I23-S26 PolarHBondContact O-OG 3.15Å
27K95Very high94.7Very high125 Ų12560.9 Ų60.954%0.54332%0.316SS..Hα-helixtrans-126.3-4.8-172.9-55.1-171.8-173.3172.50114.2I23 E29I23-K27 HydrophobicContact CG2-CB 4.4Å; I23-K27 HydrophobicContact CG2-CD 4.27Å; I23-K27 WeakPolarHBondContact O-CA 3.38Å; I23-K27 WeakPolarHBondContact O-CB 3.48Å; I23-K27 PolarHBondContact O-N 2.94Å; K27-E29 PolarHBondContact O-N 3.34Å; K27-E29 VanDerWaalsContact O-N 3.15Å
28D94.9Very high94.3Very high107 Ų10763.8 Ų63.857%0.57233%0.331SS*.SBendtrans57.423.7-177.8-160.943.4000114.6V24 K164V24-D28 WeakPolarHBondContact O-CA 3.37Å; V24-D28 PolarHBondContact O-N 3Å; D28-K164 WeakPolarHBondContact O-CE 3.44Å; D28-K164 PolarHBondContact O-NZ 3.13Å; D28-K164 WeakPolarHBondContact OD1-CE 3.33Å; D28-K164 IonicContact OD1-NZ 2.97Å; D28-K164 PolarHBondContact OD1-NZ 3.4Å; D28-K164 IonicContact OD2-NZ 3.97Å; D28-K164 PolarHBondContact OD2-NZ 2.92Å
29E94.7Very high94Very high133 Ų13367.1 Ų67.162%0.62135%0.346SS*.  trans-127.1136.9-178-174.1178.1-17500110.5I23 V24 K27I23-E29 WeakPolarHBondContact CG2-O 3.38Å; V24-E29 VanDerWaalsContact CG2-O 3.26Å; V24-E29 WeakPolarHBondContact CG2-O 3.18Å; K27-E29 PolarHBondContact O-N 3.34Å; K27-E29 VanDerWaalsContact O-N 3.15Å
30F95.2Very high93.8Very high74 Ų7469.9 Ų69.933%0.32536%0.357SS..  trans-93.8122.1174.4-177.6-95000110C20 V24 E32 A161 K162C20-F30 HydrophobicContact CB-CD2 4.36Å; C20-F30 HydrophobicContact CB-CE2 3.86Å; V24-F30 HydrophobicContact CG2-CB 4.02Å; V24-F30 HydrophobicContact CG2-CD2 3.96Å; V24-F30 HydrophobicContact CG2-CG 4.5Å; F30-E32 PolarHBondContact O-N 3.1Å; F30-A161 HydrophobicContact CD2-CB 4.01Å; F30-A161 HydrophobicContact CE2-CB 4Å; F30-K162 HydrophobicContact CD2-CB 4.24Å; F30-K162 HydrophobicContact CE2-CB 3.96Å; F30-K162 HydrophobicContact CZ-CB 4.18Å
31P93.2Very high93.7Very high36 Ų3672.7 Ų72.723%0.23437%0.37CS..  trans-72.2125.6178.829.7-34.6000110.9C20 I23C20-P31 HydrophobicContact CB-CG 4.39Å; I23-P31 HydrophobicContact CD1-CG 4.14Å
32E89.5Confident93.6Very high190 Ų19073.8 Ų73.889%0.88837%0.374SS*.SBendtrans-81.4-19.8179.2-62.8-168.9164.300113.6F30F30-E32 PolarHBondContact O-N 3.1Å
33V89.1Confident93.4Very high116 Ų11677.7 Ų77.770%0.70340%0.398SS*.SBendtrans-105.4125.1-178.8-177.80000109.9V35V33-V35 HydrophobicContact CG1-CG2 4.37Å
34Y84.3Confident93.4Very high136 Ų13677.1 Ų77.153%0.53340%0.397SS..  trans-85.2124.9174178-114.1000111.4A15 P36A15-Y34 HydrophobicContact CB-CE1 4.49Å; A15-Y34 HydrophobicContact CB-CE2 4.49Å; A15-Y34 PolarHBondContact N-OH 2.86Å; Y34-P36 HydrophobicContact CE1-CG 3.84Å
35V88.2Confident93.3Very high103 Ų10382.8 Ų82.862%0.62443%0.427SS*.  trans-127126.3168.9-1790000107.8V33 T37V33-V35 HydrophobicContact CG1-CG2 4.37Å; V35-T37 PolarHBondContact O-N 2.76Å
36P92.1Very high93.2Very high61 Ų6181.5 Ų81.540%0.39642%0.422SS..  trans-61.8119.4175.6-22.132000111.8Y34 Q63Y34-P36 HydrophobicContact CE1-CG 3.84Å; P36-Q63 VanDerWaalsContact CB-NE2 3.3Å
37T92.1Very high93.2Very high13 Ų1384.8 Ų84.88%0.0843%0.433CS..  trans-71.7136.2-179.4-48.30000111.2T19 V35 E40 D59 A61T19-T37 PolarHBondContact OG1-OG1 2.53Å; V35-T37 PolarHBondContact O-N 2.76Å; T37-E40 HydrophobicContact CG2-CB 4.48Å; T37-E40 HydrophobicContact CG2-CG 4.14Å; T37-D59 HydrophobicContact CG2-CB 4.36Å; T37-A61 VanDerWaalsContact O-CA 3.22Å; T37-A61 WeakPolarHBondContact O-CA 3.43Å; T37-A61 WeakPolarHBondContact O-CB 3.23Å
38V90.4Very high93.2Very high77 Ų7779 Ų7947%0.46741%0.408SS..SBendtrans-87.3-63.2165.6175.70000108.8A61 Y66V38-A61 WeakPolarHBondContact O-CB 3.34Å; V38-A61 PolarHBondContact O-N 3.06Å; V38-Y66 HydrophobicContact CB-CE1 4.14Å; V38-Y66 HydrophobicContact CG1-CD1 3.91Å; V38-Y66 HydrophobicContact CG1-CE1 3.47Å; V38-Y66 VanDerWaalsContact CG1-CE1 3.47Å; V38-Y66 HydrophobicContact CG2-CE1 3.9Å; V38-Y66 WeakPolarHBondContact CG2-OH 3.37Å
39F91.5Very high93.1Very high79 Ų7979 Ų7935%0.34641%0.409SS..EExtended strand (participates in β ladder)trans-165.8133.8176.7172.6-105.7000109.1N41 W58 D59 S73F39-N41 VanDerWaalsContact CE1-ND2 3.28Å; F39-N41 WeakPolarHBondContact CE1-ND2 3.39Å; F39-N41 VanDerWaalsContact CZ-CG 3.42Å; F39-N41 VanDerWaalsContact CZ-ND2 3.26Å; F39-N41 WeakPolarHBondContact CZ-ND2 3.48Å; F39-N41 WeakPolarHBondContact CZ-OD1 3.28Å; F39-W58 HydrophobicContact CE1-CE3 4.45Å; F39-W58 HydrophobicContact CE1-CZ3 4.32Å; F39-W58 HydrophobicContact CE2-CB 4.26Å; F39-W58 HydrophobicContact CE2-CD2 4.05Å; F39-W58 AromaticContact CE2-CE3 3.32Å; F39-W58 HydrophobicContact CE2-CE3 3.32Å; F39-W58 HydrophobicContact CE2-CG 4.49Å; F39-W58 AromaticContact CE2-CZ3 3.9Å; F39-W58 HydrophobicContact CE2-CZ3 3.9Å; F39-W58 AromaticContact CZ-CD2 3.9Å; F39-W58 HydrophobicContact CZ-CD2 3.9Å; F39-W58 AromaticContact CZ-CE3 3.19Å; F39-W58 HydrophobicContact CZ-CE3 3.19Å; F39-W58 HydrophobicContact CZ-CH2 4.23Å; F39-W58 AromaticContact CZ-CZ3 3.37Å; F39-W58 HydrophobicContact CZ-CZ3 3.37Å; F39-D59 WeakPolarHBondContact CA-O 3.44Å; F39-D59 WeakPolarHBondContact CD2-O 3.22Å; F39-S73 WeakPolarHBondContact CD2-OG 3.45Å; F39-S73 VanDerWaalsContact CE2-OG 3.28Å; F39-S73 WeakPolarHBondContact CE2-OG 3.48Å
40E95.1Very high93Very high88 Ų8875.7 Ų75.741%0.41141%0.41SS..EExtended strand (participates in β ladder)trans-141.9152.5175.2-68.9-170.3-155.800111.2T37 Y42 D59T37-E40 HydrophobicContact CG2-CB 4.48Å; T37-E40 HydrophobicContact CG2-CG 4.14Å; E40-Y42 HydrophobicContact CB-CE2 3.79Å; E40-Y42 VanDerWaalsContact OE2-CZ 3.28Å; E40-Y42 PolarHBondContact OE2-OH 2.84Å; E40-D59 HydrophobicContact CB-CB 4.21Å; E40-D59 PolarHBondContact N-O 3.19Å; E40-D59 VanDerWaalsContact N-O 3.17Å; E40-D59 PolarHBondContact O-N 2.87Å
41N95.3Very high92.9Very high86 Ų8676.9 Ų76.946%0.4642%0.415SS..EExtended strand (participates in β ladder)trans-120.9133.4176.8-75.6-42.7000110.6F39 L57 W58F39-N41 VanDerWaalsContact CE1-ND2 3.28Å; F39-N41 WeakPolarHBondContact CE1-ND2 3.39Å; F39-N41 VanDerWaalsContact CZ-CG 3.42Å; F39-N41 VanDerWaalsContact CZ-ND2 3.26Å; F39-N41 WeakPolarHBondContact CZ-ND2 3.48Å; F39-N41 WeakPolarHBondContact CZ-OD1 3.28Å; N41-L57 WeakPolarHBondContact CA-O 3.09Å; N41-W58 VanDerWaalsContact OD1-CD2 3.24Å
42Y95.8Very high93.1Very high23 Ų2380.3 Ų80.39%0.0943%0.427CS..EExtended strand (participates in β ladder)trans-123.8159.3172.6-52.6-96.8000109.9L22 I23 E40 L57 D59L22-Y42 HydrophobicContact CB-CD2 4.47Å; L22-Y42 HydrophobicContact CD1-CD2 4.43Å; I23-Y42 HydrophobicContact CG1-CE1 4.1Å; E40-Y42 HydrophobicContact CB-CE2 3.79Å; E40-Y42 VanDerWaalsContact OE2-CZ 3.28Å; E40-Y42 PolarHBondContact OE2-OH 2.84Å; Y42-L57 PolarHBondContact N-O 3.2Å; Y42-L57 PolarHBondContact O-N 2.89Å; Y42-D59 HydrophobicContact CE2-CB 4.23Å
43V95.7Very high93.5Very high82 Ų8271.3 Ų71.350%0.49739%0.386SS..EExtended strand (participates in β ladder)trans-124.4135.6169.5-179.80000107.5E54 L55V43-E54 HydrophobicContact CG1-CG 3.45Å; V43-E54 VanDerWaalsContact CG1-CG 3.45Å; V43-L55 WeakPolarHBondContact CA-O 3.26Å
44A96.5Very high93.9Very high12 Ų1268.3 Ų68.310%0.09936%0.364CS..EExtended strand (participates in β ladder)trans-141.8136.3175.200000109.7F25 L55 L57F25-A44 HydrophobicContact CD1-CB 4.05Å; F25-A44 HydrophobicContact CE1-CB 3.48Å; F25-A44 VanDerWaalsContact CE1-CB 3.48Å; F25-A44 HydrophobicContact CZ-CB 4.17Å; A44-L55 PolarHBondContact N-O 2.85Å; A44-L55 WeakPolarHBondContact O-CB 3.47Å; A44-L55 PolarHBondContact O-N 2.92Å; A44-L57 HydrophobicContact CB-CD1 3.97Å
45D96Very high94.5Very high123 Ų12361.9 Ų61.966%0.65834%0.339SS*.EExtended strand (participates in β ladder)trans-89.5136173-66.2-47.4000110
46I96.5Very high95Very high13 Ų1357.3 Ų57.37%0.06731%0.312CS..EExtended strand (participates in β ladder)trans-141.2139.5176.2-167.9175.6000110.7F25 V48 V53 L55 F171 E172 T175F25-I46 HydrophobicContact CE2-CD1 4.05Å; F25-I46 HydrophobicContact CZ-CB 4.22Å; F25-I46 HydrophobicContact CZ-CD1 3.99Å; F25-I46 HydrophobicContact CZ-CG1 4.49Å; I46-V48 HydrophobicContact CD1-CG2 3.91Å; I46-V48 HydrophobicContact CG1-CG2 3.94Å; I46-V48 HydrophobicContact CG2-CG2 4.34Å; I46-V53 HydrophobicContact CG2-CB 4.2Å; I46-V53 PolarHBondContact N-O 3.26Å; I46-V53 PolarHBondContact O-N 3.42Å; I46-L55 HydrophobicContact CG2-CD1 3.72Å; I46-L55 HydrophobicContact CG2-CG 3.94Å; I46-F171 HydrophobicContact CD1-CB 4.05Å; I46-E172 HydrophobicContact CD1-CG 3.83Å; I46-T175 HydrophobicContact CG2-CG2 4.16Å
47E95.3Very high95.3Very high103 Ų10354.4 Ų54.448%0.48129%0.293SS..EExtended strand (participates in β ladder)trans-98120.9170.3-168.4-179.215600110K51 Q52E47-K51 WeakPolarHBondContact CA-O 3.09Å; E47-Q52 PolarHBondContact OE2-NE2 2.96Å
48V95.3Very high95.6Very high4 Ų456.8 Ų56.82%0.02430%0.301CS..EExtended strand (participates in β ladder)trans-131.1125.1177-179.40000109.8I46 G50 K51 E172 T175 R176I46-V48 HydrophobicContact CD1-CG2 3.91Å; I46-V48 HydrophobicContact CG1-CG2 3.94Å; I46-V48 HydrophobicContact CG2-CG2 4.34Å; V48-G50 PolarHBondContact O-N 2.84Å; V48-K51 PolarHBondContact N-O 3.45Å; V48-K51 WeakPolarHBondContact O-CB 3.45Å; V48-K51 PolarHBondContact O-N 2.81Å; V48-E172 HydrophobicContact CG2-CB 4.33Å; V48-E172 HydrophobicContact CG2-CG 4.17Å; V48-T175 HydrophobicContact CB-CG2 3.94Å; V48-T175 HydrophobicContact CG2-CG2 3.68Å; V48-R176 HydrophobicContact CG1-CB 4.31Å
49D93.5Very high96Very high108 Ų10853.1 Ų53.158%0.57828%0.279SS*.THydrogen-bonded Turntrans51.441.6179.3-50.8-24.8000112.3K51 R176D49-K51 VanDerWaalsContact C-N 3.29Å; D49-K51 PolarHBondContact O-N 2.91Å; D49-R176 IonicContact OD1-CZ 3.64Å; D49-R176 IonicContact OD1-NE 2.8Å; D49-R176 IonicContact OD1-NH2 2.75Å; D49-R176 PolarHBondContact OD1-NH2 3.06Å; D49-R176 IonicContact OD2-CZ 2.69Å; D49-R176 IonicContact OD2-NE 3Å; D49-R176 PolarHBondContact OD2-NE 2.95Å; D49-R176 IonicContact OD2-NH2 2.94Å
50G92.4Very high96.3Very high62 Ų6249.5 Ų49.564%0.63926%0.263SS*.THydrogen-bonded Turntrans74.98.9-179.100000115.3V48V48-G50 PolarHBondContact O-N 2.84Å
51K93.6Very high96.4Very high99 Ų9945.4 Ų45.443%0.4324%0.244SC..EExtended strand (participates in β ladder)trans-107.9124.8178-62.5173.4-175.2168.40110.2I4 E47 V48 D49 V53 L179I4-K51 HydrophobicContact CD1-CB 4.29Å; I4-K51 HydrophobicContact CD1-CD 4.27Å; I4-K51 HydrophobicContact CD1-CG 4.48Å; E47-K51 WeakPolarHBondContact CA-O 3.09Å; V48-K51 PolarHBondContact N-O 3.45Å; V48-K51 WeakPolarHBondContact O-CB 3.45Å; V48-K51 PolarHBondContact O-N 2.81Å; D49-K51 VanDerWaalsContact C-N 3.29Å; D49-K51 PolarHBondContact O-N 2.91Å; K51-V53 HydrophobicContact CB-CG2 4.44Å; K51-L179 HydrophobicContact CD-CD1 4.09Å
52Q96.1Very high96.3Very high108 Ų10841.7 Ų41.751%0.50523%0.226SC..EExtended strand (participates in β ladder)trans-77.5121.4169.7-63.2-64.3-6.900109.7E47E47-Q52 PolarHBondContact OE2-NE2 2.96Å
53V97.7Very high96.2Very high2 Ų243.9 Ų43.91%0.01224%0.237CC..EExtended strand (participates in β ladder)trans-124.7127.3-177.6-175.80000109.9I4 K6 I46 K51 L55 T175 L179I4-V53 HydrophobicContact CB-CG2 4.35Å; I4-V53 HydrophobicContact CG2-CG2 4.43Å; I4-V53 CarbonylContact O-C 3.4Å; I4-V53 VanDerWaalsContact O-CA 3.23Å; I4-V53 WeakPolarHBondContact O-CA 3.39Å; I4-V53 WeakPolarHBondContact O-CG1 3.27Å; K6-V53 HydrophobicContact CB-CG1 3.95Å; K6-V53 HydrophobicContact CG-CG1 3.84Å; I46-V53 HydrophobicContact CG2-CB 4.2Å; I46-V53 PolarHBondContact N-O 3.26Å; I46-V53 PolarHBondContact O-N 3.42Å; K51-V53 HydrophobicContact CB-CG2 4.44Å; V53-L55 HydrophobicContact CG1-CD2 4.25Å; V53-L55 HydrophobicContact CG1-CG 4.49Å; V53-T175 HydrophobicContact CB-CG2 4.01Å; V53-T175 HydrophobicContact CG1-CG2 4.06Å; V53-T175 HydrophobicContact CG2-CG2 3.81Å; V53-L179 HydrophobicContact CG2-CD1 4.04Å; V53-L179 HydrophobicContact CG2-CD2 4.09Å; V53-L179 HydrophobicContact CG2-CG 4.43Å
54E97.7Very high96Very high53 Ų5346.5 Ų46.525%0.24824%0.244CC..EExtended strand (participates in β ladder)trans-86.9113166.2-174.9-17189.400108.1I4 R5 K6 V43I4-E54 PolarHBondContact O-N 2.89Å; R5-E54 WeakPolarHBondContact CA-O 3.38Å; R5-E54 VanDerWaalsContact CD-OE1 3.22Å; R5-E54 WeakPolarHBondContact CD-OE1 3.31Å; R5-E54 HydrophobicContact CG-CB 4.46Å; R5-E54 IonicContact CZ-OE1 3.34Å; R5-E54 IonicContact NE-OE1 3.68Å; R5-E54 PolarHBondContact NE-OE1 3.28Å; R5-E54 IonicContact NH1-OE1 3.85Å; R5-E54 IonicContact NH2-OE1 3.86Å; K6-E54 PolarHBondContact N-O 2.9Å; V43-E54 HydrophobicContact CG1-CG 3.45Å; V43-E54 VanDerWaalsContact CG1-CG 3.45Å
