A0A087XI11_POEFO Loading...

diphthine methyl ester synthase

S-adenosyl-L-methionine-dependent methyltransferase that catalyzes four methylations of the modified target histidine residue in translation elongation factor 2 (EF-2), to form an intermediate called diphthine methyl ester. The four successive methylation reactions represent the second step of diphthamide biosynthesis.

AlphaFold DB , UniProt , Accession A0A087XI11, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 289 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M95.1Very high95.3Very high44 Ų4414.7 Ų14.722%0.2178%0.075CC..  01500-175.417365.400109.9Y3 A72 T75 D76 V77 P104 R106M1-Y3 HydrophobicContact CB-CE2 4.37Å; M1-Y3 HydrophobicContact CE-CD1 4.23Å; M1-Y3 HydrophobicContact CE-CD2 4.09Å; M1-Y3 HydrophobicContact CE-CE1 3.5Å; M1-Y3 VanDerWaalsContact CE-CE1 3.5Å; M1-Y3 HydrophobicContact CE-CE2 3.31Å; M1-Y3 WeakPolarHBondContact CE-OH 3.41Å; M1-A72 CarbonylContact C-O 3.49Å; M1-A72 WeakPolarHBondContact CA-O 3.28Å; M1-A72 PolarHBondContact N-O 3.17Å; M1-T75 PolarHBondContact N-O 2.85Å; M1-D76 WeakPolarHBondContact CB-OD1 3.41Å; M1-D76 PolarHBondContact N-OD1 3.03Å; M1-D76 WeakPolarHBondContact O-CA 3.1Å; M1-V77 PolarHBondContact O-N 3.39Å; M1-P104 WeakPolarHBondContact CA-O 3.47Å; M1-P104 HydrophobicContact CB-CG 4.06Å; M1-P104 HydrophobicContact CG-CB 3.98Å; M1-P104 HydrophobicContact CG-CG 3.99Å; M1-P104 WeakPolarHBondContact CG-O 3.31Å; M1-P104 HydrophobicContact SD-CB 4.41Å; M1-R106 HydrophobicContact CE-CB 4.04Å; M1-R106 HydrophobicContact SD-CB 4.22Å
2L97.9Very high95.1Very high0 Ų014.3 Ų14.30%08%0.075CC..EExtended strand (participates in β ladder)trans-88.6128172-179.669.8000111.3L4 L69 V77 F79 L94 A98 I103 P104 Y105 R106L2-L4 HydrophobicContact CD2-CD1 3.6Å; L2-L4 HydrophobicContact CG-CD1 3.84Å; L2-L69 HydrophobicContact CD1-CD2 4.34Å; L2-L69 HydrophobicContact CD2-CD2 3.71Å; L2-L69 HydrophobicContact CG-CD2 4.48Å; L2-V77 CarbonylContact C-O 3.57Å; L2-V77 WeakPolarHBondContact CA-O 3.44Å; L2-V77 HydrophobicContact CD1-CB 4.44Å; L2-V77 HydrophobicContact CD1-CG1 4.36Å; L2-F79 HydrophobicContact CD1-CB 4.37Å; L2-L94 HydrophobicContact CD2-CD2 4.47Å; L2-L94 HydrophobicContact CD2-CG 4.24Å; L2-A98 HydrophobicContact CD2-CB 3.93Å; L2-I103 HydrophobicContact CB-CG2 4.25Å; L2-P104 PolarHBondContact N-O 2.6Å; L2-Y105 CarbonylContact O-C 3.49Å; L2-Y105 WeakPolarHBondContact O-CA 3.37Å; L2-R106 PolarHBondContact O-N 3.14Å
3Y98.3Very high95.1Very high23 Ų2319 Ų199%0.0911%0.105CC..EExtended strand (participates in β ladder)trans-107.3121.9171-68-102.6000110.1M1 A22 D76 V77 A78 F79 R106 I108M1-Y3 HydrophobicContact CB-CE2 4.37Å; M1-Y3 HydrophobicContact CE-CD1 4.23Å; M1-Y3 HydrophobicContact CE-CD2 4.09Å; M1-Y3 HydrophobicContact CE-CE1 3.5Å; M1-Y3 VanDerWaalsContact CE-CE1 3.5Å; M1-Y3 HydrophobicContact CE-CE2 3.31Å; M1-Y3 WeakPolarHBondContact CE-OH 3.41Å; Y3-A22 HydrophobicContact CD1-CB 3.83Å; Y3-A22 HydrophobicContact CE1-CB 3.94Å; Y3-A22 HydrophobicContact CG-CB 4.45Å; Y3-D76 HydrophobicContact CE2-CB 3.94Å; Y3-D76 PolarHBondContact OH-OD2 2.82Å; Y3-V77 PolarHBondContact N-O 3.04Å; Y3-A78 CarbonylContact O-C 3.58Å; Y3-A78 WeakPolarHBondContact O-CA 3.16Å; Y3-F79 PolarHBondContact O-N 2.81Å; Y3-R106 CarbonylContact C-O 3.57Å; Y3-R106 VanDerWaalsContact CA-O 3.31Å; Y3-R106 WeakPolarHBondContact CA-O 3.47Å; Y3-R106 HydrophobicContact CD1-CB 4.06Å; Y3-R106 HydrophobicContact CD1-CG 4.4Å; Y3-R106 HydrophobicContact CE1-CB 4.33Å; Y3-I108 HydrophobicContact CD1-CD1 4.18Å