55L98.1Very high95.9Very high0 Ų052.5 Ų52.50%027%0.274CS..EExtended strand (participates in β ladder)trans-87.7119173.3-70.4174.9000110.1K6 F25 V43 A44 I46 V53 L57 F171K6-L55 HydrophobicContact CB-CD2 3.98Å; K6-L55 CarbonylContact O-C 3.55Å; K6-L55 WeakPolarHBondContact O-CA 3.28Å; F25-L55 HydrophobicContact CE1-CD1 3.94Å; F25-L55 HydrophobicContact CZ-CD1 4.08Å; V43-L55 WeakPolarHBondContact CA-O 3.26Å; A44-L55 PolarHBondContact N-O 2.85Å; A44-L55 WeakPolarHBondContact O-CB 3.47Å; A44-L55 PolarHBondContact O-N 2.92Å; I46-L55 HydrophobicContact CG2-CD1 3.72Å; I46-L55 HydrophobicContact CG2-CG 3.94Å; V53-L55 HydrophobicContact CG1-CD2 4.25Å; V53-L55 HydrophobicContact CG1-CG 4.49Å; L55-L57 HydrophobicContact CB-CD2 3.77Å; L55-L57 HydrophobicContact CB-CG 4.25Å; L55-L57 HydrophobicContact CD1-CD2 4.2Å; L55-F171 HydrophobicContact CD1-CD1 4.21Å
56A98.3Very high95.8Very high8 Ų849.6 Ų49.67%0.06626%0.255CS..EExtended strand (participates in β ladder)trans-85.9108.5162.200000108.3K6 K7 L8K6-A56 PolarHBondContact O-N 2.88Å; K7-A56 WeakPolarHBondContact CA-O 3.23Å; L8-A56 PolarHBondContact N-O 3.11Å
57L98.6Very high95.8Very high0 Ų051.8 Ų51.80%027%0.266CS..EExtended strand (participates in β ladder)trans-98119.3-174.7-52.8172.4000109.4L8 L22 F25 N41 Y42 A44 L55 F171L8-L57 HydrophobicContact CB-CD2 4.13Å; L8-L57 HydrophobicContact CD1-CD2 4.2Å; L8-L57 HydrophobicContact CD2-CD2 4.04Å; L8-L57 HydrophobicContact CG-CD2 4.37Å; L22-L57 HydrophobicContact CD2-CB 4.06Å; L22-L57 HydrophobicContact CD2-CD1 4.2Å; L22-L57 HydrophobicContact CD2-CD2 4.3Å; L22-L57 HydrophobicContact CD2-CG 4.42Å; F25-L57 HydrophobicContact CD1-CD1 3.86Å; F25-L57 HydrophobicContact CE1-CD1 4.1Å; N41-L57 WeakPolarHBondContact CA-O 3.09Å; Y42-L57 PolarHBondContact N-O 3.2Å; Y42-L57 PolarHBondContact O-N 2.89Å; A44-L57 HydrophobicContact CB-CD1 3.97Å; L55-L57 HydrophobicContact CB-CD2 3.77Å; L55-L57 HydrophobicContact CB-CG 4.25Å; L55-L57 HydrophobicContact CD1-CD2 4.2Å; L57-F171 HydrophobicContact CD2-CD1 4.26Å; L57-F171 HydrophobicContact CD2-CE1 3.9Å
58W98.6Very high95.8Very high63 Ų6358 Ų5824%0.23929%0.285CS..EExtended strand (participates in β ladder)trans-108105.6-178.3-71.160.1000108.9K7 L8 V9 V10 F39 N41K7-W58 HydrophobicContact CD-CD2 4.5Å; K7-W58 VanDerWaalsContact CE-CE2 3.46Å; K7-W58 HydrophobicContact CG-CG 4.46Å; L8-W58 PolarHBondContact O-N 3.02Å; V9-W58 HydrophobicContact CB-CB 4.28Å; V9-W58 HydrophobicContact CG1-CB 4.33Å; V9-W58 HydrophobicContact CG2-CB 3.81Å; V9-W58 HydrophobicContact CG2-CG 4.21Å; V10-W58 PolarHBondContact N-O 3.19Å; F39-W58 HydrophobicContact CE1-CE3 4.45Å; F39-W58 HydrophobicContact CE1-CZ3 4.32Å; F39-W58 HydrophobicContact CE2-CB 4.26Å; F39-W58 HydrophobicContact CE2-CD2 4.05Å; F39-W58 AromaticContact CE2-CE3 3.32Å; F39-W58 HydrophobicContact CE2-CE3 3.32Å; F39-W58 HydrophobicContact CE2-CG 4.49Å; F39-W58 AromaticContact CE2-CZ3 3.9Å; F39-W58 HydrophobicContact CE2-CZ3 3.9Å; F39-W58 AromaticContact CZ-CD2 3.9Å; F39-W58 HydrophobicContact CZ-CD2 3.9Å; F39-W58 AromaticContact CZ-CE3 3.19Å; F39-W58 HydrophobicContact CZ-CE3 3.19Å; F39-W58 HydrophobicContact CZ-CH2 4.23Å; F39-W58 AromaticContact CZ-CZ3 3.37Å; F39-W58 HydrophobicContact CZ-CZ3 3.37Å; N41-W58 VanDerWaalsContact OD1-CD2 3.24Å
59D98.2Very high95.8Very high0 Ų062.4 Ų62.40%031%0.308CS..EExtended strand (participates in β ladder)trans-85.7136.5175.6-162.83.4000110.5T19 L22 T37 F39 E40 Y42T19-D59 VanDerWaalsContact CA-OD2 3.3Å; T19-D59 WeakPolarHBondContact CA-OD2 3.07Å; T19-D59 WeakPolarHBondContact CB-OD2 3.42Å; T19-D59 WeakPolarHBondContact CG2-OD2 3.32Å; T19-D59 PolarHBondContact OG1-OD2 2.74Å; L22-D59 HydrophobicContact CD1-CB 3.41Å; L22-D59 VanDerWaalsContact CD1-CB 3.41Å; T37-D59 HydrophobicContact CG2-CB 4.36Å; F39-D59 WeakPolarHBondContact CA-O 3.44Å; F39-D59 WeakPolarHBondContact CD2-O 3.22Å; E40-D59 HydrophobicContact CB-CB 4.21Å; E40-D59 PolarHBondContact N-O 3.19Å; E40-D59 VanDerWaalsContact N-O 3.17Å; E40-D59 PolarHBondContact O-N 2.87Å; Y42-D59 HydrophobicContact CE2-CB 4.23Å
60T98.2Very high96Very high2 Ų257.6 Ų57.61%0.01228%0.282CS..EExtended strand (participates in β ladder)trans-128.4151.1-173.973.30000113.1V9 V10 K18 G62 R70V9-T60 HydrophobicContact CG1-CG2 3.82Å; V10-T60 WeakPolarHBondContact O-CG2 3.29Å; V10-T60 PolarHBondContact O-OG1 3.28Å; K18-T60 WeakPolarHBondContact CE-O 3.32Å; T60-G62 PolarHBondContact O-N 2.92Å; T60-R70 HydrophobicContact CG2-CG 4.15Å
61A96.5Very high96.2Very high2 Ų255.5 Ų55.52%0.01726%0.257CS..  trans-61.1132.7170.500000112T37 V38 Y66 R70T37-A61 VanDerWaalsContact O-CA 3.22Å; T37-A61 WeakPolarHBondContact O-CA 3.43Å; T37-A61 WeakPolarHBondContact O-CB 3.23Å; V38-A61 WeakPolarHBondContact O-CB 3.34Å; V38-A61 PolarHBondContact O-N 3.06Å; A61-Y66 HydrophobicContact CB-CD1 4.33Å; A61-Y66 HydrophobicContact CB-CD2 3.52Å; A61-Y66 HydrophobicContact CB-CE2 4.33Å; A61-Y66 HydrophobicContact CB-CG 3.52Å; A61-R70 PolarHBondContact O-NE 3.22Å; A61-R70 PolarHBondContact O-NH2 3.49Å
62G94.4Very high96.4Very high8 Ų856.8 Ų56.88%0.08227%0.268CS..  trans-89.9-4.7171.600000114.7G12 G14 T60G12-G62 WeakPolarHBondContact O-CA 3.5Å; G14-G62 PolarHBondContact N-O 2.67Å; T60-G62 PolarHBondContact O-N 2.92Å
63Q92.5Very high96.5Very high70 Ų7052 Ų5233%0.32725%0.247SC..SBendtrans-83.1147.8-179.3-62.6173.873.900110.9P36 D65 Y66 R70P36-Q63 VanDerWaalsContact CB-NE2 3.3Å; Q63-D65 VanDerWaalsContact C-N 3.28Å; Q63-D65 PolarHBondContact O-N 3.42Å; Q63-Y66 HydrophobicContact CB-CD2 4.09Å; Q63-Y66 PolarHBondContact O-N 3.46Å; Q63-R70 PolarHBondContact O-NH2 3.1Å
64E91.6Very high96.5Very high136 Ų13652.1 Ų52.164%0.63625%0.247SC*.G310 helixtrans-65.8-28.8-179.2-68.9178.7177.500113.2Y66 D67 K98E64-Y66 PolarHBondContact O-N 3.45Å; E64-D67 VanDerWaalsContact O-CB 3.31Å; E64-D67 WeakPolarHBondContact O-CB 3.4Å; E64-D67 PolarHBondContact O-N 3.31Å; E64-K98 IonicContact OE1-NZ 3.36Å
65D94.5Very high96.5Very high139 Ų13953.1 Ų53.174%0.74326%0.258SS*.G310 helixtrans-55.3-22.6176.1-64-35.2000113Q63Q63-D65 VanDerWaalsContact C-N 3.28Å; Q63-D65 PolarHBondContact O-N 3.42Å
66Y95.1Very high96.4Very high62 Ų6260.2 Ų60.224%0.24330%0.296CS..G310 helixtrans-104.48.4-179.5-61.7-84.6000113.9V38 A61 Q63 E64 R68 L69 R70V38-Y66 HydrophobicContact CB-CE1 4.14Å; V38-Y66 HydrophobicContact CG1-CD1 3.91Å; V38-Y66 HydrophobicContact CG1-CE1 3.47Å; V38-Y66 VanDerWaalsContact CG1-CE1 3.47Å; V38-Y66 HydrophobicContact CG2-CE1 3.9Å; V38-Y66 WeakPolarHBondContact CG2-OH 3.37Å; A61-Y66 HydrophobicContact CB-CD1 4.33Å; A61-Y66 HydrophobicContact CB-CD2 3.52Å; A61-Y66 HydrophobicContact CB-CE2 4.33Å; A61-Y66 HydrophobicContact CB-CG 3.52Å; Q63-Y66 HydrophobicContact CB-CD2 4.09Å; Q63-Y66 PolarHBondContact O-N 3.46Å; E64-Y66 PolarHBondContact O-N 3.45Å; Y66-R68 PolarHBondContact O-N 2.96Å; Y66-R68 VanDerWaalsContact O-N 3.1Å; Y66-L69 HydrophobicContact CD1-CD1 3.95Å; Y66-L69 HydrophobicContact CE1-CD1 4.46Å; Y66-L69 PolarHBondContact O-N 3.4Å; Y66-R70 PolarHBondContact O-N 2.88Å
67D95.8Very high96.4Very high58 Ų5860 Ų6031%0.3129%0.294SS..THydrogen-bonded Turntrans-57.4-28.7-178.8-77.1-8.8000113E64 R70 P71E64-D67 VanDerWaalsContact O-CB 3.31Å; E64-D67 WeakPolarHBondContact O-CB 3.4Å; E64-D67 PolarHBondContact O-N 3.31Å; D67-R70 IonicContact OD1-CZ 2.76Å; D67-R70 VanDerWaalsContact OD1-CZ 3.28Å; D67-R70 IonicContact OD1-NH1 3.51Å; D67-R70 PolarHBondContact OD1-NH1 2.96Å; D67-R70 IonicContact OD1-NH2 2.89Å; D67-R70 PolarHBondContact OD1-NH2 3.14Å; D67-P71 WeakPolarHBondContact O-CD 3.26Å; D67-P71 WeakPolarHBondContact O-CG 3.3Å
68R95Very high96.4Very high233 Ų23361.6 Ų61.688%0.87930%0.302SS*.THydrogen-bonded Turntrans-82.7-22.4176.1-64.8-175.1-179.8-179.71.1114Y66Y66-R68 PolarHBondContact O-N 2.96Å; Y66-R68 VanDerWaalsContact O-N 3.1Å
69L95.5Very high96.4Very high97 Ų9758.6 Ų58.651%0.50829%0.291SS..THydrogen-bonded Turntrans-95-37.2-177.3-68.7176.6000111.9Y66 P71 L72Y66-L69 HydrophobicContact CD1-CD1 3.95Å; Y66-L69 HydrophobicContact CE1-CD1 4.46Å; Y66-L69 PolarHBondContact O-N 3.4Å; L69-P71 VanDerWaalsContact C-N 3.28Å; L69-L72 HydrophobicContact CD2-CD1 4.22Å; L69-L72 VanDerWaalsContact O-CB 3.27Å; L69-L72 WeakPolarHBondContact O-CB 3.32Å; L69-L72 WeakPolarHBondContact O-CG 3.38Å; L69-L72 PolarHBondContact O-N 2.95Å
70R97.4Very high96.5Very high7 Ų758.6 Ų58.63%0.02629%0.291CS..G310 helixtrans-50.3-40.1179.4-169-178.4-38.1105.33.8113.6T60 A61 Q63 Y66 D67 L72 S73 Y74 E102T60-R70 HydrophobicContact CG2-CG 4.15Å; A61-R70 PolarHBondContact O-NE 3.22Å; A61-R70 PolarHBondContact O-NH2 3.49Å; Q63-R70 PolarHBondContact O-NH2 3.1Å; Y66-R70 PolarHBondContact O-N 2.88Å; D67-R70 IonicContact OD1-CZ 2.76Å; D67-R70 VanDerWaalsContact OD1-CZ 3.28Å; D67-R70 IonicContact OD1-NH1 3.51Å; D67-R70 PolarHBondContact OD1-NH1 2.96Å; D67-R70 IonicContact OD1-NH2 2.89Å; D67-R70 PolarHBondContact OD1-NH2 3.14Å; R70-L72 PolarHBondContact O-N 3.27Å; R70-L72 VanDerWaalsContact O-N 3.11Å; R70-S73 VanDerWaalsContact O-CB 3.31Å; R70-S73 WeakPolarHBondContact O-CB 3.37Å; R70-S73 PolarHBondContact O-N 3.39Å; R70-Y74 WeakPolarHBondContact CD-OH 3.37Å; R70-E102 WeakPolarHBondContact CD-OE1 3.21Å; R70-E102 IonicContact CZ-OE1 3.06Å; R70-E102 VanDerWaalsContact NH1-CD 3.3Å; R70-E102 IonicContact NH1-OE1 3.93Å; R70-E102 PolarHBondContact NH1-OE1 3.33Å; R70-E102 IonicContact NH1-OE2 3.28Å; R70-E102 PolarHBondContact NH1-OE2 2.74Å
71P97.7Very high96.5Very high19 Ų1958.5 Ų58.512%0.12329%0.29CS..G310 helixtrans-62.1-20.6179.6-27.637.9000115.6D67 L69 S73 Y74 F106D67-P71 WeakPolarHBondContact O-CD 3.26Å; D67-P71 WeakPolarHBondContact O-CG 3.3Å; L69-P71 VanDerWaalsContact C-N 3.28Å; P71-S73 PolarHBondContact O-N 2.89Å; P71-Y74 VanDerWaalsContact CA-CD2 3.46Å; P71-Y74 HydrophobicContact CB-CD2 4.05Å; P71-Y74 HydrophobicContact CB-CE2 4.27Å; P71-Y74 HydrophobicContact CG-CE2 4.38Å; P71-Y74 PolarHBondContact O-N 2.88Å; P71-Y74 VanDerWaalsContact O-N 3.12Å; P71-F106 HydrophobicContact CB-CD1 4.11Å; P71-F106 HydrophobicContact CB-CD2 4.05Å; P71-F106 HydrophobicContact CB-CE1 3.7Å; P71-F106 HydrophobicContact CB-CE2 3.64Å; P71-F106 HydrophobicContact CB-CG 4.29Å; P71-F106 HydrophobicContact CB-CZ 3.45Å; P71-F106 VanDerWaalsContact CB-CZ 3.45Å; P71-F106 HydrophobicContact CG-CD2 4.24Å; P71-F106 HydrophobicContact CG-CE1 4.36Å; P71-F106 HydrophobicContact CG-CE2 3.52Å; P71-F106 HydrophobicContact CG-CZ 3.6Å
72L96.7Very high96.6Very high126 Ų12658.4 Ų58.466%0.6629%0.289SS*.G310 helixtrans-64.4-18.7174.6-59.3179.9000112.4L69 R70 P75L69-L72 HydrophobicContact CD2-CD1 4.22Å; L69-L72 VanDerWaalsContact O-CB 3.27Å; L69-L72 WeakPolarHBondContact O-CB 3.32Å; L69-L72 WeakPolarHBondContact O-CG 3.38Å; L69-L72 PolarHBondContact O-N 2.95Å; R70-L72 PolarHBondContact O-N 3.27Å; R70-L72 VanDerWaalsContact O-N 3.11Å; L72-P75 WeakPolarHBondContact O-CD 3.36Å
73S97.7Very high96.8Very high7 Ų758 Ų585%0.04929%0.286CS..G310 helixtrans-81.2-16.2176-61.20000113.6K7 V9 F39 R70 P71K7-S73 WeakPolarHBondContact CE-O 3.43Å; K7-S73 PolarHBondContact NZ-O 3Å; V9-S73 WeakPolarHBondContact CG2-O 3.41Å; F39-S73 WeakPolarHBondContact CD2-OG 3.45Å; F39-S73 VanDerWaalsContact CE2-OG 3.28Å; F39-S73 WeakPolarHBondContact CE2-OG 3.48Å; R70-S73 VanDerWaalsContact O-CB 3.31Å; R70-S73 WeakPolarHBondContact O-CB 3.37Å; R70-S73 PolarHBondContact O-N 3.39Å; P71-S73 PolarHBondContact O-N 2.89Å
74Y98.5Very high97.1Very high5 Ų554.7 Ų54.72%0.0227%0.27CS..  trans-80.9-26.5-171.7-64.4-31.7000118.2V9 V11 R70 P71 D76 T77 I80 E102 F106V9-Y74 HydrophobicContact CG1-CD1 3.99Å; V9-Y74 HydrophobicContact CG1-CE1 3.84Å; V11-Y74 HydrophobicContact CG1-CE1 3.7Å; V11-Y74 VanDerWaalsContact CG1-OH 3.29Å; V11-Y74 WeakPolarHBondContact CG1-OH 3.2Å; R70-Y74 WeakPolarHBondContact CD-OH 3.37Å; P71-Y74 VanDerWaalsContact CA-CD2 3.46Å; P71-Y74 HydrophobicContact CB-CD2 4.05Å; P71-Y74 HydrophobicContact CB-CE2 4.27Å; P71-Y74 HydrophobicContact CG-CE2 4.38Å; P71-Y74 PolarHBondContact O-N 2.88Å; P71-Y74 VanDerWaalsContact O-N 3.12Å; Y74-D76 PolarHBondContact O-N 2.69Å; Y74-T77 WeakPolarHBondContact O-CB 3.34Å; Y74-T77 PolarHBondContact O-N 3.06Å; Y74-T77 PolarHBondContact O-OG1 3.32Å; Y74-I80 HydrophobicContact CD1-CD1 4.48Å; Y74-E102 HydrophobicContact CE2-CG 4.02Å; Y74-E102 WeakPolarHBondContact CE2-OE1 3.22Å; Y74-E102 PolarHBondContact OH-OE1 3.47Å; Y74-F106 HydrophobicContact CD2-CB 3.36Å; Y74-F106 HydrophobicContact CD2-CD1 4.46Å; Y74-F106 AromaticContact CD2-CD2 3.56Å; Y74-F106 HydrophobicContact CD2-CD2 3.56Å; Y74-F106 HydrophobicContact CD2-CE2 4.49Å; Y74-F106 AromaticContact CD2-CG 3.55Å; Y74-F106 HydrophobicContact CD2-CG 3.55Å; Y74-F106 HydrophobicContact CE2-CB 4.21Å; Y74-F106 AromaticContact CE2-CD2 3.69Å; Y74-F106 HydrophobicContact CE2-CD2 3.69Å; Y74-F106 HydrophobicContact CE2-CE2 4.43Å; Y74-F106 HydrophobicContact CE2-CG 4.18Å; Y74-F106 HydrophobicContact CG-CB 3.98Å
75P97.5Very high97.5Very high74 Ų7448.3 Ų48.348%0.48124%0.24SC..THydrogen-bonded Turntrans-51.6137.7177.7-29.436.5000112.3K7 L72 T77K7-P75 WeakPolarHBondContact CE-O 3.41Å; K7-P75 PolarHBondContact NZ-O 3.4Å; L72-P75 WeakPolarHBondContact O-CD 3.36Å; P75-T77 PolarHBondContact O-N 3.17Å; P75-T77 VanDerWaalsContact O-N 3.16Å
76D96.4Very high97.7Very high148 Ų14841.7 Ų41.779%0.79121%0.205SC*.THydrogen-bonded Turntrans6020.2178-49.7-47.9000115.6Y74 D78Y74-D76 PolarHBondContact O-N 2.69Å; D76-D78 PolarHBondContact O-N 3.06Å
77T98.5Very high97.9Very high3 Ų340.7 Ų40.72%0.01820%0.204CC..  trans-66.4131.7177.2-57.20000111.6V9 Y74 P75 V79 I80 V110 R182V9-T77 HydrophobicContact CB-CG2 4.09Å; V9-T77 HydrophobicContact CG2-CG2 3.72Å; V9-T77 VanDerWaalsContact CG2-OG1 3.23Å; V9-T77 WeakPolarHBondContact CG2-OG1 3.49Å; Y74-T77 WeakPolarHBondContact O-CB 3.34Å; Y74-T77 PolarHBondContact O-N 3.06Å; Y74-T77 PolarHBondContact O-OG1 3.32Å; P75-T77 PolarHBondContact O-N 3.17Å; P75-T77 VanDerWaalsContact O-N 3.16Å; T77-V79 WeakPolarHBondContact CG2-O 3.31Å; T77-I80 HydrophobicContact CG2-CD1 3.74Å; T77-I80 HydrophobicContact CG2-CG1 4.31Å; T77-V110 HydrophobicContact CG2-CG1 4.01Å; T77-R182 PolarHBondContact O-NH2 2.92Å
78D98.5Very high98Very high34 Ų3439.8 Ų39.818%0.18220%0.202CC..SBendtrans-90.4-35.3177.3-69.8-80000113K6 K7 D76 P111 A178 R182K6-D78 WeakPolarHBondContact CA-OD2 3.34Å; K6-D78 HydrophobicContact CB-CB 4.41Å; K6-D78 HydrophobicContact CD-CB 3.77Å; K6-D78 WeakPolarHBondContact CD-OD1 3.34Å; K6-D78 WeakPolarHBondContact CD-OD2 3.39Å; K6-D78 IonicContact NZ-OD1 2.88Å; K6-D78 PolarHBondContact NZ-OD1 2.93Å; K7-D78 PolarHBondContact N-OD2 3.38Å; K7-D78 WeakPolarHBondContact O-CA 3.37Å; K7-D78 WeakPolarHBondContact O-CB 3.34Å; K7-D78 PolarHBondContact O-N 2.94Å; D76-D78 PolarHBondContact O-N 3.06Å; D78-P111 WeakPolarHBondContact O-CD 3.45Å; D78-A178 HydrophobicContact CB-CB 3.92Å; D78-R182 PolarHBondContact O-NH2 2.93Å
79V98.8Very high98.2Very high0 Ų029.5 Ų29.50%017%0.166CC..EExtended strand (participates in β ladder)trans-149.8147.9178.762.70000111.2K7 L8 V9 T77 P111 I113 A174 A177 A178K7-V79 PolarHBondContact O-N 2.83Å; L8-V79 WeakPolarHBondContact CA-O 3.32Å; L8-V79 HydrophobicContact CB-CG1 3.79Å; L8-V79 HydrophobicContact CD1-CG1 3.97Å; L8-V79 HydrophobicContact CG-CG1 3.84Å; V9-V79 PolarHBondContact N-O 3.12Å; T77-V79 WeakPolarHBondContact CG2-O 3.31Å; V79-P111 HydrophobicContact CB-CG 4.3Å; V79-P111 HydrophobicContact CG2-CG 4.2Å; V79-I113 HydrophobicContact CG2-CD1 4.48Å; V79-I113 HydrophobicContact CG2-CG1 4.05Å; V79-A174 HydrophobicContact CG1-CB 4.27Å; V79-A174 HydrophobicContact CG2-CB 4.14Å; V79-A177 HydrophobicContact CG2-CB 4.26Å; V79-A178 HydrophobicContact CB-CB 3.93Å; V79-A178 HydrophobicContact CG1-CB 3.82Å
80I98.9Very high98.3Very high0 Ų028.5 Ų28.50%016%0.161CC..EExtended strand (participates in β ladder)trans-107.7130.4174-61.9-71.7000109.4V9 V11 Y74 T77 M82 V103 V110 P111 I112 I113V9-I80 HydrophobicContact CB-CD1 3.98Å; V9-I80 WeakPolarHBondContact O-CA 3.46Å; V11-I80 HydrophobicContact CG2-CG2 3.87Å; Y74-I80 HydrophobicContact CD1-CD1 4.48Å; T77-I80 HydrophobicContact CG2-CD1 3.74Å; T77-I80 HydrophobicContact CG2-CG1 4.31Å; I80-M82 HydrophobicContact CG2-CB 4.28Å; I80-V103 HydrophobicContact CB-CG1 4.45Å; I80-V103 HydrophobicContact CD1-CG1 4.33Å; I80-V103 HydrophobicContact CG1-CG1 3.8Å; I80-V103 HydrophobicContact CG2-CG1 4.31Å; I80-V103 HydrophobicContact CG2-CG2 4.25Å; I80-V110 HydrophobicContact CG1-CB 4.41Å; I80-V110 HydrophobicContact CG1-CG1 3.87Å; I80-P111 PolarHBondContact N-O 2.84Å; I80-I112 HydrophobicContact CB-CG1 4.1Å; I80-I112 HydrophobicContact CG2-CG1 4.38Å; I80-I113 PolarHBondContact O-N 3.45Å
81L98.9Very high98.4Very high0 Ų028.2 Ų28.20%016%0.16CC..EExtended strand (participates in β ladder)trans-93.6115.4157.5-66.3-170.8000108.3L8 V9 V10 V11 L21 I113 V115 V170 F171 A174L8-L81 HydrophobicContact CD1-CD1 4.01Å; L8-L81 HydrophobicContact CD1-CD2 4.45Å; L8-L81 HydrophobicContact CD1-CG 3.91Å; L8-L81 HydrophobicContact CD2-CB 4.43Å; L8-L81 HydrophobicContact CD2-CD1 3.88Å; L8-L81 HydrophobicContact CD2-CG 3.83Å; L8-L81 HydrophobicContact CG-CD1 4.39Å; L8-L81 HydrophobicContact CG-CG 4.04Å; V9-L81 PolarHBondContact O-N 2.91Å; V10-L81 CarbonylContact C-O 3.44Å; V10-L81 WeakPolarHBondContact CA-O 3.46Å; V10-L81 HydrophobicContact CB-CB 4.4Å; V10-L81 HydrophobicContact CG1-CB 4.02Å; V10-L81 HydrophobicContact CG2-CB 4.14Å; V10-L81 HydrophobicContact CG2-CD1 4.22Å; V11-L81 PolarHBondContact N-O 2.99Å; L21-L81 HydrophobicContact CD2-CD1 4.27Å; L81-I113 HydrophobicContact CD2-CB 3.68Å; L81-I113 HydrophobicContact CD2-CG1 3.91Å; L81-I113 HydrophobicContact CD2-CG2 4.26Å; L81-V115 HydrophobicContact CD2-CG2 4.07Å; L81-V170 HydrophobicContact CD1-CG1 3.79Å; L81-V170 HydrophobicContact CD2-CG1 3.91Å; L81-F171 HydrophobicContact CD1-CE1 3.98Å; L81-F171 HydrophobicContact CD1-CZ 4.19Å; L81-A174 HydrophobicContact CD2-CB 3.74Å
82M98.9Very high98.4Very high0 Ų028 Ų280%016%0.158CC..EExtended strand (participates in β ladder)trans-104.3109.1176.7-174.6173.6-70.400108V11 I80 I95 W99 V100 V103 I112 I113 L114 V115 I151V11-M82 HydrophobicContact CG2-CB 4.18Å; V11-M82 HydrophobicContact CG2-CE 4.29Å; V11-M82 HydrophobicContact CG2-CG 4.14Å; I80-M82 HydrophobicContact CG2-CB 4.28Å; M82-I95 HydrophobicContact CG-CD1 3.72Å; M82-I95 HydrophobicContact CG-CG2 4.5Å; M82-I95 HydrophobicContact SD-CD1 4.21Å; M82-I95 HydrophobicContact SD-CG2 3.68Å; M82-W99 HydrophobicContact CE-CB 4Å; M82-W99 HydrophobicContact CG-CB 4.22Å; M82-W99 HydrophobicContact SD-CB 3.96Å; M82-V100 HydrophobicContact CE-CG2 4.01Å; M82-V100 HydrophobicContact SD-CG2 3.71Å; M82-V103 HydrophobicContact CE-CB 3.95Å; M82-V103 HydrophobicContact CE-CG1 4.38Å; M82-V103 HydrophobicContact CE-CG2 3.71Å; M82-I112 HydrophobicContact CB-CG2 3.65Å; M82-I112 HydrophobicContact CE-CD1 4.02Å; M82-I112 HydrophobicContact CE-CG2 4.07Å; M82-I112 HydrophobicContact SD-CG2 4.15Å; M82-I113 PolarHBondContact N-O 2.85Å; M82-L114 HydrophobicContact CG-CD1 4.34Å; M82-L114 WeakPolarHBondContact O-CA 3.27Å; M82-L114 WeakPolarHBondContact O-CD1 3.3Å; M82-V115 PolarHBondContact O-N 3.49Å; M82-I151 HydrophobicContact SD-CD1 4.07Å
83C99Very high98.5Very high0 Ų027.5 Ų27.50%015%0.152CC..EExtended strand (participates in β ladder)trans-106138.8-169.4-66.20000112.2V11 G12 K18 V115V11-C83 PolarHBondContact O-N 2.75Å; G12-C83 VanDerWaalsContact CA-O 3.26Å; G12-C83 WeakPolarHBondContact CA-O 3.36Å; K18-C83 HydrophobicContact CG-CB 4.03Å; C83-V115 WeakPolarHBondContact CA-O 3.5Å
84F98.9Very high98.6Very high0 Ų029.5 Ų29.50%016%0.162CC..EExtended strand (participates in β ladder)trans-127.2173.5160.273.3-86.4000108.4S91 L92 I95 L114 V115 A116 N117 V139 Y156F84-S91 WeakPolarHBondContact CB-O 3.48Å; F84-S91 WeakPolarHBondContact CB-OG 3.17Å; F84-L92 HydrophobicContact CD1-CD1 3.78Å; F84-L92 HydrophobicContact CD2-CB 3.9Å; F84-L92 HydrophobicContact CD2-CD1 4.19Å; F84-L92 HydrophobicContact CE1-CD1 3.67Å; F84-L92 HydrophobicContact CE2-CB 4.27Å; F84-L92 HydrophobicContact CE2-CD1 4.12Å; F84-L92 HydrophobicContact CG-CB 4.17Å; F84-L92 HydrophobicContact CG-CD1 4.02Å; F84-L92 HydrophobicContact CZ-CD1 3.84Å; F84-I95 HydrophobicContact CB-CD1 4.29Å; F84-I95 HydrophobicContact CB-CG1 4.34Å; F84-L114 HydrophobicContact CD1-CD1 3.94Å; F84-L114 HydrophobicContact CD1-CG 4.29Å; F84-L114 HydrophobicContact CE1-CD1 4.2Å; F84-L114 HydrophobicContact CE1-CD2 4.26Å; F84-L114 HydrophobicContact CE1-CG 4.04Å; F84-V115 WeakPolarHBondContact CD1-O 3.41Å; F84-V115 PolarHBondContact N-O 2.64Å; F84-A116 HydrophobicContact CE1-CB 3.72Å; F84-A116 HydrophobicContact CE2-CB 3.73Å; F84-A116 HydrophobicContact CZ-CB 3.24Å; F84-N117 WeakPolarHBondContact O-CB 3.38Å; F84-N117 PolarHBondContact O-N 2.77Å; F84-V139 HydrophobicContact CD2-CG2 4.47Å; F84-V139 HydrophobicContact CE2-CB 4.03Å; F84-V139 HydrophobicContact CE2-CG1 3.7Å; F84-V139 HydrophobicContact CE2-CG2 4.13Å; F84-V139 HydrophobicContact CZ-CG1 4.16Å; F84-Y156 AromaticContact CE1-CE2 3.92Å; F84-Y156 HydrophobicContact CE1-CE2 3.92Å; F84-Y156 HydrophobicContact CZ-CE2 4.02Å
85S98.9Very high98.6Very high2 Ų229.2 Ų29.21%0.01416%0.161CC..EExtended strand (participates in β ladder)trans-118.6141.4175.267.10000112.8D87 S88 S91 N117 K118S85-D87 WeakPolarHBondContact CB-OD1 3.31Å; S85-D87 PolarHBondContact O-N 2.89Å; S85-D87 PolarHBondContact OG-OD1 2.88Å; S85-S88 CarbonylContact O-C 3.58Å; S85-S88 PolarHBondContact O-N 2.98Å; S85-S88 WeakPolarHBondContact OG-CB 3.39Å; S85-S91 PolarHBondContact N-OG 3.49Å; S85-S91 PolarHBondContact O-OG 3.01Å; S85-N117 WeakPolarHBondContact CA-O 3.49Å; S85-K118 PolarHBondContact OG-NZ 2.87Å
86V98.9Very high98.6Very high0 Ų026.8 Ų26.80%015%0.145CC..THydrogen-bonded Turntrans-61.2-30.1-176.6169.40000112.6S88 A116 N117 R122 P138 V139V86-S88 VanDerWaalsContact C-N 3.28Å; V86-S88 PolarHBondContact O-N 2.85Å; V86-A116 HydrophobicContact CG2-CB 3.93Å; V86-N117 WeakPolarHBondContact CG2-O 3.44Å; V86-N117 PolarHBondContact N-O 3.27Å; V86-R122 HydrophobicContact CG1-CB 3.8Å; V86-R122 HydrophobicContact CG1-CG 4.22Å; V86-P138 HydrophobicContact CG1-CB 4.02Å; V86-P138 CarbonylContact O-C 3.36Å; V86-P138 VanDerWaalsContact O-CA 3.31Å; V86-P138 WeakPolarHBondContact O-CA 3.42Å; V86-V139 PolarHBondContact O-N 3.46Å
87D98.6Very high98.7Very high41 Ų4126.7 Ų26.722%0.21914%0.14CC..THydrogen-bonded Turntrans-81.41.1176.667.6-25.7000114.2S85 K118 L121 V127S85-D87 WeakPolarHBondContact CB-OD1 3.31Å; S85-D87 PolarHBondContact O-N 2.89Å; S85-D87 PolarHBondContact OG-OD1 2.88Å; D87-K118 VanDerWaalsContact CG-NZ 3.34Å; D87-K118 WeakPolarHBondContact OD1-CD 3.47Å; D87-K118 IonicContact OD1-NZ 3.7Å; D87-K118 PolarHBondContact OD1-NZ 2.87Å; D87-K118 WeakPolarHBondContact OD2-CD 3.41Å; D87-K118 IonicContact OD2-NZ 3.59Å; D87-K118 PolarHBondContact OD2-NZ 3.03Å; D87-L121 HydrophobicContact CB-CB 4.17Å; D87-L121 HydrophobicContact CB-CD1 3.76Å; D87-L121 WeakPolarHBondContact OD2-CD1 3.4Å; D87-V127 HydrophobicContact CB-CG1 3.72Å
88S98.6Very high98.7Very high40 Ų4028.4 Ų28.428%0.2815%0.147SC..  trans-136.189.9-178.7-179.40000110.5S85 V86 D90 S91S85-S88 CarbonylContact O-C 3.58Å; S85-S88 PolarHBondContact O-N 2.98Å; S85-S88 WeakPolarHBondContact OG-CB 3.39Å; V86-S88 VanDerWaalsContact C-N 3.28Å; V86-S88 PolarHBondContact O-N 2.85Å; S88-D90 VanDerWaalsContact C-N 3.27Å; S88-D90 PolarHBondContact O-N 3.27Å; S88-S91 WeakPolarHBondContact O-CB 3.46Å; S88-S91 PolarHBondContact O-N 2.88Å; S88-S91 PolarHBondContact O-OG 3.28Å
89P98.7Very high98.7Very high17 Ų1726.8 Ų26.811%0.1114%0.138CC..Hα-helixtrans-55.1-40.6177.7-29.639.4000113.5S91 L92 E93 L131 Q136 E137 V139P89-S91 PolarHBondContact O-N 2.93Å; P89-S91 VanDerWaalsContact O-N 3.17Å; P89-L92 WeakPolarHBondContact O-CA 3.22Å; P89-L92 WeakPolarHBondContact O-CB 3.18Å; P89-L92 PolarHBondContact O-N 2.85Å; P89-E93 PolarHBondContact O-N 2.77Å; P89-E93 VanDerWaalsContact O-N 3.16Å; P89-L131 HydrophobicContact CG-CD2 4.35Å; P89-Q136 HydrophobicContact CG-CB 4.23Å; P89-E137 VanDerWaalsContact CG-O 3.22Å; P89-E137 WeakPolarHBondContact CG-O 3.4Å; P89-V139 HydrophobicContact CB-CG2 4.39Å; P89-V139 HydrophobicContact CG-CG2 4.37Å
90D98.3Very high98.7Very high76 Ų7627.4 Ų27.441%0.40614%0.142SC..Hα-helixtrans-54.6-36.6176.2-57.44.2000111.7S88 L92 E93 N94 Q136S88-D90 VanDerWaalsContact C-N 3.27Å; S88-D90 PolarHBondContact O-N 3.27Å; D90-L92 VanDerWaalsContact C-N 3.25Å; D90-L92 PolarHBondContact O-N 3.43Å; D90-E93 PolarHBondContact O-N 2.83Å; D90-E93 VanDerWaalsContact O-N 3.1Å; D90-N94 WeakPolarHBondContact O-CB 3.18Å; D90-N94 VanDerWaalsContact O-CG 3.28Å; D90-N94 PolarHBondContact O-N 2.94Å; D90-N94 PolarHBondContact O-ND2 2.88Å; D90-Q136 PolarHBondContact OD1-NE2 3.32Å
91S98.8Very high98.7Very high1 Ų130.7 Ų30.71%0.00716%0.164CC..Hα-helixtrans-67-24.7178.475.20000113.9D13 F84 S85 S88 P89 I95D13-S91 VanDerWaalsContact OD2-CA 3.29Å; D13-S91 WeakPolarHBondContact OD2-CA 3.39Å; F84-S91 WeakPolarHBondContact CB-O 3.48Å; F84-S91 WeakPolarHBondContact CB-OG 3.17Å; S85-S91 PolarHBondContact N-OG 3.49Å; S85-S91 PolarHBondContact O-OG 3.01Å; S88-S91 WeakPolarHBondContact O-CB 3.46Å; S88-S91 PolarHBondContact O-N 2.88Å; S88-S91 PolarHBondContact O-OG 3.28Å; P89-S91 PolarHBondContact O-N 2.93Å; P89-S91 VanDerWaalsContact O-N 3.17Å; S91-I95 WeakPolarHBondContact O-CG1 3.42Å