4L98Very high95.1Very high0 Ų021.4 Ų21.40%012%0.118CC..EExtended strand (participates in β ladder)trans-96.7118.7167-73.983.4000108L2 F79 P85 F86 H91 V95 R106 V107 I108L2-L4 HydrophobicContact CD2-CD1 3.6Å; L2-L4 HydrophobicContact CG-CD1 3.84Å; L4-F79 WeakPolarHBondContact CA-O 2.99Å; L4-P85 HydrophobicContact CB-CB 4.15Å; L4-P85 HydrophobicContact CB-CG 4.24Å; L4-P85 HydrophobicContact CD2-CB 4.39Å; L4-F86 HydrophobicContact CD2-CE1 4.3Å; L4-F86 HydrophobicContact CD2-CZ 4.45Å; L4-H91 HydrophobicContact CD2-CB 4.34Å; L4-V95 HydrophobicContact CD1-CG2 3.88Å; L4-V95 HydrophobicContact CD2-CG2 3.56Å; L4-V95 HydrophobicContact CG-CG2 4.41Å; L4-R106 PolarHBondContact N-O 2.67Å; L4-V107 HydrophobicContact CB-CG2 4.43Å; L4-V107 CarbonylContact O-C 3.45Å; L4-V107 WeakPolarHBondContact O-CA 3.4Å; L4-I108 PolarHBondContact O-N 2.8Å
5I98.3Very high95.2Very high0 Ų020.6 Ų20.60%011%0.113CC..EExtended strand (participates in β ladder)trans-126.2118.7-169.3-49.8179.4000109.7I15 A22 V23 A78 F79 L80 V81 I108I5-I15 HydrophobicContact CG2-CD1 4.1Å; I5-I15 HydrophobicContact CG2-CG1 4.34Å; I5-A22 HydrophobicContact CD1-CB 3.81Å; I5-V23 HydrophobicContact CD1-CG2 3.71Å; I5-A78 HydrophobicContact CD1-CB 3.96Å; I5-F79 PolarHBondContact N-O 2.7Å; I5-L80 HydrophobicContact CB-CD2 3.85Å; I5-L80 HydrophobicContact CD1-CD2 4.04Å; I5-L80 HydrophobicContact CG1-CD2 4.32Å; I5-L80 HydrophobicContact CG2-CD2 4.4Å; I5-L80 WeakPolarHBondContact O-CA 3.28Å; I5-V81 PolarHBondContact O-N 3.38Å; I5-I108 HydrophobicContact CD1-CD1 4.36Å; I5-I108 HydrophobicContact CG1-CB 4.41Å; I5-I108 HydrophobicContact CG1-CD1 4.18Å; I5-I108 HydrophobicContact CG2-CB 4.27Å; I5-I108 HydrophobicContact CG2-CG2 4.34Å
6G97.4Very high95.4Very high0 Ų022 Ų220%012%0.123CC..EExtended strand (participates in β ladder)trans-73.8131.9170.800000111.8V81 G83 I108 N110G6-V81 CarbonylContact C-O 3.07Å; G6-V81 WeakPolarHBondContact CA-O 3.39Å; G6-G83 CarbonylContact C-O 3.41Å; G6-G83 VanDerWaalsContact C-O 3.31Å; G6-G83 WeakPolarHBondContact CA-O 3.43Å; G6-I108 PolarHBondContact N-O 3.42Å; G6-N110 WeakPolarHBondContact O-CB 3.4Å; G6-N110 PolarHBondContact O-ND2 3.05Å
7L96.3Very high95.6Very high0 Ų026.3 Ų26.30%015%0.149CC..  trans-89.3-12.3179.2-61.1-173.1000113.5D14 I15 L31 L38 Y49 L80 V81 G83 N110L7-D14 CarbonylContact O-C 3.54Å; L7-D14 VanDerWaalsContact O-C 3.32Å; L7-D14 VanDerWaalsContact O-CB 3.3Å; L7-D14 WeakPolarHBondContact O-CB 3.39Å; L7-I15 HydrophobicContact CD2-CB 4.48Å; L7-I15 HydrophobicContact CD2-CD1 3.74Å; L7-I15 HydrophobicContact CD2-CG1 4.13Å; L7-I15 PolarHBondContact O-N 3.17Å; L7-L31 HydrophobicContact CD1-CD1 3.7Å; L7-L38 HydrophobicContact CB-CD1 4.2Å; L7-L38 HydrophobicContact CD1-CD1 3.44Å; L7-L38 VanDerWaalsContact CD1-CD1 3.44Å; L7-L38 HydrophobicContact CG-CD1 4.47Å; L7-Y49 HydrophobicContact CD2-CE2 4.37Å; L7-L80 HydrophobicContact CD1-CB 3.88Å; L7-L80 HydrophobicContact CD1-CD1 4.4Å; L7-L80 HydrophobicContact CD2-CB 4.02Å; L7-L80 HydrophobicContact CD2-CD1 4.19Å; L7-L80 HydrophobicContact CD2-CD2 4.27Å; L7-L80 HydrophobicContact CD2-CG 4.38Å; L7-L80 HydrophobicContact CG-CB 4.04Å; L7-V81 PolarHBondContact N-O 3.46Å; L7-G83 PolarHBondContact N-O 2.98Å; L7-G83 VanDerWaalsContact N-O 3.17Å; L7-N110 VanDerWaalsContact C-ND2 3.29Å
8G94.9Very high95.8Very high0 Ų031.7 Ų31.70%017%0.171CC..BIsolated β-bridgetrans78.6-165-170.500000111.4G83 N110G8-G83 PolarHBondContact N-O 2.91Å; G8-G83 VanDerWaalsContact N-O 3.11Å; G8-G83 VanDerWaalsContact O-CA 3.29Å; G8-G83 WeakPolarHBondContact O-CA 3.48Å; G8-G83 PolarHBondContact O-N 3.2Å; G8-N110 PolarHBondContact N-ND2 2.97Å; G8-N110 VanDerWaalsContact N-ND2 3.18Å
9L92.6Very high95.9Very high34 Ų3430 Ų3018%0.17816%0.162CC..SBendtrans-112.8-27.5-160.2-60.1175.1000114.3D14 A111 A116 L226L9-D14 PolarHBondContact N-OD2 2.9Å; L9-D14 VanDerWaalsContact N-OD2 3.07Å; L9-A111 HydrophobicContact CD1-CB 4.37Å; L9-A111 HydrophobicContact CG-CB 4.37Å; L9-A116 HydrophobicContact CD1-CB 3.46Å; L9-A116 VanDerWaalsContact CD1-CB 3.46Å; L9-L226 VanDerWaalsContact CB-O 3.24Å; L9-L226 WeakPolarHBondContact CB-O 3.43Å