92L98.9Very high98.6Very high15 Ų1532 Ų328%0.07917%0.17CC..Hα-helixtrans-77.1-41.5169.3-179.766.2000110.9F84 P89 D90 N94 I95 V139 D143 M147F84-L92 HydrophobicContact CD1-CD1 3.78Å; F84-L92 HydrophobicContact CD2-CB 3.9Å; F84-L92 HydrophobicContact CD2-CD1 4.19Å; F84-L92 HydrophobicContact CE1-CD1 3.67Å; F84-L92 HydrophobicContact CE2-CB 4.27Å; F84-L92 HydrophobicContact CE2-CD1 4.12Å; F84-L92 HydrophobicContact CG-CB 4.17Å; F84-L92 HydrophobicContact CG-CD1 4.02Å; F84-L92 HydrophobicContact CZ-CD1 3.84Å; P89-L92 WeakPolarHBondContact O-CA 3.22Å; P89-L92 WeakPolarHBondContact O-CB 3.18Å; P89-L92 PolarHBondContact O-N 2.85Å; D90-L92 VanDerWaalsContact C-N 3.25Å; D90-L92 PolarHBondContact O-N 3.43Å; L92-N94 VanDerWaalsContact C-N 3.27Å; L92-N94 PolarHBondContact O-N 3.46Å; L92-I95 HydrophobicContact CD1-CG1 4.34Å; L92-I95 VanDerWaalsContact O-CB 3.22Å; L92-I95 WeakPolarHBondContact O-CB 3.3Å; L92-I95 WeakPolarHBondContact O-CG1 2.93Å; L92-I95 PolarHBondContact O-N 3.32Å; L92-I95 VanDerWaalsContact O-N 3.11Å; L92-V139 HydrophobicContact CB-CG2 4.4Å; L92-V139 HydrophobicContact CD2-CG1 3.68Å; L92-V139 HydrophobicContact CD2-CG2 4.49Å; L92-D143 HydrophobicContact CD2-CB 4.15Å; L92-M147 HydrophobicContact CD1-CB 3.76Å; L92-M147 HydrophobicContact CD1-CE 4.26Å; L92-M147 HydrophobicContact CD1-CG 3.69Å; L92-M147 HydrophobicContact CG-CE 4.05Å; L92-M147 HydrophobicContact CG-CG 4.47Å
93E98.6Very high98.6Very high114 Ų11432 Ų3253%0.53317%0.17SC..Hα-helixtrans-61.9-36.5179.1-65.1-178.9178.100111.9P89 D90 I95 P96P89-E93 PolarHBondContact O-N 2.77Å; P89-E93 VanDerWaalsContact O-N 3.16Å; D90-E93 PolarHBondContact O-N 2.83Å; D90-E93 VanDerWaalsContact O-N 3.1Å; E93-I95 PolarHBondContact O-N 2.92Å; E93-P96 WeakPolarHBondContact O-CD 3.33Å; E93-P96 WeakPolarHBondContact O-CG 3.41Å
94N98.8Very high98.6Very high49 Ų4936.2 Ų36.226%0.26219%0.188SC..Hα-helixtrans-68.2-16.3176.2-71.6-26.5000113.8D13 D90 L92 E97 K98 W99D13-N94 PolarHBondContact OD2-ND2 3.16Å; D90-N94 WeakPolarHBondContact O-CB 3.18Å; D90-N94 VanDerWaalsContact O-CG 3.28Å; D90-N94 PolarHBondContact O-N 2.94Å; D90-N94 PolarHBondContact O-ND2 2.88Å; L92-N94 VanDerWaalsContact C-N 3.27Å; L92-N94 PolarHBondContact O-N 3.46Å; N94-E97 PolarHBondContact O-N 2.99Å; N94-K98 WeakPolarHBondContact O-CB 3.18Å; N94-K98 PolarHBondContact O-N 2.88Å; N94-W99 PolarHBondContact O-N 3.36Å
95I98.8Very high98.5Very high0 Ų042.8 Ų42.80%022%0.219CC..Iπ-helixtrans-56.3-60.9179.3-66.5-55.2000111.8M82 F84 S91 L92 E93 E97 W99 V100 L114 M147 I151M82-I95 HydrophobicContact CG-CD1 3.72Å; M82-I95 HydrophobicContact CG-CG2 4.5Å; M82-I95 HydrophobicContact SD-CD1 4.21Å; M82-I95 HydrophobicContact SD-CG2 3.68Å; F84-I95 HydrophobicContact CB-CD1 4.29Å; F84-I95 HydrophobicContact CB-CG1 4.34Å; S91-I95 WeakPolarHBondContact O-CG1 3.42Å; L92-I95 HydrophobicContact CD1-CG1 4.34Å; L92-I95 VanDerWaalsContact O-CB 3.22Å; L92-I95 WeakPolarHBondContact O-CB 3.3Å; L92-I95 WeakPolarHBondContact O-CG1 2.93Å; L92-I95 PolarHBondContact O-N 3.32Å; L92-I95 VanDerWaalsContact O-N 3.11Å; E93-I95 PolarHBondContact O-N 2.92Å; I95-E97 VanDerWaalsContact C-N 3.33Å; I95-E97 PolarHBondContact O-N 2.93Å; I95-W99 HydrophobicContact CD1-CB 4.43Å; I95-W99 HydrophobicContact CD1-CG 4.37Å; I95-W99 PolarHBondContact O-N 3.09Å; I95-V100 HydrophobicContact CG2-CG2 3.99Å; I95-V100 WeakPolarHBondContact O-CB 3.36Å; I95-V100 VanDerWaalsContact O-CG2 3.32Å; I95-V100 WeakPolarHBondContact O-CG2 3.49Å; I95-V100 PolarHBondContact O-N 2.94Å; I95-L114 HydrophobicContact CD1-CD1 4.2Å; I95-L114 HydrophobicContact CG1-CD1 4.11Å; I95-L114 HydrophobicContact CG2-CD1 4.08Å; I95-M147 HydrophobicContact CB-CG 4.4Å; I95-M147 HydrophobicContact CG2-CG 4.09Å; I95-M147 HydrophobicContact CG2-SD 4.49Å; I95-I151 HydrophobicContact CG2-CD1 3.81Å; I95-I151 HydrophobicContact CG2-CG2 4.13Å
96P98.6Very high98.5Very high23 Ų2347.2 Ų47.215%0.14924%0.238CC..Iπ-helixtrans-72.2-24.5179.428.7-37.4000113.7E93 P101 M147 I151E93-P96 WeakPolarHBondContact O-CD 3.33Å; E93-P96 WeakPolarHBondContact O-CG 3.41Å; P96-P101 VanDerWaalsContact O-CD 3.26Å; P96-P101 WeakPolarHBondContact O-CD 3.37Å; P96-M147 HydrophobicContact CB-SD 4.34Å; P96-M147 VanDerWaalsContact CD-SD 3.59Å; P96-M147 HydrophobicContact CG-CE 3.85Å; P96-M147 HydrophobicContact CG-SD 3.82Å; P96-I151 HydrophobicContact CB-CG2 4.44Å
97E97.7Very high98.4Very high146 Ų14647.5 Ų47.568%0.68224%0.24SC*.Iπ-helixtrans-85.1-35.7-173.4-62.9-171.2173.800113N94 I95N94-E97 PolarHBondContact O-N 2.99Å; I95-E97 VanDerWaalsContact C-N 3.33Å; I95-E97 PolarHBondContact O-N 2.93Å
98K98.1Very high98.2Very high38 Ų3849.9 Ų49.917%0.16526%0.257CS..Iπ-helixtrans-118.7-59.1-174.9178.4178.2-179.1171.50112.4E64 N94 P101 E102E64-K98 IonicContact OE1-NZ 3.36Å; N94-K98 WeakPolarHBondContact O-CB 3.18Å; N94-K98 PolarHBondContact O-N 2.88Å; K98-P101 WeakPolarHBondContact O-CD 3.23Å; K98-E102 PolarHBondContact O-N 3.06Å
99W98.8Very high98Very high0 Ų053.8 Ų53.80%028%0.275CS..Iπ-helixtrans-73.1-40.8-166.6-62109.1000113.3V11 G12 D13 M82 N94 I95 V103V11-W99 HydrophobicContact CB-CE3 3.88Å; V11-W99 HydrophobicContact CB-CZ3 4.14Å; V11-W99 HydrophobicContact CG2-CE3 4.28Å; G12-W99 WeakPolarHBondContact O-CH2 3.47Å; G12-W99 WeakPolarHBondContact O-CZ2 3.4Å; D13-W99 WeakPolarHBondContact OD1-CZ2 3.43Å; D13-W99 PolarHBondContact OD1-NE1 2.66Å; M82-W99 HydrophobicContact CE-CB 4Å; M82-W99 HydrophobicContact CG-CB 4.22Å; M82-W99 HydrophobicContact SD-CB 3.96Å; N94-W99 PolarHBondContact O-N 3.36Å; I95-W99 HydrophobicContact CD1-CB 4.43Å; I95-W99 HydrophobicContact CD1-CG 4.37Å; I95-W99 PolarHBondContact O-N 3.09Å; W99-V103 WeakPolarHBondContact O-CB 3.29Å; W99-V103 VanDerWaalsContact O-CG2 3.32Å; W99-V103 WeakPolarHBondContact O-CG2 3.26Å; W99-V103 PolarHBondContact O-N 2.55Å
100V98.8Very high97.9Very high13 Ų1353.7 Ų53.78%0.07927%0.274CS..Hα-helixtrans-65.6-48.5177.6169.50000112M82 I95 E102 V103 K104 I151M82-V100 HydrophobicContact CE-CG2 4.01Å; M82-V100 HydrophobicContact SD-CG2 3.71Å; I95-V100 HydrophobicContact CG2-CG2 3.99Å; I95-V100 WeakPolarHBondContact O-CB 3.36Å; I95-V100 VanDerWaalsContact O-CG2 3.32Å; I95-V100 WeakPolarHBondContact O-CG2 3.49Å; I95-V100 PolarHBondContact O-N 2.94Å; V100-E102 VanDerWaalsContact C-N 3.34Å; V100-E102 PolarHBondContact O-N 3.43Å; V100-V103 PolarHBondContact O-N 3.49Å; V100-K104 HydrophobicContact CG1-CD 3.73Å; V100-K104 HydrophobicContact CG1-CG 4.16Å; V100-K104 VanDerWaalsContact O-CB 3.3Å; V100-K104 WeakPolarHBondContact O-CB 3.5Å; V100-K104 WeakPolarHBondContact O-CG 3.35Å; V100-K104 PolarHBondContact O-N 2.73Å; V100-I151 HydrophobicContact CG2-CB 3.8Å; V100-I151 HydrophobicContact CG2-CD1 4.03Å; V100-I151 HydrophobicContact CG2-CG1 4.5Å; V100-I151 HydrophobicContact CG2-CG2 3.7Å
101P98.4Very high97.9Very high69 Ų6951.6 Ų51.645%0.44827%0.265SS..Hα-helixtrans-55.6-45.9175-29.736.4000113.3P96 K98 H105P96-P101 VanDerWaalsContact O-CD 3.26Å; P96-P101 WeakPolarHBondContact O-CD 3.37Å; K98-P101 WeakPolarHBondContact O-CD 3.23Å; P101-H105 WeakPolarHBondContact O-CB 3.46Å; P101-H105 PolarHBondContact O-N 2.7Å
102E98.5Very high97.9Very high28 Ų2852.1 Ų52.113%0.13127%0.267CS..Hα-helixtrans-63-52.6179-174.7179.3128.100111.6R70 Y74 K98 V100 K104 H105 F106R70-E102 WeakPolarHBondContact CD-OE1 3.21Å; R70-E102 IonicContact CZ-OE1 3.06Å; R70-E102 VanDerWaalsContact NH1-CD 3.3Å; R70-E102 IonicContact NH1-OE1 3.93Å; R70-E102 PolarHBondContact NH1-OE1 3.33Å; R70-E102 IonicContact NH1-OE2 3.28Å; R70-E102 PolarHBondContact NH1-OE2 2.74Å; Y74-E102 HydrophobicContact CE2-CG 4.02Å; Y74-E102 WeakPolarHBondContact CE2-OE1 3.22Å; Y74-E102 PolarHBondContact OH-OE1 3.47Å; K98-E102 PolarHBondContact O-N 3.06Å; V100-E102 VanDerWaalsContact C-N 3.34Å; V100-E102 PolarHBondContact O-N 3.43Å; E102-K104 PolarHBondContact O-N 3.19Å; E102-H105 WeakPolarHBondContact O-CB 3.36Å; E102-H105 PolarHBondContact O-N 2.8Å; E102-H105 VanDerWaalsContact O-N 3.14Å; E102-F106 HydrophobicContact CG-CD2 4.04Å; E102-F106 HydrophobicContact CG-CE2 4.05Å; E102-F106 VanDerWaalsContact O-CD2 3.28Å; E102-F106 WeakPolarHBondContact O-CD2 3.39Å; E102-F106 PolarHBondContact O-N 2.55Å
103V98.5Very high97.9Very high1 Ų151.4 Ų51.41%0.00626%0.263CS..Hα-helixtrans-63-42.3-179.2170.40000111.1V11 I80 M82 W99 V100 H105 F106 C107 I112V11-V103 HydrophobicContact CG2-CG2 3.9Å; I80-V103 HydrophobicContact CB-CG1 4.45Å; I80-V103 HydrophobicContact CD1-CG1 4.33Å; I80-V103 HydrophobicContact CG1-CG1 3.8Å; I80-V103 HydrophobicContact CG2-CG1 4.31Å; I80-V103 HydrophobicContact CG2-CG2 4.25Å; M82-V103 HydrophobicContact CE-CB 3.95Å; M82-V103 HydrophobicContact CE-CG1 4.38Å; M82-V103 HydrophobicContact CE-CG2 3.71Å; W99-V103 WeakPolarHBondContact O-CB 3.29Å; W99-V103 VanDerWaalsContact O-CG2 3.32Å; W99-V103 WeakPolarHBondContact O-CG2 3.26Å; W99-V103 PolarHBondContact O-N 2.55Å; V100-V103 PolarHBondContact O-N 3.49Å; V103-H105 PolarHBondContact O-N 2.79Å; V103-F106 PolarHBondContact O-N 3.2Å; V103-C107 HydrophobicContact CG1-CB 4.07Å; V103-C107 CarbonylContact O-C 3.59Å; V103-C107 VanDerWaalsContact O-CA 3.23Å; V103-C107 WeakPolarHBondContact O-CA 3.47Å; V103-C107 WeakPolarHBondContact O-CB 3.39Å; V103-C107 PolarHBondContact O-N 3.46Å; V103-I112 HydrophobicContact CG1-CD1 3.79Å; V103-I112 HydrophobicContact CG1-CG1 4.02Å
104K97.6Very high98Very high87 Ų8746 Ų4638%0.37824%0.238SC..Hα-helixtrans-66.6-26.8178.2-73.8-173.4175.7179.70112.6V100 E102 P108 I151V100-K104 HydrophobicContact CG1-CD 3.73Å; V100-K104 HydrophobicContact CG1-CG 4.16Å; V100-K104 VanDerWaalsContact O-CB 3.3Å; V100-K104 WeakPolarHBondContact O-CB 3.5Å; V100-K104 WeakPolarHBondContact O-CG 3.35Å; V100-K104 PolarHBondContact O-N 2.73Å; E102-K104 PolarHBondContact O-N 3.19Å; K104-P108 WeakPolarHBondContact O-CA 3.38Å; K104-P108 WeakPolarHBondContact O-CB 3.48Å; K104-I151 PolarHBondContact NZ-O 2.75Å
105H97.9Very high98Very high139 Ų13943.6 Ų43.664%0.64423%0.226SC*.Hα-helixtrans-69.1-48175-178.676.9000112.2P101 E102 V103P101-H105 WeakPolarHBondContact O-CB 3.46Å; P101-H105 PolarHBondContact O-N 2.7Å; E102-H105 WeakPolarHBondContact O-CB 3.36Å; E102-H105 PolarHBondContact O-N 2.8Å; E102-H105 VanDerWaalsContact O-N 3.14Å; V103-H105 PolarHBondContact O-N 2.79Å
106F98.1Very high98Very high95 Ų9543.6 Ų43.642%0.41723%0.226SC..Hα-helixtrans-91.8-24.9-175.4-64.7-73.5000114.3P71 Y74 E102 V103 P108P71-F106 HydrophobicContact CB-CD1 4.11Å; P71-F106 HydrophobicContact CB-CD2 4.05Å; P71-F106 HydrophobicContact CB-CE1 3.7Å; P71-F106 HydrophobicContact CB-CE2 3.64Å; P71-F106 HydrophobicContact CB-CG 4.29Å; P71-F106 HydrophobicContact CB-CZ 3.45Å; P71-F106 VanDerWaalsContact CB-CZ 3.45Å; P71-F106 HydrophobicContact CG-CD2 4.24Å; P71-F106 HydrophobicContact CG-CE1 4.36Å; P71-F106 HydrophobicContact CG-CE2 3.52Å; P71-F106 HydrophobicContact CG-CZ 3.6Å; Y74-F106 HydrophobicContact CD2-CB 3.36Å; Y74-F106 HydrophobicContact CD2-CD1 4.46Å; Y74-F106 AromaticContact CD2-CD2 3.56Å; Y74-F106 HydrophobicContact CD2-CD2 3.56Å; Y74-F106 HydrophobicContact CD2-CE2 4.49Å; Y74-F106 AromaticContact CD2-CG 3.55Å; Y74-F106 HydrophobicContact CD2-CG 3.55Å; Y74-F106 HydrophobicContact CE2-CB 4.21Å; Y74-F106 AromaticContact CE2-CD2 3.69Å; Y74-F106 HydrophobicContact CE2-CD2 3.69Å; Y74-F106 HydrophobicContact CE2-CE2 4.43Å; Y74-F106 HydrophobicContact CE2-CG 4.18Å; Y74-F106 HydrophobicContact CG-CB 3.98Å; E102-F106 HydrophobicContact CG-CD2 4.04Å; E102-F106 HydrophobicContact CG-CE2 4.05Å; E102-F106 VanDerWaalsContact O-CD2 3.28Å; E102-F106 WeakPolarHBondContact O-CD2 3.39Å; E102-F106 PolarHBondContact O-N 2.55Å; V103-F106 PolarHBondContact O-N 3.2Å; F106-P108 VanDerWaalsContact C-CD 3.48Å
107C97.4Very high98Very high6 Ų642.7 Ų42.74%0.04122%0.219CC..  trans-132.151.7-170.9-72.30000112V103 N109 V110V103-C107 HydrophobicContact CG1-CB 4.07Å; V103-C107 CarbonylContact O-C 3.59Å; V103-C107 VanDerWaalsContact O-CA 3.23Å; V103-C107 WeakPolarHBondContact O-CA 3.47Å; V103-C107 WeakPolarHBondContact O-CB 3.39Å; V103-C107 PolarHBondContact O-N 3.46Å; C107-N109 PolarHBondContact O-N 3.06Å; C107-V110 HydrophobicContact CB-CB 3.82Å; C107-V110 HydrophobicContact CB-CG2 3.46Å; C107-V110 VanDerWaalsContact CB-CG2 3.46Å; C107-V110 PolarHBondContact O-N 3.44Å; C107-V110 VanDerWaalsContact O-N 3.09Å
108P94.7Very high98Very high90 Ų9038.2 Ų38.258%0.58420%0.198SC*.THydrogen-bonded Turntrans-59.1-27.5-166.422.3-34.9000115.3K104 F106K104-P108 WeakPolarHBondContact O-CA 3.38Å; K104-P108 WeakPolarHBondContact O-CB 3.48Å; F106-P108 VanDerWaalsContact C-CD 3.48Å
109N93.6Very high98.1Very high122 Ų12239.1 Ų39.165%0.65220%0.201SC*.THydrogen-bonded Turntrans-115.815.4-176.9-61.5-47.9000113C107C107-N109 PolarHBondContact O-N 3.06Å
110V97.9Very high98.1Very high16 Ų1640.9 Ų40.910%0.09721%0.211CC..SBendtrans-90.8127.4-179.2-173.50000108.5T77 I80 C107 I112T77-V110 HydrophobicContact CG2-CG1 4.01Å; I80-V110 HydrophobicContact CG1-CB 4.41Å; I80-V110 HydrophobicContact CG1-CG1 3.87Å; C107-V110 HydrophobicContact CB-CB 3.82Å; C107-V110 HydrophobicContact CB-CG2 3.46Å; C107-V110 VanDerWaalsContact CB-CG2 3.46Å; C107-V110 PolarHBondContact O-N 3.44Å; C107-V110 VanDerWaalsContact O-N 3.09Å; V110-I112 PolarHBondContact O-N 3.21Å
111P98.6Very high98.1Very high31 Ų3141.5 Ų41.520%0.20121%0.214CC..  trans-61.6138.4176.425.1-33.4000110.9D78 V79 I80 Y154 A177D78-P111 WeakPolarHBondContact O-CD 3.45Å; V79-P111 HydrophobicContact CB-CG 4.3Å; V79-P111 HydrophobicContact CG2-CG 4.2Å; I80-P111 PolarHBondContact N-O 2.84Å; P111-Y154 HydrophobicContact CB-CD2 4.42Å; P111-Y154 HydrophobicContact CB-CG 4.48Å; P111-A177 HydrophobicContact CB-CB 4.04Å; P111-A177 HydrophobicContact CG-CB 4.02Å
112I98.9Very high98.1Very high12 Ų1240.3 Ų40.36%0.06220%0.2CC..EExtended strand (participates in β ladder)trans-108.3125.7176.7-63.5165.1000108.2I80 M82 V103 V110 I151 A153 Y154I80-I112 HydrophobicContact CB-CG1 4.1Å; I80-I112 HydrophobicContact CG2-CG1 4.38Å; M82-I112 HydrophobicContact CB-CG2 3.65Å; M82-I112 HydrophobicContact CE-CD1 4.02Å; M82-I112 HydrophobicContact CE-CG2 4.07Å; M82-I112 HydrophobicContact SD-CG2 4.15Å; V103-I112 HydrophobicContact CG1-CD1 3.79Å; V103-I112 HydrophobicContact CG1-CG1 4.02Å; V110-I112 PolarHBondContact O-N 3.21Å; I112-I151 HydrophobicContact CG2-CD1 4.48Å; I112-A153 CarbonylContact O-C 3.53Å; I112-A153 WeakPolarHBondContact O-CA 3.27Å; I112-A153 WeakPolarHBondContact O-CB 3.48Å; I112-Y154 WeakPolarHBondContact O-CB 3.45Å; I112-Y154 PolarHBondContact O-N 3.49Å
113I98.9Very high98Very high0 Ų043 Ų430%022%0.222CC..EExtended strand (participates in β ladder)trans-96.6122.5163.7-45.6-52.2000107.3V79 I80 L81 M82 V115 Y154 L157 T173 A174 A177V79-I113 HydrophobicContact CG2-CD1 4.48Å; V79-I113 HydrophobicContact CG2-CG1 4.05Å; I80-I113 PolarHBondContact O-N 3.45Å; L81-I113 HydrophobicContact CD2-CB 3.68Å; L81-I113 HydrophobicContact CD2-CG1 3.91Å; L81-I113 HydrophobicContact CD2-CG2 4.26Å; M82-I113 PolarHBondContact N-O 2.85Å; I113-V115 HydrophobicContact CB-CG2 4.49Å; I113-V115 HydrophobicContact CG2-CG2 3.99Å; I113-Y154 HydrophobicContact CD1-CD1 3.45Å; I113-Y154 VanDerWaalsContact CD1-CD1 3.45Å; I113-Y154 HydrophobicContact CD1-CE1 4.38Å; I113-Y154 HydrophobicContact CD1-CG 3.97Å; I113-L157 HydrophobicContact CG2-CD1 3.94Å; I113-T173 HydrophobicContact CD1-CG2 4.24Å; I113-A174 HydrophobicContact CG1-CB 3.99Å; I113-A177 HydrophobicContact CD1-CB 4.01Å
114L99Very high98Very high0 Ų045.8 Ų45.80%024%0.237CC..EExtended strand (participates in β ladder)trans-84.5126.2172-175.565.7000108.9M82 F84 I95 M147 A148 I151 A153 D155 Y156 L157M82-L114 HydrophobicContact CG-CD1 4.34Å; M82-L114 WeakPolarHBondContact O-CA 3.27Å; M82-L114 WeakPolarHBondContact O-CD1 3.3Å; F84-L114 HydrophobicContact CD1-CD1 3.94Å; F84-L114 HydrophobicContact CD1-CG 4.29Å; F84-L114 HydrophobicContact CE1-CD1 4.2Å; F84-L114 HydrophobicContact CE1-CD2 4.26Å; F84-L114 HydrophobicContact CE1-CG 4.04Å; I95-L114 HydrophobicContact CD1-CD1 4.2Å; I95-L114 HydrophobicContact CG1-CD1 4.11Å; I95-L114 HydrophobicContact CG2-CD1 4.08Å; L114-M147 HydrophobicContact CD2-CB 3.92Å; L114-M147 HydrophobicContact CD2-CG 3.93Å; L114-A148 HydrophobicContact CB-CB 4.33Å; L114-A148 HydrophobicContact CD2-CB 3.92Å; L114-I151 HydrophobicContact CB-CD1 4.4Å; L114-I151 HydrophobicContact CD1-CD1 4.24Å; L114-I151 HydrophobicContact CD2-CD1 4.37Å; L114-A153 HydrophobicContact CB-CB 4.13Å; L114-D155 PolarHBondContact N-O 3.11Å; L114-Y156 HydrophobicContact CB-CD2 4.21Å; L114-Y156 HydrophobicContact CD2-CD2 4Å; L114-Y156 HydrophobicContact CD2-CE2 4.44Å; L114-Y156 HydrophobicContact CG-CD2 4.04Å; L114-Y156 WeakPolarHBondContact O-CA 3.38Å; L114-L157 PolarHBondContact O-N 3.38Å
115V99Very high98Very high0 Ų047.7 Ų47.70%025%0.247CC..EExtended strand (participates in β ladder)trans-123.3122.2-175.2-175.40000110.8L21 L81 M82 C83 F84 I113 L157 V170L21-V115 HydrophobicContact CD2-CG1 4.29Å; L81-V115 HydrophobicContact CD2-CG2 4.07Å; M82-V115 PolarHBondContact O-N 3.49Å; C83-V115 WeakPolarHBondContact CA-O 3.5Å; F84-V115 WeakPolarHBondContact CD1-O 3.41Å; F84-V115 PolarHBondContact N-O 2.64Å; I113-V115 HydrophobicContact CB-CG2 4.49Å; I113-V115 HydrophobicContact CG2-CG2 3.99Å; V115-L157 CarbonylContact C-O 3.57Å; V115-L157 WeakPolarHBondContact CA-O 3.4Å; V115-V170 HydrophobicContact CG1-CG1 4.44Å; V115-V170 HydrophobicContact CG1-CG2 3.97Å; V115-V170 HydrophobicContact CG2-CG1 3.87Å; V115-V170 HydrophobicContact CG2-CG2 4.34Å
116A99Very high98Very high0 Ų047.2 Ų47.20%025%0.245CC..EExtended strand (participates in β ladder)trans-90.2102.3169.500000109.9F84 V86 Y156 L157 E158 C159F84-A116 HydrophobicContact CE1-CB 3.72Å; F84-A116 HydrophobicContact CE2-CB 3.73Å; F84-A116 HydrophobicContact CZ-CB 3.24Å; V86-A116 HydrophobicContact CG2-CB 3.93Å; A116-Y156 HydrophobicContact CB-CE2 3.98Å; A116-Y156 WeakPolarHBondContact CB-OH 3.45Å; A116-L157 PolarHBondContact N-O 2.81Å; A116-E158 HydrophobicContact CB-CB 4.24Å; A116-E158 HydrophobicContact CB-CG 3.96Å; A116-E158 WeakPolarHBondContact O-CA 3.4Å; A116-C159 PolarHBondContact O-N 2.93Å
117N98.9Very high98Very high4 Ų443.7 Ų43.72%0.02123%0.231CC..EExtended strand (participates in β ladder)trans-78.6165176-73.4-26.8000112C16 F84 S85 V86 K119 C159C16-N117 WeakPolarHBondContact O-CB 3.26Å; C16-N117 PolarHBondContact O-ND2 2.91Å; F84-N117 WeakPolarHBondContact O-CB 3.38Å; F84-N117 PolarHBondContact O-N 2.77Å; S85-N117 WeakPolarHBondContact CA-O 3.49Å; V86-N117 WeakPolarHBondContact CG2-O 3.44Å; V86-N117 PolarHBondContact N-O 3.27Å; N117-K119 VanDerWaalsContact C-N 3.29Å; N117-K119 PolarHBondContact O-N 3.31Å; N117-C159 CarbonylContact C-O 3.48Å; N117-C159 PolarHBondContact OD1-SG 3.4Å; N117-C159 VanDerWaalsContact OD1-SG 3.36Å
118K98.7Very high98.1Very high51 Ų5148.7 Ų48.722%0.22225%0.249CC..  trans58.839176.1-42.8-173.9-156.4154.30112.8A15 S85 D87 D120 L121 C159A15-K118 WeakPolarHBondContact O-CE 3.07Å; A15-K118 PolarHBondContact O-NZ 3.44Å; S85-K118 PolarHBondContact OG-NZ 2.87Å; D87-K118 VanDerWaalsContact CG-NZ 3.34Å; D87-K118 WeakPolarHBondContact OD1-CD 3.47Å; D87-K118 IonicContact OD1-NZ 3.7Å; D87-K118 PolarHBondContact OD1-NZ 2.87Å; D87-K118 WeakPolarHBondContact OD2-CD 3.41Å; D87-K118 IonicContact OD2-NZ 3.59Å; D87-K118 PolarHBondContact OD2-NZ 3.03Å; K118-D120 WeakPolarHBondContact CA-OD1 3.22Å; K118-D120 PolarHBondContact O-N 3.25Å; K118-D120 VanDerWaalsContact O-N 3.11Å; K118-L121 HydrophobicContact CB-CD1 3.8Å; K118-L121 HydrophobicContact CB-CG 4.07Å; K118-L121 HydrophobicContact CD-CD1 3.77Å; K118-L121 HydrophobicContact CG-CD1 4.42Å; K118-L121 WeakPolarHBondContact O-CB 3.24Å; K118-L121 PolarHBondContact O-N 3.11Å; K118-C159 PolarHBondContact N-O 3.02Å
119K98.9Very high98.3Very high57 Ų5747.9 Ų47.925%0.24824%0.243CC..G310 helixtrans-50.6-34.7178.4-174.2-171.1-178.9-173.60113.2N117 L121 R122 E158 C159 E165N117-K119 VanDerWaalsContact C-N 3.29Å; N117-K119 PolarHBondContact O-N 3.31Å; K119-L121 PolarHBondContact O-N 3.14Å; K119-L121 VanDerWaalsContact O-N 3.17Å; K119-R122 WeakPolarHBondContact O-CB 3.35Å; K119-R122 PolarHBondContact O-N 3.44Å; K119-R122 VanDerWaalsContact O-N 3.13Å; K119-E158 HydrophobicContact CB-CB 4.46Å; K119-E158 HydrophobicContact CD-CB 3.88Å; K119-E158 HydrophobicContact CG-CB 4.18Å; K119-C159 WeakPolarHBondContact CB-O 3.24Å; K119-C159 PolarHBondContact N-O 3.27Å; K119-E165 IonicContact NZ-OE1 3.63Å; K119-E165 PolarHBondContact NZ-OE1 3.35Å
120D98.6Very high98.5Very high37 Ų3745.6 Ų45.620%0.19823%0.228CC..G310 helixtrans-56.9-27.6177.557.5-65.8000113.2K118 R122 S160 T163K118-D120 WeakPolarHBondContact CA-OD1 3.22Å; K118-D120 PolarHBondContact O-N 3.25Å; K118-D120 VanDerWaalsContact O-N 3.11Å; D120-R122 VanDerWaalsContact C-N 3.31Å; D120-R122 PolarHBondContact O-N 3.16Å; D120-S160 VanDerWaalsContact CG-OG 3.22Å; D120-S160 WeakPolarHBondContact OD1-CB 3.21Å; D120-S160 PolarHBondContact OD1-OG 2.56Å; D120-T163 HydrophobicContact CB-CG2 4Å
121L98.7Very high98.5Very high26 Ų2645.2 Ų45.214%0.13623%0.226CC..G310 helixtrans-79.1-8.9-178.6-59.9-175.1000113.9D87 K118 K119 S123 D124 V127D87-L121 HydrophobicContact CB-CB 4.17Å; D87-L121 HydrophobicContact CB-CD1 3.76Å; D87-L121 WeakPolarHBondContact OD2-CD1 3.4Å; K118-L121 HydrophobicContact CB-CD1 3.8Å; K118-L121 HydrophobicContact CB-CG 4.07Å; K118-L121 HydrophobicContact CD-CD1 3.77Å; K118-L121 HydrophobicContact CG-CD1 4.42Å; K118-L121 WeakPolarHBondContact O-CB 3.24Å; K118-L121 PolarHBondContact O-N 3.11Å; K119-L121 PolarHBondContact O-N 3.14Å; K119-L121 VanDerWaalsContact O-N 3.17Å; L121-S123 PolarHBondContact O-N 3.43Å; L121-D124 HydrophobicContact CD2-CB 4.15Å; L121-D124 PolarHBondContact O-N 3.28Å; L121-V127 HydrophobicContact CB-CG1 4.38Å; L121-V127 HydrophobicContact CB-CG2 4.12Å; L121-V127 HydrophobicContact CD1-CG2 4.24Å; L121-V127 HydrophobicContact CD2-CG2 4.05Å; L121-V127 HydrophobicContact CG-CG2 4.35Å
122R98.4Very high98.5Very high44 Ų4446.8 Ų46.817%0.16624%0.241CC..G310 helixtrans-61.4-35.2178-167.1171.9-67.8121.1-5.3113V86 K119 D120 R128 P138 V139 E158V86-R122 HydrophobicContact CG1-CB 3.8Å; V86-R122 HydrophobicContact CG1-CG 4.22Å; K119-R122 WeakPolarHBondContact O-CB 3.35Å; K119-R122 PolarHBondContact O-N 3.44Å; K119-R122 VanDerWaalsContact O-N 3.13Å; D120-R122 VanDerWaalsContact C-N 3.31Å; D120-R122 PolarHBondContact O-N 3.16Å; R122-R128 PolarHBondContact O-NE 2.77Å; R122-R128 PolarHBondContact O-NH2 3.42Å; R122-P138 HydrophobicContact CG-CB 4.25Å; R122-V139 PolarHBondContact NE-O 2.99Å; R122-V139 PolarHBondContact NH2-O 2.6Å; R122-E158 IonicContact CZ-OE1 2.87Å; R122-E158 IonicContact CZ-OE2 2.89Å; R122-E158 VanDerWaalsContact CZ-OE2 3.24Å; R122-E158 IonicContact NH1-OE1 3.24Å; R122-E158 IonicContact NH1-OE2 2.67Å; R122-E158 PolarHBondContact NH1-OE2 3.07Å; R122-E158 IonicContact NH2-OE1 2.96Å; R122-E158 PolarHBondContact NH2-OE1 3.48Å; R122-E158 IonicContact NH2-OE2 2.73Å; R122-E158 PolarHBondContact NH2-OE2 3.41Å
123S97Very high98.4Very high84 Ų8455 Ų5559%0.58727%0.271SS*.G310 helixtrans-103.46.2179.750.10000112.9L121 E125L121-S123 PolarHBondContact O-N 3.43Å; S123-E125 PolarHBondContact O-N 2.75Å
124D98.4Very high98.3Very high60 Ų6060.7 Ų60.732%0.32130%0.299SS..  trans-77120.5178.6-176.1-78.1000110.1L121 H126 V127 R128L121-D124 HydrophobicContact CD2-CB 4.15Å; L121-D124 PolarHBondContact O-N 3.28Å; D124-H126 VanDerWaalsContact C-N 3.29Å; D124-H126 PolarHBondContact O-N 3.36Å; D124-H126 WeakPolarHBondContact OD1-CA 3.48Å; D124-H126 VanDerWaalsContact OD1-CB 3.29Å; D124-H126 WeakPolarHBondContact OD1-CB 3.43Å; D124-H126 PolarHBondContact OD1-N 2.93Å; D124-V127 HydrophobicContact CB-CB 4.12Å; D124-V127 HydrophobicContact CB-CG2 4.1Å; D124-V127 PolarHBondContact O-N 2.91Å; D124-V127 PolarHBondContact OD1-N 3.42Å; D124-R128 WeakPolarHBondContact O-CB 3.17Å; D124-R128 VanDerWaalsContact O-CG 3.28Å; D124-R128 WeakPolarHBondContact O-CG 3.43Å; D124-R128 PolarHBondContact O-N 2.99Å
125E98.1Very high98.3Very high127 Ų12770.3 Ų70.359%0.59334%0.341SS*.Hα-helixtrans-65.8-31.7-176.1-69.7-60.5140.100112.5S123 T129S123-E125 PolarHBondContact O-N 2.75Å; E125-T129 WeakPolarHBondContact O-CB 3.44Å; E125-T129 PolarHBondContact O-N 2.84Å; E125-T129 PolarHBondContact O-OG1 3.39Å
126H98.2Very high98.2Very high129 Ų12972.7 Ų72.760%0.59735%0.352SS*.Hα-helixtrans-70.6-47178179.458.1000110.7D124 R128 T129 E130D124-H126 VanDerWaalsContact C-N 3.29Å; D124-H126 PolarHBondContact O-N 3.36Å; D124-H126 WeakPolarHBondContact OD1-CA 3.48Å; D124-H126 VanDerWaalsContact OD1-CB 3.29Å; D124-H126 WeakPolarHBondContact OD1-CB 3.43Å; D124-H126 PolarHBondContact OD1-N 2.93Å; H126-R128 VanDerWaalsContact C-N 3.33Å; H126-R128 PolarHBondContact O-N 3.21Å; H126-T129 PolarHBondContact O-N 3.32Å; H126-E130 PolarHBondContact O-N 3.27Å
127V98.4Very high98.2Very high22 Ų2278.2 Ų78.213%0.13338%0.378CS..Hα-helixtrans-59.5-44.2175172.30000111.1D87 L121 D124 T129 E130 L131 P138D87-V127 HydrophobicContact CB-CG1 3.72Å; L121-V127 HydrophobicContact CB-CG1 4.38Å; L121-V127 HydrophobicContact CB-CG2 4.12Å; L121-V127 HydrophobicContact CD1-CG2 4.24Å; L121-V127 HydrophobicContact CD2-CG2 4.05Å; L121-V127 HydrophobicContact CG-CG2 4.35Å; D124-V127 HydrophobicContact CB-CB 4.12Å; D124-V127 HydrophobicContact CB-CG2 4.1Å; D124-V127 PolarHBondContact O-N 2.91Å; D124-V127 PolarHBondContact OD1-N 3.42Å; V127-T129 VanDerWaalsContact C-N 3.33Å; V127-T129 PolarHBondContact O-N 3.42Å; V127-E130 PolarHBondContact O-N 2.9Å; V127-L131 HydrophobicContact CG1-CD1 3.8Å; V127-L131 HydrophobicContact CG1-CG 4.42Å; V127-L131 WeakPolarHBondContact O-CB 3.37Å; V127-L131 WeakPolarHBondContact O-CG 3.06Å; V127-L131 PolarHBondContact O-N 3Å; V127-P138 HydrophobicContact CG1-CG 4.42Å