10G88.4Confident96Very high3 Ų330 Ų303%0.03116%0.161CC..SBendtrans-89.6-104.4-178.300000112.1D14 L38 T39G10-D14 WeakPolarHBondContact CA-OD2 3.26Å; G10-D14 PolarHBondContact N-OD2 2.94Å; G10-L38 VanDerWaalsContact O-CD2 3.31Å; G10-L38 WeakPolarHBondContact O-CD2 3.41Å; G10-T39 PolarHBondContact O-OG1 2.92Å
11D91.1Very high96.1Very high58 Ų5837.3 Ų37.331%0.3119%0.187SC..SBendtrans-113.9-168.3-169.67318.2000113.8T13 D14 V40D11-T13 PolarHBondContact O-N 3.23Å; D11-T13 VanDerWaalsContact O-N 3.12Å; D11-T13 WeakPolarHBondContact OD1-CA 3.48Å; D11-T13 VanDerWaalsContact OD1-CB 3.26Å; D11-T13 WeakPolarHBondContact OD1-CB 3.26Å; D11-T13 PolarHBondContact OD1-N 2.97Å; D11-T13 PolarHBondContact OD1-OG1 2.92Å; D11-D14 PolarHBondContact O-N 3.03Å; D11-V40 HydrophobicContact CB-CG1 3.75Å
12A93.2Very high96.3Very high9 Ų935.5 Ų35.57%0.07418%0.179CC..THydrogen-bonded Turntrans-62.1-17179.800000113.9I15 V40 L45 Y48 Y49A12-I15 WeakPolarHBondContact O-CG2 3.37Å; A12-V40 HydrophobicContact CB-CG2 4.47Å; A12-L45 HydrophobicContact CB-CD2 3.63Å; A12-Y48 HydrophobicContact CB-CD1 3.83Å; A12-Y48 HydrophobicContact CB-CG 4.02Å; A12-Y48 VanDerWaalsContact O-CD1 3.26Å; A12-Y48 WeakPolarHBondContact O-CD1 3.39Å; A12-Y48 WeakPolarHBondContact O-CE1 3.17Å; A12-Y49 WeakPolarHBondContact O-CE1 3.26Å; A12-Y49 PolarHBondContact O-OH 3.06Å
13T94.8Very high96.3Very high76 Ų7635.5 Ų35.547%0.46618%0.179SC..THydrogen-bonded Turntrans-92-15.5-175.576.30000113.5D11 I15 Y48D11-T13 PolarHBondContact O-N 3.23Å; D11-T13 VanDerWaalsContact O-N 3.12Å; D11-T13 WeakPolarHBondContact OD1-CA 3.48Å; D11-T13 VanDerWaalsContact OD1-CB 3.26Å; D11-T13 WeakPolarHBondContact OD1-CB 3.26Å; D11-T13 PolarHBondContact OD1-N 2.97Å; D11-T13 PolarHBondContact OD1-OG1 2.92Å; T13-I15 PolarHBondContact O-N 2.89Å; T13-Y48 HydrophobicContact CG2-CE1 4.3Å; T13-Y48 HydrophobicContact CG2-CE2 4.04Å
14D95.4Very high96.2Very high53 Ų5339.7 Ų39.728%0.28320%0.197SC..  trans-65.4-18.2175-8918.2000113.3L7 L9 G10 D11 T16 N110L7-D14 CarbonylContact O-C 3.54Å; L7-D14 VanDerWaalsContact O-C 3.32Å; L7-D14 VanDerWaalsContact O-CB 3.3Å; L7-D14 WeakPolarHBondContact O-CB 3.39Å; L9-D14 PolarHBondContact N-OD2 2.9Å; L9-D14 VanDerWaalsContact N-OD2 3.07Å; G10-D14 WeakPolarHBondContact CA-OD2 3.26Å; G10-D14 PolarHBondContact N-OD2 2.94Å; D11-D14 PolarHBondContact O-N 3.03Å; D14-T16 PolarHBondContact O-N 3.16Å; D14-N110 PolarHBondContact O-ND2 3.27Å; D14-N110 PolarHBondContact O-OD1 3.21Å
15I97.1Very high96.2Very high9 Ų943 Ų435%0.04622%0.22CC..SBendtrans-57.9132.8173.6-165.2174.5000109.8I5 L7 A12 T13 L20 V23 Y48 Y49I5-I15 HydrophobicContact CG2-CD1 4.1Å; I5-I15 HydrophobicContact CG2-CG1 4.34Å; L7-I15 HydrophobicContact CD2-CB 4.48Å; L7-I15 HydrophobicContact CD2-CD1 3.74Å; L7-I15 HydrophobicContact CD2-CG1 4.13Å; L7-I15 PolarHBondContact O-N 3.17Å; A12-I15 WeakPolarHBondContact O-CG2 3.37Å; T13-I15 PolarHBondContact O-N 2.89Å; I15-L20 HydrophobicContact CD1-CB 4.49Å; I15-L20 HydrophobicContact CG2-CB 4.05Å; I15-V23 HydrophobicContact CD1-CG2 3.99Å; I15-Y48 HydrophobicContact CG2-CE1 4.48Å; I15-Y49 HydrophobicContact CB-CE1 4.41Å; I15-Y49 HydrophobicContact CD1-CE1 4.17Å; I15-Y49 HydrophobicContact CG2-CE1 3.77Å
16T98.4Very high96.1Very high43 Ų4343 Ų4326%0.26422%0.22SC..  trans-61151.1175.869.70000111D14 K18 G19 L20D14-T16 PolarHBondContact O-N 3.16Å; T16-K18 PolarHBondContact O-N 2.74Å; T16-G19 WeakPolarHBondContact O-CA 3.19Å; T16-G19 PolarHBondContact O-N 3.41Å; T16-G19 PolarHBondContact OG1-N 2.62Å; T16-L20 PolarHBondContact O-N 3.43Å
17V98.4Very high96.1Very high95 Ų9546.9 Ų46.958%0.57625%0.248SC*.Hα-helixtrans-52.5-34.4172.81760000111.6R21V17-R21 VanDerWaalsContact O-CG 3.28Å; V17-R21 WeakPolarHBondContact O-CG 3.43Å; V17-R21 PolarHBondContact O-N 3.47Å