128R98.5Very high98.2Very high111 Ų11178.8 Ų78.842%0.41938%0.382SS..Hα-helixtrans-59.8-43.4175.3-74.9172.7170.8-149.8-6.4112.5R122 D124 H126 A132 P138R122-R128 PolarHBondContact O-NE 2.77Å; R122-R128 PolarHBondContact O-NH2 3.42Å; D124-R128 WeakPolarHBondContact O-CB 3.17Å; D124-R128 VanDerWaalsContact O-CG 3.28Å; D124-R128 WeakPolarHBondContact O-CG 3.43Å; D124-R128 PolarHBondContact O-N 2.99Å; H126-R128 VanDerWaalsContact C-N 3.33Å; H126-R128 PolarHBondContact O-N 3.21Å; R128-A132 WeakPolarHBondContact O-CB 3.47Å; R128-A132 PolarHBondContact O-N 3.24Å; R128-P138 HydrophobicContact CG-CG 3.87Å
129T98.5Very high98.2Very high73 Ų7376.7 Ų76.745%0.44837%0.373SS..Hα-helixtrans-63.9-46.5178.8-61.50000111.1E125 H126 V127 A132 R133E125-T129 WeakPolarHBondContact O-CB 3.44Å; E125-T129 PolarHBondContact O-N 2.84Å; E125-T129 PolarHBondContact O-OG1 3.39Å; H126-T129 PolarHBondContact O-N 3.32Å; V127-T129 VanDerWaalsContact C-N 3.33Å; V127-T129 PolarHBondContact O-N 3.42Å; T129-A132 PolarHBondContact O-N 3.47Å; T129-R133 WeakPolarHBondContact O-CG 3.09Å; T129-R133 PolarHBondContact O-N 3Å
130E98Very high98.2Very high74 Ų7480.7 Ų80.735%0.34639%0.387SS..Hα-helixtrans-67.6-41.9-179.4-69.5-57.7118.200112.3H126 V127 A132 R133H126-E130 PolarHBondContact O-N 3.27Å; V127-E130 PolarHBondContact O-N 2.9Å; E130-A132 PolarHBondContact O-N 3.15Å; E130-R133 WeakPolarHBondContact O-CB 3.42Å; E130-R133 PolarHBondContact O-N 2.94Å; E130-R133 WeakPolarHBondContact OE1-CD 3.41Å; E130-R133 IonicContact OE1-CZ 3.92Å; E130-R133 IonicContact OE1-NH1 2.92Å; E130-R133 PolarHBondContact OE1-NH1 2.92Å; E130-R133 IonicContact OE2-NH1 3.52Å
131L98.5Very high98.2Very high8 Ų881 Ų814%0.04239%0.39CS..Hα-helixtrans-63.2-40.7173.5-73171.4000111.8P89 V127 R133 M134 K135 Q136 P138P89-L131 HydrophobicContact CG-CD2 4.35Å; V127-L131 HydrophobicContact CG1-CD1 3.8Å; V127-L131 HydrophobicContact CG1-CG 4.42Å; V127-L131 WeakPolarHBondContact O-CB 3.37Å; V127-L131 WeakPolarHBondContact O-CG 3.06Å; V127-L131 PolarHBondContact O-N 3Å; L131-R133 PolarHBondContact O-N 3.39Å; L131-M134 HydrophobicContact CD2-CE 3.94Å; L131-M134 CarbonylContact O-C 3.12Å; L131-M134 WeakPolarHBondContact O-CA 3.37Å; L131-M134 PolarHBondContact O-N 2.69Å; L131-K135 PolarHBondContact O-N 2.99Å; L131-K135 VanDerWaalsContact O-N 3.14Å; L131-Q136 CarbonylContact C-O 3.54Å; L131-Q136 HydrophobicContact CB-CB 4.12Å; L131-Q136 WeakPolarHBondContact CB-O 3.5Å; L131-Q136 HydrophobicContact CD2-CB 3.96Å; L131-Q136 PolarHBondContact O-N 3.17Å; L131-P138 HydrophobicContact CD1-CB 4.29Å; L131-P138 HydrophobicContact CD1-CG 3.82Å
132A98.1Very high98.2Very high63 Ų6385.4 Ų85.452%0.52141%0.414SS..Hα-helixtrans-61.4-32.2178.100000112.5R128 T129 E130 M134 K135 Q136R128-A132 WeakPolarHBondContact O-CB 3.47Å; R128-A132 PolarHBondContact O-N 3.24Å; T129-A132 PolarHBondContact O-N 3.47Å; E130-A132 PolarHBondContact O-N 3.15Å; A132-M134 PolarHBondContact O-N 2.97Å; A132-K135 PolarHBondContact O-N 3.04Å; A132-Q136 PolarHBondContact N-O 3.3Å
133R97.7Very high98.2Very high186 Ų18687.1 Ų87.170%0.70243%0.426SS*.Hα-helixtrans-63.3-28.7173.6-65.5170.4101.41803.2112.3T129 E130 L131T129-R133 WeakPolarHBondContact O-CG 3.09Å; T129-R133 PolarHBondContact O-N 3Å; E130-R133 WeakPolarHBondContact O-CB 3.42Å; E130-R133 PolarHBondContact O-N 2.94Å; E130-R133 WeakPolarHBondContact OE1-CD 3.41Å; E130-R133 IonicContact OE1-CZ 3.92Å; E130-R133 IonicContact OE1-NH1 2.92Å; E130-R133 PolarHBondContact OE1-NH1 2.92Å; E130-R133 IonicContact OE2-NH1 3.52Å; L131-R133 PolarHBondContact O-N 3.39Å
134M96.4Very high98.3Very high118 Ų11883.1 Ų83.158%0.58140%0.398SS*.THydrogen-bonded Turntrans-94.69.1174.3-58.8-177-65.200112.7L131 A132 Q136L131-M134 HydrophobicContact CD2-CE 3.94Å; L131-M134 CarbonylContact O-C 3.12Å; L131-M134 WeakPolarHBondContact O-CA 3.37Å; L131-M134 PolarHBondContact O-N 2.69Å; A132-M134 PolarHBondContact O-N 2.97Å; M134-Q136 PolarHBondContact O-N 3.1Å
135K97.5Very high98.3Very high203 Ų20386.5 Ų86.588%0.88341%0.406SS*.THydrogen-bonded Turntrans58.431.6-175-53.4177.1179.8176.30113.4L131 A132L131-K135 PolarHBondContact O-N 2.99Å; L131-K135 VanDerWaalsContact O-N 3.14Å; A132-K135 PolarHBondContact O-N 3.04Å
136Q98Very high98.3Very high49 Ų4983.4 Ų83.423%0.22940%0.402CS..  trans-113.5166176.2-72.5-175.7-27.300110.5P89 D90 L131 A132 M134P89-Q136 HydrophobicContact CG-CB 4.23Å; D90-Q136 PolarHBondContact OD1-NE2 3.32Å; L131-Q136 CarbonylContact C-O 3.54Å; L131-Q136 HydrophobicContact CB-CB 4.12Å; L131-Q136 WeakPolarHBondContact CB-O 3.5Å; L131-Q136 HydrophobicContact CD2-CB 3.96Å; L131-Q136 PolarHBondContact O-N 3.17Å; A132-Q136 PolarHBondContact N-O 3.3Å; M134-Q136 PolarHBondContact O-N 3.1Å
137E98.3Very high98.4Very high117 Ų11778.1 Ų78.155%0.54738%0.378SS..  trans-132.5156.5172-67.6-175.5172.400109P89 R140P89-E137 VanDerWaalsContact CG-O 3.22Å; P89-E137 WeakPolarHBondContact CG-O 3.4Å; E137-R140 IonicContact OE2-CZ 3.61Å; E137-R140 IonicContact OE2-NE 3.62Å; E137-R140 IonicContact OE2-NH2 2.77Å; E137-R140 PolarHBondContact OE2-NH2 2.64Å
138P98.8Very high98.4Very high15 Ų1577.5 Ų77.510%0.09738%0.375CS..PPolyproline II helixtrans-55.9142.2171-2230.8000111.4V86 R122 V127 R128 L131 R140V86-P138 HydrophobicContact CG1-CB 4.02Å; V86-P138 CarbonylContact O-C 3.36Å; V86-P138 VanDerWaalsContact O-CA 3.31Å; V86-P138 WeakPolarHBondContact O-CA 3.42Å; R122-P138 HydrophobicContact CG-CB 4.25Å; V127-P138 HydrophobicContact CG1-CG 4.42Å; R128-P138 HydrophobicContact CG-CG 3.87Å; L131-P138 HydrophobicContact CD1-CB 4.29Å; L131-P138 HydrophobicContact CD1-CG 3.82Å; P138-R140 PolarHBondContact O-N 2.99Å
139V98.8Very high98.4Very high7 Ų777.7 Ų77.74%0.04239%0.389CS..PPolyproline II helixtrans-58.5127.1-177.9179.20000110.9F84 V86 P89 L92 R122 D143F84-V139 HydrophobicContact CD2-CG2 4.47Å; F84-V139 HydrophobicContact CE2-CB 4.03Å; F84-V139 HydrophobicContact CE2-CG1 3.7Å; F84-V139 HydrophobicContact CE2-CG2 4.13Å; F84-V139 HydrophobicContact CZ-CG1 4.16Å; V86-V139 PolarHBondContact O-N 3.46Å; P89-V139 HydrophobicContact CB-CG2 4.39Å; P89-V139 HydrophobicContact CG-CG2 4.37Å; L92-V139 HydrophobicContact CB-CG2 4.4Å; L92-V139 HydrophobicContact CD2-CG1 3.68Å; L92-V139 HydrophobicContact CD2-CG2 4.49Å; R122-V139 PolarHBondContact NE-O 2.99Å; R122-V139 PolarHBondContact NH2-O 2.6Å; V139-D143 HydrophobicContact CG1-CB 4.15Å
140R98.7Very high98.4Very high142 Ų14282.4 Ų82.454%0.53640%0.398SS..PPolyproline II helixtrans-79.4152.6178-53.2175.8176.2-176.70.6110E137 P138 D142 D143 G144E137-R140 IonicContact OE2-CZ 3.61Å; E137-R140 IonicContact OE2-NE 3.62Å; E137-R140 IonicContact OE2-NH2 2.77Å; E137-R140 PolarHBondContact OE2-NH2 2.64Å; P138-R140 PolarHBondContact O-N 2.99Å; R140-D142 PolarHBondContact O-N 3.23Å; R140-D143 VanDerWaalsContact CB-OD2 3.26Å; R140-D143 WeakPolarHBondContact CB-OD2 3.38Å; R140-D143 PolarHBondContact N-OD2 2.85Å; R140-D143 PolarHBondContact O-N 3.36Å; R140-D143 VanDerWaalsContact O-N 3.13Å; R140-G144 PolarHBondContact O-N 3.16Å
141T98.8Very high98.4Very high42 Ų4279.2 Ų79.226%0.25838%0.383SS..Hα-helixtrans-57-37.3177.3-62.90000112.3G144 R145 Y156 E158T141-G144 PolarHBondContact O-N 2.93Å; T141-R145 WeakPolarHBondContact O-CG 3.37Å; T141-R145 PolarHBondContact O-N 2.98Å; T141-Y156 HydrophobicContact CG2-CE1 4.27Å; T141-E158 WeakPolarHBondContact CA-OE1 3.41Å; T141-E158 VanDerWaalsContact CB-OE1 3.23Å; T141-E158 WeakPolarHBondContact CB-OE1 3.37Å; T141-E158 WeakPolarHBondContact CG2-OE1 3.47Å; T141-E158 PolarHBondContact OG1-OE1 2.94Å; T141-E158 PolarHBondContact OG1-OE2 2.9Å
142D98.8Very high98.4Very high119 Ų11986.4 Ų86.464%0.63642%0.417SS*.Hα-helixtrans-69.1-33.6179.8-67.3-19.7000112.6R140 R145 A146R140-D142 PolarHBondContact O-N 3.23Å; D142-R145 PolarHBondContact O-N 3.01Å; D142-A146 VanDerWaalsContact O-CB 3.27Å; D142-A146 WeakPolarHBondContact O-CB 3.21Å; D142-A146 PolarHBondContact O-N 3.11Å
143D98.8Very high98.4Very high80 Ų8084.3 Ų84.343%0.42840%0.399SS..Hα-helixtrans-67.1-43.7176.5-57.2-39.8000110.6L92 V139 R140 A146 M147L92-D143 HydrophobicContact CD2-CB 4.15Å; V139-D143 HydrophobicContact CG1-CB 4.15Å; R140-D143 VanDerWaalsContact CB-OD2 3.26Å; R140-D143 WeakPolarHBondContact CB-OD2 3.38Å; R140-D143 PolarHBondContact N-OD2 2.85Å; R140-D143 PolarHBondContact O-N 3.36Å; R140-D143 VanDerWaalsContact O-N 3.13Å; D143-A146 PolarHBondContact O-N 2.94Å; D143-M147 WeakPolarHBondContact O-CB 3.17Å; D143-M147 PolarHBondContact O-N 3.43Å
144G98.9Very high98.5Very high0 Ų079.4 Ų79.40%038%0.381CS..Hα-helixtrans-63.1-42.3174.600000112.7R140 T141 M147 A148R140-G144 PolarHBondContact O-N 3.16Å; T141-G144 PolarHBondContact O-N 2.93Å; G144-M147 PolarHBondContact O-N 2.82Å; G144-A148 PolarHBondContact O-N 3.13Å
145R98.8Very high98.6Very high132 Ų13276.9 Ų76.950%0.49837%0.37SS..Hα-helixtrans-62.9-44.7173.7-73.9-177.5-170.9-73.6-2.6112.1T141 D142 M147 A148 V149 Y156T141-R145 WeakPolarHBondContact O-CG 3.37Å; T141-R145 PolarHBondContact O-N 2.98Å; D142-R145 PolarHBondContact O-N 3.01Å; R145-M147 VanDerWaalsContact C-N 3.27Å; R145-M147 PolarHBondContact O-N 3.24Å; R145-A148 WeakPolarHBondContact O-CB 3.07Å; R145-A148 PolarHBondContact O-N 3.24Å; R145-V149 WeakPolarHBondContact O-CG2 3.17Å; R145-V149 PolarHBondContact O-N 2.68Å; R145-Y156 HydrophobicContact CB-CD1 4.36Å; R145-Y156 HydrophobicContact CG-CD1 3.42Å; R145-Y156 VanDerWaalsContact CG-CD1 3.42Å; R145-Y156 HydrophobicContact CG-CE1 3.79Å; R145-Y156 HydrophobicContact CG-CG 4.26Å
146A98.9Very high98.7Very high61 Ų6167.8 Ų67.850%0.50433%0.33SS..Hα-helixtrans-61.1-40177.200000111.1D142 D143 V149 R150D142-A146 VanDerWaalsContact O-CB 3.27Å; D142-A146 WeakPolarHBondContact O-CB 3.21Å; D142-A146 PolarHBondContact O-N 3.11Å; D143-A146 PolarHBondContact O-N 2.94Å; A146-V149 PolarHBondContact O-N 2.74Å; A146-R150 WeakPolarHBondContact O-CB 3.23Å; A146-R150 PolarHBondContact O-N 2.97Å
147M98.8Very high98.7Very high19 Ų1967 Ų679%0.09433%0.328CS..Hα-helixtrans-63.9-44.2174.2-171.160.576.200112.1L92 I95 P96 L114 D143 G144 R145 V149 R150 I151L92-M147 HydrophobicContact CD1-CB 3.76Å; L92-M147 HydrophobicContact CD1-CE 4.26Å; L92-M147 HydrophobicContact CD1-CG 3.69Å; L92-M147 HydrophobicContact CG-CE 4.05Å; L92-M147 HydrophobicContact CG-CG 4.47Å; I95-M147 HydrophobicContact CB-CG 4.4Å; I95-M147 HydrophobicContact CG2-CG 4.09Å; I95-M147 HydrophobicContact CG2-SD 4.49Å; P96-M147 HydrophobicContact CB-SD 4.34Å; P96-M147 VanDerWaalsContact CD-SD 3.59Å; P96-M147 HydrophobicContact CG-CE 3.85Å; P96-M147 HydrophobicContact CG-SD 3.82Å; L114-M147 HydrophobicContact CD2-CB 3.92Å; L114-M147 HydrophobicContact CD2-CG 3.93Å; D143-M147 WeakPolarHBondContact O-CB 3.17Å; D143-M147 PolarHBondContact O-N 3.43Å; G144-M147 PolarHBondContact O-N 2.82Å; R145-M147 VanDerWaalsContact C-N 3.27Å; R145-M147 PolarHBondContact O-N 3.24Å; M147-V149 VanDerWaalsContact C-N 3.3Å; M147-V149 PolarHBondContact O-N 3.43Å; M147-R150 WeakPolarHBondContact O-CB 3.37Å; M147-R150 PolarHBondContact O-N 3.35Å; M147-R150 VanDerWaalsContact O-N 3.09Å; M147-R150 HydrophobicContact SD-CB 4.44Å; M147-I151 HydrophobicContact CG-CG2 4.32Å; M147-I151 WeakPolarHBondContact O-CG1 3.36Å; M147-I151 WeakPolarHBondContact O-CG2 3.45Å; M147-I151 PolarHBondContact O-N 3.42Å; M147-I151 HydrophobicContact SD-CG2 3.95Å
148A98.9Very high98.7Very high8 Ų862.6 Ų62.67%0.06631%0.307CS..Hα-helixtrans-57.6-43.6177.500000112.1L114 G144 R145 Q152 A153 Y156L114-A148 HydrophobicContact CB-CB 4.33Å; L114-A148 HydrophobicContact CD2-CB 3.92Å; G144-A148 PolarHBondContact O-N 3.13Å; R145-A148 WeakPolarHBondContact O-CB 3.07Å; R145-A148 PolarHBondContact O-N 3.24Å; A148-Q152 PolarHBondContact O-N 2.96Å; A148-Q152 VanDerWaalsContact O-N 3.1Å; A148-A153 HydrophobicContact CB-CB 4.06Å; A148-A153 PolarHBondContact O-N 2.79Å; A148-Y156 HydrophobicContact CB-CD2 4.43Å; A148-Y156 HydrophobicContact CB-CG 4.29Å
149V98.8Very high98.7Very high116 Ų11661.9 Ų61.970%0.70330%0.302SS*.Hα-helixtrans-62.1-47.5173.2174.50000110.8R145 A146 M147 I151 Q152R145-V149 WeakPolarHBondContact O-CG2 3.17Å; R145-V149 PolarHBondContact O-N 2.68Å; A146-V149 PolarHBondContact O-N 2.74Å; M147-V149 VanDerWaalsContact C-N 3.3Å; M147-V149 PolarHBondContact O-N 3.43Å; V149-I151 VanDerWaalsContact C-N 3.3Å; V149-I151 PolarHBondContact O-N 2.87Å; V149-Q152 PolarHBondContact O-N 3.38Å; V149-Q152 VanDerWaalsContact O-N 3.14Å
150R98.6Very high98.7Very high172 Ų17261.5 Ų61.565%0.64930%0.3SS*.Hα-helixtrans-56.8-41.5-179.5178.3179.8176.1-174.6-2.8112.4A146 M147 Q152A146-R150 WeakPolarHBondContact O-CB 3.23Å; A146-R150 PolarHBondContact O-N 2.97Å; M147-R150 WeakPolarHBondContact O-CB 3.37Å; M147-R150 PolarHBondContact O-N 3.35Å; M147-R150 VanDerWaalsContact O-N 3.09Å; M147-R150 HydrophobicContact SD-CB 4.44Å; R150-Q152 VanDerWaalsContact C-N 3.35Å
151I98.3Very high98.7Very high6 Ų655.2 Ų55.23%0.03128%0.279CS..Hα-helixtrans-89.3-5.4-17774175.5000113.2M82 I95 P96 V100 K104 I112 L114 M147 V149 A153M82-I151 HydrophobicContact SD-CD1 4.07Å; I95-I151 HydrophobicContact CG2-CD1 3.81Å; I95-I151 HydrophobicContact CG2-CG2 4.13Å; P96-I151 HydrophobicContact CB-CG2 4.44Å; V100-I151 HydrophobicContact CG2-CB 3.8Å; V100-I151 HydrophobicContact CG2-CD1 4.03Å; V100-I151 HydrophobicContact CG2-CG1 4.5Å; V100-I151 HydrophobicContact CG2-CG2 3.7Å; K104-I151 PolarHBondContact NZ-O 2.75Å; I112-I151 HydrophobicContact CG2-CD1 4.48Å; L114-I151 HydrophobicContact CB-CD1 4.4Å; L114-I151 HydrophobicContact CD1-CD1 4.24Å; L114-I151 HydrophobicContact CD2-CD1 4.37Å; M147-I151 HydrophobicContact CG-CG2 4.32Å; M147-I151 WeakPolarHBondContact O-CG1 3.36Å; M147-I151 WeakPolarHBondContact O-CG2 3.45Å; M147-I151 PolarHBondContact O-N 3.42Å; M147-I151 HydrophobicContact SD-CG2 3.95Å; V149-I151 VanDerWaalsContact C-N 3.3Å; V149-I151 PolarHBondContact O-N 2.87Å; I151-A153 HydrophobicContact CD1-CB 4.15Å; I151-A153 HydrophobicContact CG1-CB 3.94Å
152Q98Very high98.7Very high160 Ų16059.5 Ų59.575%0.74829%0.294SS*.THydrogen-bonded Turntrans60.343.8-172.9-51174.6-74.300112A148 V149 R150A148-Q152 PolarHBondContact O-N 2.96Å; A148-Q152 VanDerWaalsContact O-N 3.1Å; V149-Q152 PolarHBondContact O-N 3.38Å; V149-Q152 VanDerWaalsContact O-N 3.14Å; R150-Q152 VanDerWaalsContact C-N 3.35Å
153A98.7Very high98.7Very high19 Ų1957.5 Ų57.516%0.15729%0.286CS..  trans-61.8147.8171.500000110.1I112 L114 A148 I151 D155I112-A153 CarbonylContact O-C 3.53Å; I112-A153 WeakPolarHBondContact O-CA 3.27Å; I112-A153 WeakPolarHBondContact O-CB 3.48Å; L114-A153 HydrophobicContact CB-CB 4.13Å; A148-A153 HydrophobicContact CB-CB 4.06Å; A148-A153 PolarHBondContact O-N 2.79Å; I151-A153 HydrophobicContact CD1-CB 4.15Å; I151-A153 HydrophobicContact CG1-CB 3.94Å; A153-D155 VanDerWaalsContact C-N 3.3Å
154Y98.5Very high98.6Very high82 Ų8258 Ų5832%0.32229%0.285SS..SBendtrans-63.1-39.3173.8175-83.2000111.2P111 I112 I113 T173 A177 Q180P111-Y154 HydrophobicContact CB-CD2 4.42Å; P111-Y154 HydrophobicContact CB-CG 4.48Å; I112-Y154 WeakPolarHBondContact O-CB 3.45Å; I112-Y154 PolarHBondContact O-N 3.49Å; I113-Y154 HydrophobicContact CD1-CD1 3.45Å; I113-Y154 VanDerWaalsContact CD1-CD1 3.45Å; I113-Y154 HydrophobicContact CD1-CE1 4.38Å; I113-Y154 HydrophobicContact CD1-CG 3.97Å; Y154-T173 HydrophobicContact CD1-CG2 4.3Å; Y154-T173 HydrophobicContact CE1-CG2 4.04Å; Y154-A177 HydrophobicContact CD1-CB 3.78Å; Y154-A177 HydrophobicContact CD2-CB 4.01Å; Y154-A177 HydrophobicContact CE1-CB 3.8Å; Y154-A177 HydrophobicContact CE2-CB 4.01Å; Y154-A177 HydrophobicContact CG-CB 3.91Å; Y154-Q180 PolarHBondContact OH-NE2 3.18Å
155D98.7Very high98.6Very high66 Ų6662.3 Ų62.335%0.35331%0.305SS..EExtended strand (participates in β ladder)trans-156.1169173.9-148.9-19.4000111.2L114 A153 T173L114-D155 PolarHBondContact N-O 3.11Å; A153-D155 VanDerWaalsContact C-N 3.3Å; D155-T173 HydrophobicContact CB-CG2 3.87Å
156Y98.9Very high98.6Very high11 Ų1156.7 Ų56.74%0.04329%0.288CS..EExtended strand (participates in β ladder)trans-125.1125.3172.1173.3-107.9000111.1F84 L114 A116 T141 R145 A148 E158F84-Y156 AromaticContact CE1-CE2 3.92Å; F84-Y156 HydrophobicContact CE1-CE2 3.92Å; F84-Y156 HydrophobicContact CZ-CE2 4.02Å; L114-Y156 HydrophobicContact CB-CD2 4.21Å; L114-Y156 HydrophobicContact CD2-CD2 4Å; L114-Y156 HydrophobicContact CD2-CE2 4.44Å; L114-Y156 HydrophobicContact CG-CD2 4.04Å; L114-Y156 WeakPolarHBondContact O-CA 3.38Å; A116-Y156 HydrophobicContact CB-CE2 3.98Å; A116-Y156 WeakPolarHBondContact CB-OH 3.45Å; T141-Y156 HydrophobicContact CG2-CE1 4.27Å; R145-Y156 HydrophobicContact CB-CD1 4.36Å; R145-Y156 HydrophobicContact CG-CD1 3.42Å; R145-Y156 VanDerWaalsContact CG-CD1 3.42Å; R145-Y156 HydrophobicContact CG-CE1 3.79Å; R145-Y156 HydrophobicContact CG-CG 4.26Å; A148-Y156 HydrophobicContact CB-CD2 4.43Å; A148-Y156 HydrophobicContact CB-CG 4.29Å; Y156-E158 HydrophobicContact CE1-CG 3.68Å; Y156-E158 WeakPolarHBondContact OH-CG 3.49Å; Y156-E158 PolarHBondContact OH-OE1 3.11Å
157L98.9Very high98.6Very high32 Ų3254.1 Ų54.117%0.16827%0.266CS..EExtended strand (participates in β ladder)trans-131.7151.1-178.8-65.6161.5000110.6I113 L114 V115 A116 V170 T173I113-L157 HydrophobicContact CG2-CD1 3.94Å; L114-L157 PolarHBondContact O-N 3.38Å; V115-L157 CarbonylContact C-O 3.57Å; V115-L157 WeakPolarHBondContact CA-O 3.4Å; A116-L157 PolarHBondContact N-O 2.81Å; L157-V170 HydrophobicContact CB-CG2 3.83Å; L157-V170 HydrophobicContact CD1-CB 4.46Å; L157-V170 HydrophobicContact CD1-CG2 4.16Å; L157-T173 HydrophobicContact CD1-CG2 3.9Å
158E98.9Very high98.6Very high25 Ų2560.7 Ų60.712%0.11729%0.29CS..EExtended strand (participates in β ladder)trans-121.7137.1174.2-48.8-167.7162.700109.3A116 K119 R122 T141 Y156A116-E158 HydrophobicContact CB-CB 4.24Å; A116-E158 HydrophobicContact CB-CG 3.96Å; A116-E158 WeakPolarHBondContact O-CA 3.4Å; K119-E158 HydrophobicContact CB-CB 4.46Å; K119-E158 HydrophobicContact CD-CB 3.88Å; K119-E158 HydrophobicContact CG-CB 4.18Å; R122-E158 IonicContact CZ-OE1 2.87Å; R122-E158 IonicContact CZ-OE2 2.89Å; R122-E158 VanDerWaalsContact CZ-OE2 3.24Å; R122-E158 IonicContact NH1-OE1 3.24Å; R122-E158 IonicContact NH1-OE2 2.67Å; R122-E158 PolarHBondContact NH1-OE2 3.07Å; R122-E158 IonicContact NH2-OE1 2.96Å; R122-E158 PolarHBondContact NH2-OE1 3.48Å; R122-E158 IonicContact NH2-OE2 2.73Å; R122-E158 PolarHBondContact NH2-OE2 3.41Å; T141-E158 WeakPolarHBondContact CA-OE1 3.41Å; T141-E158 VanDerWaalsContact CB-OE1 3.23Å; T141-E158 WeakPolarHBondContact CB-OE1 3.37Å; T141-E158 WeakPolarHBondContact CG2-OE1 3.47Å; T141-E158 PolarHBondContact OG1-OE1 2.94Å; T141-E158 PolarHBondContact OG1-OE2 2.9Å; Y156-E158 HydrophobicContact CE1-CG 3.68Å; Y156-E158 WeakPolarHBondContact OH-CG 3.49Å; Y156-E158 PolarHBondContact OH-OE1 3.11Å
159C98.9Very high98.6Very high0 Ų065 Ų650%031%0.308CS..  trans-145.8163179.3630000112.2A116 N117 K118 K119 E165 V167 V170A116-C159 PolarHBondContact O-N 2.93Å; N117-C159 CarbonylContact C-O 3.48Å; N117-C159 PolarHBondContact OD1-SG 3.4Å; N117-C159 VanDerWaalsContact OD1-SG 3.36Å; K118-C159 PolarHBondContact N-O 3.02Å; K119-C159 WeakPolarHBondContact CB-O 3.24Å; K119-C159 PolarHBondContact N-O 3.27Å; C159-E165 CarbonylContact C-O 3.41Å; C159-E165 WeakPolarHBondContact CA-O 3.4Å; C159-E165 WeakPolarHBondContact CB-O 3.18Å; C159-V167 HydrophobicContact CB-CG2 4.38Å; C159-V170 HydrophobicContact CB-CG2 4.17Å
160S98.8Very high98.6Very high0 Ų059.4 Ų59.40%027%0.274CS..  trans-125.5115.3165.31750000108.9D120 K162 T163 K164 E165D120-S160 VanDerWaalsContact CG-OG 3.22Å; D120-S160 WeakPolarHBondContact OD1-CB 3.21Å; D120-S160 PolarHBondContact OD1-OG 2.56Å; S160-K162 PolarHBondContact O-N 3.43Å; S160-K162 PolarHBondContact OG-N 2.88Å; S160-T163 VanDerWaalsContact CB-OG1 3.24Å; S160-T163 WeakPolarHBondContact CB-OG1 3.22Å; S160-T163 PolarHBondContact OG-N 3.4Å; S160-T163 VanDerWaalsContact OG-N 3.15Å; S160-T163 PolarHBondContact OG-OG1 3.15Å; S160-K164 CarbonylContact O-C 3.56Å; S160-K164 WeakPolarHBondContact O-CA 3.31Å; S160-K164 PolarHBondContact O-N 3.25Å; S160-E165 PolarHBondContact N-O 3.39Å; S160-E165 PolarHBondContact O-N 3.39Å
161A98.7Very high98.6Very high10 Ų1051.2 Ų51.28%0.08324%0.244CC..THydrogen-bonded Turntrans-61.1-34.6169.800000110.9C20 V24 F30 K164C20-A161 HydrophobicContact CB-CB 3.88Å; V24-A161 HydrophobicContact CB-CB 4.38Å; V24-A161 HydrophobicContact CG2-CB 3.97Å; V24-A161 WeakPolarHBondContact CG2-O 3.23Å; F30-A161 HydrophobicContact CD2-CB 4.01Å; F30-A161 HydrophobicContact CE2-CB 4Å; A161-K164 PolarHBondContact O-N 2.89Å
162K98Very high98.6Very high132 Ų13253.2 Ų53.257%0.57425%0.253SS*.THydrogen-bonded Turntrans-65.6-42.9-178.3-173.6-179.8179.8-176.90112.6F30 S160F30-K162 HydrophobicContact CD2-CB 4.24Å; F30-K162 HydrophobicContact CE2-CB 3.96Å; F30-K162 HydrophobicContact CZ-CB 4.18Å; S160-K162 PolarHBondContact O-N 3.43Å; S160-K162 PolarHBondContact OG-N 2.88Å
163T98.1Very high98.7Very high77 Ų7746.3 Ų46.347%0.47222%0.221SC..THydrogen-bonded Turntrans-95.9-3.7178.969.30000113.3D120 S160 E165D120-T163 HydrophobicContact CB-CG2 4Å; S160-T163 VanDerWaalsContact CB-OG1 3.24Å; S160-T163 WeakPolarHBondContact CB-OG1 3.22Å; S160-T163 PolarHBondContact OG-N 3.4Å; S160-T163 VanDerWaalsContact OG-N 3.15Å; S160-T163 PolarHBondContact OG-OG1 3.15Å; T163-E165 PolarHBondContact O-N 3.18Å; T163-E165 VanDerWaalsContact OG1-CB 3.32Å; T163-E165 WeakPolarHBondContact OG1-CB 3.32Å; T163-E165 PolarHBondContact OG1-N 3.17Å
164K98.3Very high98.7Very high91 Ų9145.4 Ų45.440%0.39621%0.214SC..  trans63.53.2-170.7-50.9-176.5175.7-174.50114.8V24 D28 S160 A161 G166V24-K164 HydrophobicContact CG1-CG 3.93Å; D28-K164 WeakPolarHBondContact O-CE 3.44Å; D28-K164 PolarHBondContact O-NZ 3.13Å; D28-K164 WeakPolarHBondContact OD1-CE 3.33Å; D28-K164 IonicContact OD1-NZ 2.97Å; D28-K164 PolarHBondContact OD1-NZ 3.4Å; D28-K164 IonicContact OD2-NZ 3.97Å; D28-K164 PolarHBondContact OD2-NZ 2.92Å; S160-K164 CarbonylContact O-C 3.56Å; S160-K164 WeakPolarHBondContact O-CA 3.31Å; S160-K164 PolarHBondContact O-N 3.25Å; A161-K164 PolarHBondContact O-N 2.89Å; K164-G166 PolarHBondContact O-N 3.34Å
165E98.7Very high98.7Very high90 Ų9041.5 Ų41.542%0.42120%0.199SC..THydrogen-bonded Turntrans-63.6130.2178.4-172.8-170.417300111K119 C159 S160 T163 V167K119-E165 IonicContact NZ-OE1 3.63Å; K119-E165 PolarHBondContact NZ-OE1 3.35Å; C159-E165 CarbonylContact C-O 3.41Å; C159-E165 WeakPolarHBondContact CA-O 3.4Å; C159-E165 WeakPolarHBondContact CB-O 3.18Å; S160-E165 PolarHBondContact N-O 3.39Å; S160-E165 PolarHBondContact O-N 3.39Å; T163-E165 PolarHBondContact O-N 3.18Å; T163-E165 VanDerWaalsContact OG1-CB 3.32Å; T163-E165 WeakPolarHBondContact OG1-CB 3.32Å; T163-E165 PolarHBondContact OG1-N 3.17Å; E165-V167 PolarHBondContact O-N 3.28Å; E165-V167 VanDerWaalsContact O-N 3.11Å
166G98.7Very high98.6Very high14 Ų1442.1 Ų42.114%0.14420%0.196CC..THydrogen-bonded Turntrans75.3-7.717300000115.3K164 E169 V170K164-G166 PolarHBondContact O-N 3.34Å; G166-E169 WeakPolarHBondContact CA-OE2 3.37Å; G166-E169 PolarHBondContact O-N 3.39Å; G166-V170 WeakPolarHBondContact O-CG2 3.48Å; G166-V170 PolarHBondContact O-N 2.89Å; G166-V170 VanDerWaalsContact O-N 3.16Å
167V98.8Very high98.6Very high7 Ų741.8 Ų41.84%0.04220%0.195CC..Hα-helixtrans-62.4-48.6-174.8172.30000110.4L21 V24 F25 C159 E165 E169 V170 F171L21-V167 HydrophobicContact CD1-CB 4.37Å; L21-V167 HydrophobicContact CD1-CG1 3.97Å; L21-V167 HydrophobicContact CD1-CG2 4.05Å; V24-V167 HydrophobicContact CG1-CG1 4.27Å; V24-V167 HydrophobicContact CG1-CG2 4.25Å; F25-V167 HydrophobicContact CB-CG1 3.88Å; C159-V167 HydrophobicContact CB-CG2 4.38Å; E165-V167 PolarHBondContact O-N 3.28Å; E165-V167 VanDerWaalsContact O-N 3.11Å; V167-E169 VanDerWaalsContact C-N 3.33Å; V167-E169 PolarHBondContact O-N 2.95Å; V167-V170 WeakPolarHBondContact O-CB 3.42Å; V167-V170 PolarHBondContact O-N 2.73Å; V167-F171 HydrophobicContact CG1-CD2 4.27Å; V167-F171 HydrophobicContact CG1-CE2 4.1Å; V167-F171 VanDerWaalsContact O-CD2 3.23Å; V167-F171 WeakPolarHBondContact O-CD2 3.48Å; V167-F171 PolarHBondContact O-N 3.36Å
168R98.1Very high98.5Very high157 Ų15740.4 Ų40.459%0.59219%0.189SC*.Hα-helixtrans-62.7-42.4-178.3-178173174.5145.64.6111.5V170 F171 E172R168-V170 VanDerWaalsContact C-N 3.28Å; R168-V170 PolarHBondContact O-N 2.67Å; R168-F171 PolarHBondContact O-N 2.86Å; R168-F171 VanDerWaalsContact O-N 3.14Å; R168-E172 HydrophobicContact CG-CG 4.17Å; R168-E172 IonicContact CZ-OE1 2.99Å; R168-E172 IonicContact NE-OE1 2.69Å; R168-E172 PolarHBondContact NE-OE1 2.98Å; R168-E172 IonicContact NH2-OE1 3.8Å; R168-E172 PolarHBondContact NH2-OE1 3.3Å; R168-E172 WeakPolarHBondContact O-CG 3.43Å; R168-E172 PolarHBondContact O-N 3.14Å
169E98.8Very high98.4Very high97 Ų9740.8 Ų40.845%0.45319%0.191SC..Hα-helixtrans-61.3-36179.9-65.181.3173.800112.1G166 V167 T173G166-E169 WeakPolarHBondContact CA-OE2 3.37Å; G166-E169 PolarHBondContact O-N 3.39Å; V167-E169 VanDerWaalsContact C-N 3.33Å; V167-E169 PolarHBondContact O-N 2.95Å; E169-T173 VanDerWaalsContact O-CB 3.27Å; E169-T173 WeakPolarHBondContact O-CB 3.26Å; E169-T173 PolarHBondContact O-N 3.3Å; E169-T173 PolarHBondContact O-OG1 3.32Å
170V98.9Very high98Very high0 Ų046 Ų460%022%0.216CC..Hα-helixtrans-58.1-51.4172.1170.10000111.1L21 L81 V115 L157 C159 G166 V167 R168 T173 A174L21-V170 HydrophobicContact CD2-CG1 4.37Å; L81-V170 HydrophobicContact CD1-CG1 3.79Å; L81-V170 HydrophobicContact CD2-CG1 3.91Å; V115-V170 HydrophobicContact CG1-CG1 4.44Å; V115-V170 HydrophobicContact CG1-CG2 3.97Å; V115-V170 HydrophobicContact CG2-CG1 3.87Å; V115-V170 HydrophobicContact CG2-CG2 4.34Å; L157-V170 HydrophobicContact CB-CG2 3.83Å; L157-V170 HydrophobicContact CD1-CB 4.46Å; L157-V170 HydrophobicContact CD1-CG2 4.16Å; C159-V170 HydrophobicContact CB-CG2 4.17Å; G166-V170 WeakPolarHBondContact O-CG2 3.48Å; G166-V170 PolarHBondContact O-N 2.89Å; G166-V170 VanDerWaalsContact O-N 3.16Å; V167-V170 WeakPolarHBondContact O-CB 3.42Å; V167-V170 PolarHBondContact O-N 2.73Å; R168-V170 VanDerWaalsContact C-N 3.28Å; R168-V170 PolarHBondContact O-N 2.67Å; V170-T173 PolarHBondContact O-N 3.01Å; V170-A174 VanDerWaalsContact O-CB 3.31Å; V170-A174 WeakPolarHBondContact O-CB 3.43Å; V170-A174 PolarHBondContact O-N 3.41Å