18K98.4Very high96.1Very high123 Ų12349.4 Ų49.454%0.53526%0.258SS..Hα-helixtrans-67-44.4175.6-170.3-172.3-65.5168.90111.5T16 A22 I108T16-K18 PolarHBondContact O-N 2.74Å; K18-A22 PolarHBondContact O-N 3.35Å; K18-A22 VanDerWaalsContact O-N 3.16Å; K18-I108 HydrophobicContact CB-CG2 4.32Å; K18-I108 HydrophobicContact CD-CD1 4.44Å; K18-I108 HydrophobicContact CD-CG1 4.23Å; K18-I108 HydrophobicContact CD-CG2 4.23Å; K18-I108 HydrophobicContact CG-CD1 4.1Å; K18-I108 HydrophobicContact CG-CG1 4.42Å; K18-I108 HydrophobicContact CG-CG2 4.35Å
19G98.3Very high96.3Very high0 Ų049.5 Ų49.50%026%0.258CS..Hα-helixtrans-60.7-51.5175.900000111.8T16 R21 A22 V23T16-G19 WeakPolarHBondContact O-CA 3.19Å; T16-G19 PolarHBondContact O-N 3.41Å; T16-G19 PolarHBondContact OG1-N 2.62Å; G19-R21 VanDerWaalsContact C-N 3.3Å; G19-R21 PolarHBondContact O-N 3.11Å; G19-A22 WeakPolarHBondContact O-CB 3.41Å; G19-A22 PolarHBondContact O-N 3.19Å; G19-V23 WeakPolarHBondContact O-CG2 3.35Å; G19-V23 PolarHBondContact O-N 3.12Å
20L98.3Very high96.5Very high30 Ų3048.8 Ų48.816%0.15725%0.253CS..Hα-helixtrans-58-41-179.9-176.659.1000112.7I15 T16 V23 K24 Y48 Y49I15-L20 HydrophobicContact CD1-CB 4.49Å; I15-L20 HydrophobicContact CG2-CB 4.05Å; T16-L20 PolarHBondContact O-N 3.43Å; L20-V23 PolarHBondContact O-N 3.12Å; L20-K24 HydrophobicContact CD1-CD 4.48Å; L20-K24 HydrophobicContact CG-CD 4.49Å; L20-K24 WeakPolarHBondContact O-CG 3.24Å; L20-K24 PolarHBondContact O-N 3.45Å; L20-K24 VanDerWaalsContact O-N 3.11Å; L20-Y48 HydrophobicContact CD2-CE1 4.27Å; L20-Y49 HydrophobicContact CD1-CD1 3.47Å; L20-Y49 VanDerWaalsContact CD1-CD1 3.47Å; L20-Y49 HydrophobicContact CD1-CE1 4.1Å; L20-Y49 HydrophobicContact CD1-CG 4.29Å
21R98.2Very high96.8Very high183 Ų18349.2 Ų49.269%0.69126%0.255SS*.Hα-helixtrans-63.2-42.7175.6-73.6174.4-174.5169.93111.9V17 G19 K24 S25V17-R21 VanDerWaalsContact O-CG 3.28Å; V17-R21 WeakPolarHBondContact O-CG 3.43Å; V17-R21 PolarHBondContact O-N 3.47Å; G19-R21 VanDerWaalsContact C-N 3.3Å; G19-R21 PolarHBondContact O-N 3.11Å; R21-K24 PolarHBondContact O-N 3.29Å; R21-S25 PolarHBondContact O-N 3.08Å
22A98.1Very high96.7Very high7 Ų746.6 Ų46.66%0.05824%0.24CC..Hα-helixtrans-66.3-41.9177.800000112Y3 I5 K18 G19 K24 S25 C26 I108Y3-A22 HydrophobicContact CD1-CB 3.83Å; Y3-A22 HydrophobicContact CE1-CB 3.94Å; Y3-A22 HydrophobicContact CG-CB 4.45Å; I5-A22 HydrophobicContact CD1-CB 3.81Å; K18-A22 PolarHBondContact O-N 3.35Å; K18-A22 VanDerWaalsContact O-N 3.16Å; G19-A22 WeakPolarHBondContact O-CB 3.41Å; G19-A22 PolarHBondContact O-N 3.19Å; A22-K24 VanDerWaalsContact C-N 3.31Å; A22-K24 PolarHBondContact O-N 2.83Å; A22-S25 PolarHBondContact O-N 3.46Å; A22-S25 PolarHBondContact O-OG 2.96Å; A22-C26 PolarHBondContact O-N 3.43Å; A22-C26 VanDerWaalsContact O-N 3.08Å; A22-C26 PolarHBondContact O-SG 3.38Å; A22-I108 HydrophobicContact CB-CD1 3.59Å
23V98Very high96Very high0 Ų047.6 Ų47.60%025%0.249CC..Hα-helixtrans-56.3-46.9174.4173.40000111I5 I15 G19 L20 S25 C26 V29 Y49 K51 L80I5-V23 HydrophobicContact CD1-CG2 3.71Å; I15-V23 HydrophobicContact CD1-CG2 3.99Å; G19-V23 WeakPolarHBondContact O-CG2 3.35Å; G19-V23 PolarHBondContact O-N 3.12Å; L20-V23 PolarHBondContact O-N 3.12Å; V23-S25 VanDerWaalsContact C-N 3.29Å; V23-S25 PolarHBondContact O-N 3.25Å; V23-C26 PolarHBondContact O-N 3.17Å; V23-V29 HydrophobicContact CG1-CG1 4.12Å; V23-V29 HydrophobicContact CG1-CG2 4.17Å; V23-Y49 HydrophobicContact CG1-CD2 4.29Å; V23-Y49 HydrophobicContact CG1-CG 4.25Å; V23-K51 HydrophobicContact CG1-CB 4.44Å; V23-K51 HydrophobicContact CG1-CG 4.3Å; V23-L80 HydrophobicContact CG2-CD2 3.62Å