171F98.8Very high96.5Very high0 Ų054.4 Ų54.40%025%0.253CS..Hα-helixtrans-75.7-32.5-176.6-69.3-83000113.1L8 L21 L22 F25 I46 L55 L57 L81 V167 R168 T175L8-F171 HydrophobicContact CD1-CD1 3.99Å; L8-F171 HydrophobicContact CD1-CE1 4.14Å; L21-F171 HydrophobicContact CD1-CE2 3.86Å; L21-F171 HydrophobicContact CD1-CZ 4.46Å; L21-F171 HydrophobicContact CG-CE2 3.93Å; L21-F171 HydrophobicContact CG-CZ 4.03Å; L22-F171 HydrophobicContact CD2-CE1 3.85Å; L22-F171 HydrophobicContact CD2-CZ 3.77Å; F25-F171 HydrophobicContact CB-CD2 3.62Å; F25-F171 HydrophobicContact CB-CE1 4.49Å; F25-F171 HydrophobicContact CB-CE2 3.26Å; F25-F171 HydrophobicContact CB-CG 4.4Å; F25-F171 HydrophobicContact CB-CZ 3.75Å; F25-F171 HydrophobicContact CD1-CB 4.42Å; F25-F171 AromaticContact CD1-CD1 3.58Å; F25-F171 HydrophobicContact CD1-CD1 3.58Å; F25-F171 AromaticContact CD1-CD2 3.73Å; F25-F171 HydrophobicContact CD1-CD2 3.73Å; F25-F171 AromaticContact CD1-CE1 3.64Å; F25-F171 HydrophobicContact CD1-CE1 3.64Å; F25-F171 AromaticContact CD1-CE2 3.82Å; F25-F171 HydrophobicContact CD1-CE2 3.82Å; F25-F171 AromaticContact CD1-CG 3.62Å; F25-F171 HydrophobicContact CD1-CG 3.62Å; F25-F171 AromaticContact CD1-CZ 3.76Å; F25-F171 HydrophobicContact CD1-CZ 3.76Å; F25-F171 HydrophobicContact CD2-CB 3.95Å; F25-F171 HydrophobicContact CD2-CD1 4.47Å; F25-F171 AromaticContact CD2-CD2 3.37Å; F25-F171 HydrophobicContact CD2-CD2 3.37Å; F25-F171 AromaticContact CD2-CE2 4Å; F25-F171 HydrophobicContact CD2-CE2 4Å; F25-F171 AromaticContact CD2-CG 3.67Å; F25-F171 HydrophobicContact CD2-CG 3.67Å; F25-F171 HydrophobicContact CE1-CB 4.05Å; F25-F171 AromaticContact CE1-CD1 3.59Å; F25-F171 HydrophobicContact CE1-CD1 3.59Å; F25-F171 HydrophobicContact CE1-CD2 4.22Å; F25-F171 HydrophobicContact CE1-CE1 4.07Å; F25-F171 AromaticContact CE1-CG 3.68Å; F25-F171 HydrophobicContact CE1-CG 3.68Å; F25-F171 HydrophobicContact CE2-CB 3.56Å; F25-F171 HydrophobicContact CE2-CD1 4.49Å; F25-F171 AromaticContact CE2-CD2 3.93Å; F25-F171 HydrophobicContact CE2-CD2 3.93Å; F25-F171 AromaticContact CE2-CG 3.74Å; F25-F171 HydrophobicContact CE2-CG 3.74Å; F25-F171 HydrophobicContact CG-CB 4.36Å; F25-F171 HydrophobicContact CG-CD1 4.04Å; F25-F171 AromaticContact CG-CD2 3.26Å; F25-F171 HydrophobicContact CG-CD2 3.26Å; F25-F171 HydrophobicContact CG-CE1 4.13Å; F25-F171 AromaticContact CG-CE2 3.41Å; F25-F171 HydrophobicContact CG-CE2 3.41Å; F25-F171 VanDerWaalsContact CG-CE2 3.41Å; F25-F171 AromaticContact CG-CG 3.62Å; F25-F171 HydrophobicContact CG-CG 3.62Å; F25-F171 AromaticContact CG-CZ 3.84Å; F25-F171 HydrophobicContact CG-CZ 3.84Å; F25-F171 HydrophobicContact CZ-CB 3.62Å; F25-F171 HydrophobicContact CZ-CD1 4.08Å; F25-F171 HydrophobicContact CZ-CD2 4.32Å; F25-F171 AromaticContact CZ-CG 3.75Å; F25-F171 HydrophobicContact CZ-CG 3.75Å; I46-F171 HydrophobicContact CD1-CB 4.05Å; L55-F171 HydrophobicContact CD1-CD1 4.21Å; L57-F171 HydrophobicContact CD2-CD1 4.26Å; L57-F171 HydrophobicContact CD2-CE1 3.9Å; L81-F171 HydrophobicContact CD1-CE1 3.98Å; L81-F171 HydrophobicContact CD1-CZ 4.19Å; V167-F171 HydrophobicContact CG1-CD2 4.27Å; V167-F171 HydrophobicContact CG1-CE2 4.1Å; V167-F171 VanDerWaalsContact O-CD2 3.23Å; V167-F171 WeakPolarHBondContact O-CD2 3.48Å; V167-F171 PolarHBondContact O-N 3.36Å; R168-F171 PolarHBondContact O-N 2.86Å; R168-F171 VanDerWaalsContact O-N 3.14Å; F171-T175 WeakPolarHBondContact O-CB 3.29Å; F171-T175 PolarHBondContact O-N 2.77Å; F171-T175 PolarHBondContact O-OG1 3.25Å
172E98.6Very high94.7Very high47 Ų4759.8 Ų59.822%0.2227%0.271CS..Hα-helixtrans-62.9-44.6171.9-72.4-176.6175.100111.1I46 V48 R168 T175 R176I46-E172 HydrophobicContact CD1-CG 3.83Å; V48-E172 HydrophobicContact CG2-CB 4.33Å; V48-E172 HydrophobicContact CG2-CG 4.17Å; R168-E172 HydrophobicContact CG-CG 4.17Å; R168-E172 IonicContact CZ-OE1 2.99Å; R168-E172 IonicContact NE-OE1 2.69Å; R168-E172 PolarHBondContact NE-OE1 2.98Å; R168-E172 IonicContact NH2-OE1 3.8Å; R168-E172 PolarHBondContact NH2-OE1 3.3Å; R168-E172 WeakPolarHBondContact O-CG 3.43Å; R168-E172 PolarHBondContact O-N 3.14Å; E172-T175 PolarHBondContact O-N 2.92Å; E172-R176 WeakPolarHBondContact O-CB 3.34Å; E172-R176 PolarHBondContact O-N 3.26Å
173T98.8Very high92.3Very high15 Ų1564.6 Ų64.69%0.09229%0.287CS..Hα-helixtrans-67.6-44.1178.5-56.60000111.8I113 Y154 D155 L157 E169 V170 T175 R176 A177I113-T173 HydrophobicContact CD1-CG2 4.24Å; Y154-T173 HydrophobicContact CD1-CG2 4.3Å; Y154-T173 HydrophobicContact CE1-CG2 4.04Å; D155-T173 HydrophobicContact CB-CG2 3.87Å; L157-T173 HydrophobicContact CD1-CG2 3.9Å; E169-T173 VanDerWaalsContact O-CB 3.27Å; E169-T173 WeakPolarHBondContact O-CB 3.26Å; E169-T173 PolarHBondContact O-N 3.3Å; E169-T173 PolarHBondContact O-OG1 3.32Å; V170-T173 PolarHBondContact O-N 3.01Å; T173-T175 VanDerWaalsContact C-N 3.34Å; T173-T175 PolarHBondContact O-N 3.32Å; T173-R176 PolarHBondContact O-N 3.18Å; T173-A177 PolarHBondContact O-N 2.85Å
174A98.8Very high89.9Confident0 Ų064.1 Ų64.10%030%0.297CS..Hα-helixtrans-61.9-42.117600000111.9L8 V79 L81 I113 V170 A177 A178L8-A174 HydrophobicContact CD1-CB 3.79Å; V79-A174 HydrophobicContact CG1-CB 4.27Å; V79-A174 HydrophobicContact CG2-CB 4.14Å; L81-A174 HydrophobicContact CD2-CB 3.74Å; I113-A174 HydrophobicContact CG1-CB 3.99Å; V170-A174 VanDerWaalsContact O-CB 3.31Å; V170-A174 WeakPolarHBondContact O-CB 3.43Å; V170-A174 PolarHBondContact O-N 3.41Å; A174-A177 PolarHBondContact O-N 3.22Å; A174-A178 WeakPolarHBondContact O-CB 3.38Å; A174-A178 PolarHBondContact O-N 2.93Å
175T98.5Very high87.4Confident0 Ų065 Ų650%032%0.315CS..Hα-helixtrans-63.5-44.1175.9-59.80000111.1I46 V48 V53 F171 E172 T173 A177 A178 L179I46-T175 HydrophobicContact CG2-CG2 4.16Å; V48-T175 HydrophobicContact CB-CG2 3.94Å; V48-T175 HydrophobicContact CG2-CG2 3.68Å; V53-T175 HydrophobicContact CB-CG2 4.01Å; V53-T175 HydrophobicContact CG1-CG2 4.06Å; V53-T175 HydrophobicContact CG2-CG2 3.81Å; F171-T175 WeakPolarHBondContact O-CB 3.29Å; F171-T175 PolarHBondContact O-N 2.77Å; F171-T175 PolarHBondContact O-OG1 3.25Å; E172-T175 PolarHBondContact O-N 2.92Å; T173-T175 VanDerWaalsContact C-N 3.34Å; T173-T175 PolarHBondContact O-N 3.32Å; T175-A177 VanDerWaalsContact C-N 3.32Å; T175-A177 PolarHBondContact O-N 2.92Å; T175-A178 WeakPolarHBondContact O-CB 3.21Å; T175-A178 PolarHBondContact O-N 3.35Å; T175-L179 HydrophobicContact CG2-CD1 3.91Å; T175-L179 HydrophobicContact CG2-CG 4.31Å; T175-L179 WeakPolarHBondContact O-CB 3.28Å; T175-L179 WeakPolarHBondContact O-CG 3.47Å; T175-L179 PolarHBondContact O-N 3.44Å
176R97.9Very high84.7Confident79 Ų7969.5 Ų69.530%0.29834%0.336SS..Hα-helixtrans-59.3-44.1175.9-170.2174.6-65.4106.30.3111.5V48 D49 E172 T173 L179 Q180V48-R176 HydrophobicContact CG1-CB 4.31Å; D49-R176 IonicContact OD1-CZ 3.64Å; D49-R176 IonicContact OD1-NE 2.8Å; D49-R176 IonicContact OD1-NH2 2.75Å; D49-R176 PolarHBondContact OD1-NH2 3.06Å; D49-R176 IonicContact OD2-CZ 2.69Å; D49-R176 IonicContact OD2-NE 3Å; D49-R176 PolarHBondContact OD2-NE 2.95Å; D49-R176 IonicContact OD2-NH2 2.94Å; E172-R176 WeakPolarHBondContact O-CB 3.34Å; E172-R176 PolarHBondContact O-N 3.26Å; T173-R176 PolarHBondContact O-N 3.18Å; R176-L179 PolarHBondContact O-N 3.41Å; R176-Q180 WeakPolarHBondContact O-CG 3.33Å; R176-Q180 PolarHBondContact O-N 2.87Å
177A98.4Very high81.8Confident4 Ų476.6 Ų76.63%0.03337%0.37CS..Hα-helixtrans-62.2-44.7175.100000111.9V79 P111 I113 Y154 T173 A174 T175 L179 Q180V79-A177 HydrophobicContact CG2-CB 4.26Å; P111-A177 HydrophobicContact CB-CB 4.04Å; P111-A177 HydrophobicContact CG-CB 4.02Å; I113-A177 HydrophobicContact CD1-CB 4.01Å; Y154-A177 HydrophobicContact CD1-CB 3.78Å; Y154-A177 HydrophobicContact CD2-CB 4.01Å; Y154-A177 HydrophobicContact CE1-CB 3.8Å; Y154-A177 HydrophobicContact CE2-CB 4.01Å; Y154-A177 HydrophobicContact CG-CB 3.91Å; T173-A177 PolarHBondContact O-N 2.85Å; A174-A177 PolarHBondContact O-N 3.22Å; T175-A177 VanDerWaalsContact C-N 3.32Å; T175-A177 PolarHBondContact O-N 2.92Å; A177-L179 VanDerWaalsContact C-N 3.26Å; A177-L179 PolarHBondContact O-N 3.47Å; A177-Q180 PolarHBondContact O-N 3.38Å
178A97.6Very high78.8Confident4 Ų479.5 Ų79.53%0.03340%0.402CS..Hα-helixtrans-63.2-29.1178.100000113.6K6 D78 V79 A174 T175K6-A178 HydrophobicContact CB-CB 4.23Å; K6-A178 HydrophobicContact CD-CB 4.06Å; K6-A178 WeakPolarHBondContact CE-O 3.28Å; K6-A178 HydrophobicContact CG-CB 4.11Å; K6-A178 PolarHBondContact NZ-O 3.37Å; D78-A178 HydrophobicContact CB-CB 3.92Å; V79-A178 HydrophobicContact CB-CB 3.93Å; V79-A178 HydrophobicContact CG1-CB 3.82Å; A174-A178 WeakPolarHBondContact O-CB 3.38Å; A174-A178 PolarHBondContact O-N 2.93Å; T175-A178 WeakPolarHBondContact O-CB 3.21Å; T175-A178 PolarHBondContact O-N 3.35Å
179L96.2Very high75.9Confident32 Ų3277.8 Ų77.817%0.16841%0.413CS..Hα-helixtrans-82-14.1179.1-72.5171.3000113.7I4 K6 K51 V53 T175 R176 A177 K181I4-L179 HydrophobicContact CD1-CD2 4.4Å; I4-L179 HydrophobicContact CG2-CD2 3.72Å; K6-L179 HydrophobicContact CG-CD2 4.47Å; K51-L179 HydrophobicContact CD-CD1 4.09Å; V53-L179 HydrophobicContact CG2-CD1 4.04Å; V53-L179 HydrophobicContact CG2-CD2 4.09Å; V53-L179 HydrophobicContact CG2-CG 4.43Å; T175-L179 HydrophobicContact CG2-CD1 3.91Å; T175-L179 HydrophobicContact CG2-CG 4.31Å; T175-L179 WeakPolarHBondContact O-CB 3.28Å; T175-L179 WeakPolarHBondContact O-CG 3.47Å; T175-L179 PolarHBondContact O-N 3.44Å; R176-L179 PolarHBondContact O-N 3.41Å; A177-L179 VanDerWaalsContact C-N 3.26Å; A177-L179 PolarHBondContact O-N 3.47Å; L179-K181 PolarHBondContact O-N 3.4Å
180Q89.5Confident73.3Confident109 Ų10980.9 Ų80.951%0.50943%0.431SS..SBendtrans-65.4131.3177-66.3-169.5-6.900110.2Y154 R176 A177 R182Y154-Q180 PolarHBondContact OH-NE2 3.18Å; R176-Q180 WeakPolarHBondContact O-CG 3.33Å; R176-Q180 PolarHBondContact O-N 2.87Å; A177-Q180 PolarHBondContact O-N 3.38Å; Q180-R182 PolarHBondContact O-N 3.43Å; Q180-R182 VanDerWaalsContact O-N 3.15Å
181K67.5Low70.3Confident178 Ų17887.3 Ų87.377%0.77447%0.465SS*.  trans-63.7118.5175.3-68.4-176-179.8179.50108.3L179 Y183L179-K181 PolarHBondContact O-N 3.4Å; K181-Y183 PolarHBondContact O-N 2.95Å
182R62.1Low67.4Low123 Ų12393 Ų9346%0.46450%0.504SS..  trans-63.4105.2169.1-65.2-175.9-178.5170.84.9107.7T77 D78 Q180 G184T77-R182 PolarHBondContact O-NH2 2.92Å; D78-R182 PolarHBondContact O-NH2 2.93Å; Q180-R182 PolarHBondContact O-N 3.43Å; Q180-R182 VanDerWaalsContact O-N 3.15Å; R182-G184 PolarHBondContact O-N 2.97Å
183Y48.2Very low64.3Low233 Ų23397 Ų9791%0.91454%0.535SS*.THydrogen-bonded Turntrans-68.518.3176.6-87.3-83000113.7K181K181-Y183 PolarHBondContact O-N 2.95Å
184G47.7Very low61.2Low67 Ų67105.2 Ų105.269%0.69157%0.57SS**THydrogen-bonded Turntrans-127.920.2-16400000117.8R182R182-G184 PolarHBondContact O-N 2.97Å
185S45.1Very low58.2Low110 Ų110112.1 Ų112.177%0.76961%0.611SS**  trans-136.753.2173.51770000112.6
186Q41.1Very low55.2Low184 Ų184123.5 Ų123.586%0.8667%0.671SS**SBendtrans-11089.6144.6-74.2-1671.400106.2
187N38.8Very low53.1Low162 Ų162125.7 Ų125.787%0.86669%0.69SS**SBendtrans146.8103.6152.1-72.7-20.6000112
188G36.5Very low50.7Low68 Ų68132.1 Ų132.170%0.70172%0.724SS**  trans81.382.8135.400000118.3
189C36.4Very low48.1Very low122 Ų122139.2 Ų139.282%0.82476%0.763SS**  trans-129.782.2140.2-86.90000108.7N191C189-N191 PolarHBondContact O-N 3.43Å
190I43.1Very low45.2Very low161 Ų161145.5 Ų145.583%0.82680%0.798SS**  trans-78.7-0.8173.2-73.5174.9000112
191N36.3Very low42.5Very low136 Ų136147.8 Ų147.873%0.72782%0.816SS**  trans-131.918.6-163-88-18.2000119.6C189C189-N191 PolarHBondContact O-N 3.43Å
192C37.4Very low40.8Very low120 Ų120145.8 Ų145.881%0.81182%0.818SS**SBendtrans-91.73.3173.4-82.90000116.1K194C192-K194 PolarHBondContact O-N 2.75Å
193C34.3Very low39.3Very low131 Ų131147.4 Ų147.489%0.88584%0.844SS**  trans-97.760.9170.1-89.10000111.8
194K33.8Very low38.6Very low187 Ų187140.8 Ų140.881%0.81384%0.838SS**  trans-150.975.1161.8-72.7-163.8-179.2177.70110.5C192C192-K194 PolarHBondContact O-N 2.75Å
195V36.1Very low37.8Very low144 Ų144147 Ų14787%0.87385%0.851SS**  trans-123.495.7151.1-171.40000105.7
196L35.1Very low37.2Very low239 Ų239150.4 Ų150.4100%1.25186%0.858SS**  trans-680151.7-75.9162.7000108.6

Retrieved 196 of 196 residues in 56.2 ms (Link to these results)

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