24K97.5Very high95Very high110 Ų11044.6 Ų44.648%0.47823%0.229SC..Hα-helixtrans-65.4-29.9-179.5-73.2-179.1176.5-177.60113.2L20 R21 A22 Y49 K51L20-K24 HydrophobicContact CD1-CD 4.48Å; L20-K24 HydrophobicContact CG-CD 4.49Å; L20-K24 WeakPolarHBondContact O-CG 3.24Å; L20-K24 PolarHBondContact O-N 3.45Å; L20-K24 VanDerWaalsContact O-N 3.11Å; R21-K24 PolarHBondContact O-N 3.29Å; A22-K24 VanDerWaalsContact C-N 3.31Å; A22-K24 PolarHBondContact O-N 2.83Å; K24-Y49 WeakPolarHBondContact CE-O 3.02Å; K24-Y49 WeakPolarHBondContact CG-O 3.36Å; K24-K51 WeakPolarHBondContact O-CE 3.36Å; K24-K51 PolarHBondContact O-NZ 2.79Å; K24-K51 VanDerWaalsContact O-NZ 3.17Å
25S96.5Very high93.5Very high69 Ų6943.8 Ų43.848%0.48323%0.226SC..Hα-helixtrans-82.7-21.9177.366.20000114.2R21 A22 V23R21-S25 PolarHBondContact O-N 3.08Å; A22-S25 PolarHBondContact O-N 3.46Å; A22-S25 PolarHBondContact O-OG 2.96Å; V23-S25 VanDerWaalsContact C-N 3.29Å; V23-S25 PolarHBondContact O-N 3.25Å
26C97.6Very high92.3Very high0 Ų044.4 Ų44.40%023%0.232CC..  trans-71.9146.6-177.7-70.10000112.6A22 V23 V29 K51 D76 A78A22-C26 PolarHBondContact O-N 3.43Å; A22-C26 VanDerWaalsContact O-N 3.08Å; A22-C26 PolarHBondContact O-SG 3.38Å; V23-C26 PolarHBondContact O-N 3.17Å; C26-V29 HydrophobicContact CB-CG2 4.25Å; C26-K51 PolarHBondContact O-NZ 3.47Å; C26-D76 HydrophobicContact CB-CB 4.47Å; C26-A78 HydrophobicContact CB-CB 4Å
27S96.8Very high91.3Very high83 Ų8344.8 Ų44.858%0.5823%0.231SC*.SBendtrans-77.7-37.3176.8-60.80000111.7D76S27-D76 PolarHBondContact N-O 2.77Å
28R96.8Very high90.1Very high53 Ų5341.3 Ų41.320%0.221%0.209CC..EExtended strand (participates in β ladder)trans-128.6143.2175.8-74171.7-69.9156.60109.8Y30 I54 K70 T75 V77 A78R28-Y30 HydrophobicContact CB-CE2 4.07Å; R28-I54 HydrophobicContact CB-CD1 4.47Å; R28-I54 HydrophobicContact CG-CD1 4.42Å; R28-K70 PolarHBondContact NH1-O 3.32Å; R28-K70 PolarHBondContact NH2-O 2.77Å; R28-T75 PolarHBondContact NH2-OG1 3.4Å; R28-V77 HydrophobicContact CB-CG1 4.38Å; R28-V77 WeakPolarHBondContact O-CA 3.39Å; R28-A78 PolarHBondContact O-N 3.29Å
29V97.7Very high88.8Confident2 Ų239.3 Ų39.31%0.01221%0.208CC..EExtended strand (participates in β ladder)trans-133.6112.8-178.6-170.80000108V23 C26 K51 L53 I54 A78 L80V23-V29 HydrophobicContact CG1-CG1 4.12Å; V23-V29 HydrophobicContact CG1-CG2 4.17Å; C26-V29 HydrophobicContact CB-CG2 4.25Å; V29-K51 HydrophobicContact CG2-CB 4.34Å; V29-K51 HydrophobicContact CG2-CG 4.45Å; V29-L53 HydrophobicContact CB-CD2 3.84Å; V29-L53 HydrophobicContact CG1-CD2 3.34Å; V29-L53 WeakPolarHBondContact O-CA 3.47Å; V29-I54 PolarHBondContact O-N 3.46Å; V29-A78 CarbonylContact C-O 3.47Å; V29-A78 WeakPolarHBondContact CA-O 3.38Å; V29-A78 HydrophobicContact CB-CB 4.46Å; V29-A78 HydrophobicContact CG1-CB 4.02Å; V29-A78 HydrophobicContact CG2-CB 4.32Å; V29-L80 HydrophobicContact CG1-CD1 3.53Å; V29-L80 HydrophobicContact CG1-CD2 4.04Å; V29-L80 HydrophobicContact CG1-CG 3.71Å
30Y96.9Very high87.9Confident19 Ų1942 Ų428%0.07522%0.224CC..EExtended strand (participates in β ladder)trans-96.2135175.9-67.9-94.9000109.4R28 I54 A56 L60 E67 I68 V77 A78 L80R28-Y30 HydrophobicContact CB-CE2 4.07Å; Y30-I54 CarbonylContact C-O 3.54Å; Y30-I54 VanDerWaalsContact CA-O 3.22Å; Y30-I54 WeakPolarHBondContact CA-O 3.37Å; Y30-I54 HydrophobicContact CD1-CB 3.8Å; Y30-I54 HydrophobicContact CD1-CG2 3.7Å; Y30-I54 HydrophobicContact CE1-CB 4.03Å; Y30-I54 HydrophobicContact CE1-CD1 4.13Å; Y30-I54 HydrophobicContact CE1-CG2 3.62Å; Y30-I54 HydrophobicContact CE2-CD1 4.39Å; Y30-I54 HydrophobicContact CG-CB 4.35Å; Y30-A56 HydrophobicContact CD1-CB 4.47Å; Y30-L60 HydrophobicContact CD1-CD2 4.48Å; Y30-L60 HydrophobicContact CE1-CD2 4.43Å; Y30-E67 PolarHBondContact OH-O 3.17Å; Y30-I68 HydrophobicContact CD1-CG1 4.06Å; Y30-I68 HydrophobicContact CD2-CG2 3.99Å; Y30-I68 HydrophobicContact CE1-CG1 4.09Å; Y30-I68 HydrophobicContact CE2-CG2 4.25Å; Y30-I68 HydrophobicContact CG-CG1 4.35Å; Y30-I68 HydrophobicContact CG-CG2 4.28Å; Y30-V77 HydrophobicContact CD2-CG1 3.79Å; Y30-V77 HydrophobicContact CE2-CG1 3.78Å; Y30-A78 PolarHBondContact N-O 2.82Å; Y30-L80 WeakPolarHBondContact O-CB 3.47Å; Y30-L80 WeakPolarHBondContact O-CG 3.34Å; Y30-L80 PolarHBondContact O-N 2.76Å
31L94.6Very high87.2Confident12 Ų1242.1 Ų42.16%0.06323%0.232CC..EExtended strand (participates in β ladder)trans-110.6116.6173.2174.664.6000108.8L7 K42 L45 L53 I54 L55 A56 L80L7-L31 HydrophobicContact CD1-CD1 3.7Å; L31-K42 HydrophobicContact CD2-CG 4.35Å; L31-L45 HydrophobicContact CD1-CD1 4.41Å; L31-L45 HydrophobicContact CD2-CD1 3.78Å; L31-L53 HydrophobicContact CB-CB 4.21Å; L31-L53 HydrophobicContact CB-CD1 4.36Å; L31-L53 HydrophobicContact CD2-CD1 4.01Å; L31-I54 PolarHBondContact N-O 2.88Å; L31-L55 HydrophobicContact CB-CD2 4.33Å; L31-L55 HydrophobicContact CD2-CD2 3.97Å; L31-L55 HydrophobicContact CG-CD2 4.33Å; L31-L55 WeakPolarHBondContact O-CA 3.28Å; L31-A56 PolarHBondContact O-N 2.79Å; L31-L80 HydrophobicContact CD1-CB 4Å
32E88.8Confident86.8Confident2 Ų235.9 Ų35.91%0.00921%0.21CC..EExtended strand (participates in β ladder)trans-71133.7173.3-175.6-86.7124.400110.4Y34 T35 F79 L80 H91E32-Y34 HydrophobicContact CG-CD1 3.91Å; E32-Y34 HydrophobicContact CG-CE1 3.65Å; E32-Y34 VanDerWaalsContact OE1-CD1 3.26Å; E32-Y34 WeakPolarHBondContact OE1-CD1 3.4Å; E32-Y34 PolarHBondContact OE1-N 3.32Å; E32-T35 HydrophobicContact CG-CG2 4.45Å; E32-T35 WeakPolarHBondContact OE1-CB 3.3Å; E32-T35 VanDerWaalsContact OE1-CG2 3.24Å; E32-T35 WeakPolarHBondContact OE1-CG2 3.43Å; E32-T35 PolarHBondContact OE1-N 2.94Å; E32-T35 PolarHBondContact OE1-OG1 3.18Å; E32-T35 PolarHBondContact OE2-OG1 3.01Å; E32-F79 HydrophobicContact CB-CE1 4.2Å; E32-F79 HydrophobicContact CB-CE2 4.16Å; E32-F79 HydrophobicContact CB-CZ 3.66Å; E32-F79 HydrophobicContact CG-CE1 4.46Å; E32-F79 HydrophobicContact CG-CZ 3.87Å; E32-L80 VanDerWaalsContact CB-O 3.28Å; E32-L80 WeakPolarHBondContact CB-O 3.22Å; E32-L80 PolarHBondContact N-O 2.82Å; E32-H91 IonicContact OE2-NE2 2.94Å
33A79.4Confident86.5Confident31 Ų3141.7 Ų41.726%0.25624%0.236SC..  trans-133.427.1-167.700000114.5L55 A56 M167A33-L55 HydrophobicContact CB-CD2 4.29Å; A33-A56 PolarHBondContact N-O 2.63Å; A33-A56 VanDerWaalsContact N-O 3.11Å; A33-M167 WeakPolarHBondContact O-CE 3.41Å
34Y73.9Confident86.2Confident13 Ų1343.4 Ų43.45%0.05125%0.25CC..SBendtrans-136-18.3-176.173.3-89000115.9E32 R58 V61E32-Y34 HydrophobicContact CG-CD1 3.91Å; E32-Y34 HydrophobicContact CG-CE1 3.65Å; E32-Y34 VanDerWaalsContact OE1-CD1 3.26Å; E32-Y34 WeakPolarHBondContact OE1-CD1 3.4Å; E32-Y34 PolarHBondContact OE1-N 3.32Å; Y34-R58 HydrophobicContact CD1-CB 4.14Å; Y34-R58 HydrophobicContact CD2-CB 3.82Å; Y34-R58 HydrophobicContact CD2-CG 4.06Å; Y34-R58 HydrophobicContact CE1-CB 4.35Å; Y34-R58 HydrophobicContact CE2-CB 4.02Å; Y34-R58 HydrophobicContact CE2-CG 3.86Å; Y34-R58 HydrophobicContact CG-CB 3.87Å; Y34-V61 HydrophobicContact CE1-CB 3.83Å; Y34-V61 HydrophobicContact CE1-CG1 4.25Å; Y34-V61 HydrophobicContact CE1-CG2 3.82Å; Y34-V61 WeakPolarHBondContact OH-CG1 3.3Å
35T62.8Low86.1Confident35 Ų3538.2 Ų38.222%0.21523%0.227CC..SBendtrans-87.3-24.9179.173.60000112E32 T89E32-T35 HydrophobicContact CG-CG2 4.45Å; E32-T35 WeakPolarHBondContact OE1-CB 3.3Å; E32-T35 VanDerWaalsContact OE1-CG2 3.24Å; E32-T35 WeakPolarHBondContact OE1-CG2 3.43Å; E32-T35 PolarHBondContact OE1-N 2.94Å; E32-T35 PolarHBondContact OE1-OG1 3.18Å; E32-T35 PolarHBondContact OE2-OG1 3.01Å; T35-T89 HydrophobicContact CG2-CG2 4.39Å
36S72.2Confident86Confident23 Ų2336.6 Ų36.616%0.16121%0.212CC..  trans-166.7175.4179.4177.90000109.9V82 L250S36-V82 WeakPolarHBondContact OG-CG1 3.47Å; S36-L250 WeakPolarHBondContact OG-CD1 3.46Å
37I78Confident85.9Confident50 Ų5044.7 Ų44.726%0.25625%0.25SS..  trans-125.6139.4177.256.2163.9000110.5M167 F187 P249 L250I37-M167 HydrophobicContact CG2-CE 4.36Å; I37-M167 HydrophobicContact CG2-SD 4.38Å; I37-F187 HydrophobicContact CD1-CE1 3.89Å; I37-F187 HydrophobicContact CD1-CE2 4.21Å; I37-F187 HydrophobicContact CD1-CZ 3.72Å; I37-F187 HydrophobicContact CG1-CE1 4.06Å; I37-F187 HydrophobicContact CG1-CZ 4.28Å; I37-F187 HydrophobicContact CG2-CE1 3.8Å; I37-F187 HydrophobicContact CG2-CZ 3.75Å; I37-P249 HydrophobicContact CD1-CB 4.27Å; I37-P249 HydrophobicContact CD1-CG 3.99Å; I37-L250 HydrophobicContact CD1-CD2 4.43Å; I37-L250 HydrophobicContact CD1-CG 4.42Å; I37-L250 HydrophobicContact CG1-CD1 4.08Å; I37-L250 HydrophobicContact CG1-CD2 4Å; I37-L250 HydrophobicContact CG1-CG 3.79Å
38L72.8Confident85.9Confident22 Ų2245.7 Ų45.712%0.11524%0.242CC..  trans-88.1140.6164.2-80.3164000109.5L7 G10 V40 L45 V82L7-L38 HydrophobicContact CB-CD1 4.2Å; L7-L38 HydrophobicContact CD1-CD1 3.44Å; L7-L38 VanDerWaalsContact CD1-CD1 3.44Å; L7-L38 HydrophobicContact CG-CD1 4.47Å; G10-L38 VanDerWaalsContact O-CD2 3.31Å; G10-L38 WeakPolarHBondContact O-CD2 3.41Å; L38-V40 VanDerWaalsContact C-N 3.25Å; L38-V40 PolarHBondContact O-N 2.93Å; L38-L45 HydrophobicContact CD1-CD1 3.61Å; L38-L45 HydrophobicContact CD1-CD2 3.93Å; L38-L45 HydrophobicContact CD1-CG 4.36Å; L38-V82 HydrophobicContact CD1-CG2 4Å; L38-V82 HydrophobicContact CD2-CG1 4.1Å; L38-V82 HydrophobicContact CG-CB 4.48Å; L38-V82 HydrophobicContact CG-CG1 4.02Å; L38-V82 HydrophobicContact CG-CG2 3.74Å
39T71.4Confident85.9Confident82 Ų8243.2 Ų43.250%0.50323%0.233SC..THydrogen-bonded Turntrans-66.2-26.2-175.152.40000113.3G10G10-T39 PolarHBondContact O-OG1 2.92Å
40V79.3Confident85.9Confident56 Ų5646 Ų4634%0.33926%0.262SS..THydrogen-bonded Turntrans-93.5-8.8-172.3-61.80000115.1D11 A12 L38 A44 L45D11-V40 HydrophobicContact CB-CG1 3.75Å; A12-V40 HydrophobicContact CB-CG2 4.47Å; L38-V40 VanDerWaalsContact C-N 3.25Å; L38-V40 PolarHBondContact O-N 2.93Å; V40-A44 HydrophobicContact CB-CB 3.8Å; V40-A44 HydrophobicContact CG2-CB 3.98Å; V40-A44 WeakPolarHBondContact O-CB 3.29Å; V40-L45 HydrophobicContact CG2-CD2 4.35Å; V40-L45 HydrophobicContact CG2-CG 4.38Å
41G84.7Confident85.8Confident32 Ų3248.2 Ų48.233%0.3327%0.272SS..Hα-helixtrans75178-177.900000114.7L45G41-L45 WeakPolarHBondContact O-CG 3.27Å
42K89.7Confident85.9Confident52 Ų5255.6 Ų55.623%0.22631%0.306CS..Hα-helixtrans-70.7-41.6-173.1-175.5-157.4178.5-134.20111.9L31 A44 L45 E46 L53 L55L31-K42 HydrophobicContact CD2-CG 4.35Å; K42-A44 PolarHBondContact O-N 2.69Å; K42-L45 WeakPolarHBondContact O-CB 3.45Å; K42-L45 PolarHBondContact O-N 2.81Å; K42-E46 VanDerWaalsContact CE-OE1 3.24Å; K42-E46 WeakPolarHBondContact CE-OE1 3.43Å; K42-E46 HydrophobicContact CG-CG 4.46Å; K42-E46 VanDerWaalsContact NZ-CD 3.33Å; K42-E46 IonicContact NZ-OE1 2.75Å; K42-E46 PolarHBondContact NZ-OE1 3.23Å; K42-E46 IonicContact NZ-OE2 3.84Å; K42-E46 PolarHBondContact NZ-OE2 3.34Å; K42-E46 PolarHBondContact O-N 2.73Å; K42-L53 WeakPolarHBondContact CE-O 2.84Å; K42-L53 HydrophobicContact CG-CB 4.33Å; K42-L53 PolarHBondContact NZ-O 3.28Å; K42-L55 HydrophobicContact CD-CD1 4.29Å; K42-L55 HydrophobicContact CD-CD2 4.05Å; K42-L55 HydrophobicContact CD-CG 4.07Å; K42-L55 HydrophobicContact CG-CD2 4.16Å
43E91.4Very high86.2Confident130 Ų13055.8 Ų55.861%0.60731%0.308SS*.Hα-helixtrans-64.8-41.9-172.1-66.269.9-15600111.2L45 E46 E47E43-L45 VanDerWaalsContact C-N 3.31Å; E43-L45 PolarHBondContact O-N 3.08Å; E43-E46 PolarHBondContact O-N 3.07Å; E43-E47 PolarHBondContact O-N 2.9Å
44A91.9Very high87Confident35 Ų3557.8 Ų57.829%0.28931%0.313SS..Hα-helixtrans-63.5-36.6175.700000112.3V40 K42 Y48V40-A44 HydrophobicContact CB-CB 3.8Å; V40-A44 HydrophobicContact CG2-CB 3.98Å; V40-A44 WeakPolarHBondContact O-CB 3.29Å; K42-A44 PolarHBondContact O-N 2.69Å; A44-Y48 WeakPolarHBondContact O-CB 3.31Å; A44-Y48 PolarHBondContact O-N 2.75Å
45L93.9Very high87.9Confident1 Ų161.6 Ų61.61%0.00533%0.334CS..Hα-helixtrans-67.4-43.9174.5-61.9166.3000111.2A12 L31 L38 V40 G41 K42 E43 E47 Y48 Y49 L53A12-L45 HydrophobicContact CB-CD2 3.63Å; L31-L45 HydrophobicContact CD1-CD1 4.41Å; L31-L45 HydrophobicContact CD2-CD1 3.78Å; L38-L45 HydrophobicContact CD1-CD1 3.61Å; L38-L45 HydrophobicContact CD1-CD2 3.93Å; L38-L45 HydrophobicContact CD1-CG 4.36Å; V40-L45 HydrophobicContact CG2-CD2 4.35Å; V40-L45 HydrophobicContact CG2-CG 4.38Å; G41-L45 WeakPolarHBondContact O-CG 3.27Å; K42-L45 WeakPolarHBondContact O-CB 3.45Å; K42-L45 PolarHBondContact O-N 2.81Å; E43-L45 VanDerWaalsContact C-N 3.31Å; E43-L45 PolarHBondContact O-N 3.08Å; L45-E47 VanDerWaalsContact C-N 3.33Å; L45-E47 PolarHBondContact O-N 3.25Å; L45-Y48 PolarHBondContact O-N 3.28Å; L45-Y49 HydrophobicContact CB-CD2 4.05Å; L45-Y49 HydrophobicContact CB-CE2 3.78Å; L45-Y49 HydrophobicContact CD2-CE2 3.71Å; L45-Y49 VanDerWaalsContact CD2-OH 3.29Å; L45-Y49 WeakPolarHBondContact CD2-OH 3.39Å; L45-Y49 HydrophobicContact CG-CE2 4.27Å; L45-Y49 WeakPolarHBondContact O-CB 3.47Å; L45-Y49 VanDerWaalsContact O-CD2 3.26Å; L45-Y49 WeakPolarHBondContact O-CD2 3.4Å; L45-Y49 PolarHBondContact O-N 2.85Å; L45-L53 HydrophobicContact CB-CD1 3.55Å; L45-L53 HydrophobicContact CD1-CD1 4.18Å
46E95.8Very high89.2Confident36 Ų3659.9 Ų59.917%0.16832%0.323CS..Hα-helixtrans-59.5-44.1177.1-74.2-175.8140.200111.6K42 E43 G50 K51 Q52 L53K42-E46 VanDerWaalsContact CE-OE1 3.24Å; K42-E46 WeakPolarHBondContact CE-OE1 3.43Å; K42-E46 HydrophobicContact CG-CG 4.46Å; K42-E46 VanDerWaalsContact NZ-CD 3.33Å; K42-E46 IonicContact NZ-OE1 2.75Å; K42-E46 PolarHBondContact NZ-OE1 3.23Å; K42-E46 IonicContact NZ-OE2 3.84Å; K42-E46 PolarHBondContact NZ-OE2 3.34Å; K42-E46 PolarHBondContact O-N 2.73Å; E43-E46 PolarHBondContact O-N 3.07Å; E46-G50 WeakPolarHBondContact O-CA 3.39Å; E46-G50 PolarHBondContact O-N 3.39Å; E46-K51 WeakPolarHBondContact CA-O 3.46Å; E46-K51 WeakPolarHBondContact CG-O 3.48Å; E46-K51 PolarHBondContact O-N 3.3Å; E46-Q52 WeakPolarHBondContact OE1-CA 3.28Å; E46-L53 HydrophobicContact CG-CB 4.01Å; E46-L53 HydrophobicContact CG-CD1 4.07Å; E46-L53 HydrophobicContact CG-CG 3.67Å; E46-L53 PolarHBondContact OE1-N 3.36Å
47E96.3Very high89.9Confident169 Ų16960.9 Ų60.979%0.7933%0.327SS*.Hα-helixtrans-61.3-50.8176.6-176.6175-177.700111.6E43 L45E43-E47 PolarHBondContact O-N 2.9Å; L45-E47 VanDerWaalsContact C-N 3.33Å; L45-E47 PolarHBondContact O-N 3.25Å
48Y96.4Very high90.2Very high105 Ų10564.3 Ų64.341%0.41234%0.337SS..Hα-helixtrans-69.8-38.7-177.1-173.6-107.6000112.9A12 T13 I15 L20 A44 L45A12-Y48 HydrophobicContact CB-CD1 3.83Å; A12-Y48 HydrophobicContact CB-CG 4.02Å; A12-Y48 VanDerWaalsContact O-CD1 3.26Å; A12-Y48 WeakPolarHBondContact O-CD1 3.39Å; A12-Y48 WeakPolarHBondContact O-CE1 3.17Å; T13-Y48 HydrophobicContact CG2-CE1 4.3Å; T13-Y48 HydrophobicContact CG2-CE2 4.04Å; I15-Y48 HydrophobicContact CG2-CE1 4.48Å; L20-Y48 HydrophobicContact CD2-CE1 4.27Å; A44-Y48 WeakPolarHBondContact O-CB 3.31Å; A44-Y48 PolarHBondContact O-N 2.75Å; L45-Y48 PolarHBondContact O-N 3.28Å
49Y96.4Very high90.8Very high0 Ų067.4 Ų67.40%035%0.353CS..Hα-helixtrans-79.8-21.8-179.7-59.3-20.5000112.8L7 A12 I15 L20 V23 K24 L45 K51 L53 L80L7-Y49 HydrophobicContact CD2-CE2 4.37Å; A12-Y49 WeakPolarHBondContact O-CE1 3.26Å; A12-Y49 PolarHBondContact O-OH 3.06Å; I15-Y49 HydrophobicContact CB-CE1 4.41Å; I15-Y49 HydrophobicContact CD1-CE1 4.17Å; I15-Y49 HydrophobicContact CG2-CE1 3.77Å; L20-Y49 HydrophobicContact CD1-CD1 3.47Å; L20-Y49 VanDerWaalsContact CD1-CD1 3.47Å; L20-Y49 HydrophobicContact CD1-CE1 4.1Å; L20-Y49 HydrophobicContact CD1-CG 4.29Å; V23-Y49 HydrophobicContact CG1-CD2 4.29Å; V23-Y49 HydrophobicContact CG1-CG 4.25Å; K24-Y49 WeakPolarHBondContact CE-O 3.02Å; K24-Y49 WeakPolarHBondContact CG-O 3.36Å; L45-Y49 HydrophobicContact CB-CD2 4.05Å; L45-Y49 HydrophobicContact CB-CE2 3.78Å; L45-Y49 HydrophobicContact CD2-CE2 3.71Å; L45-Y49 VanDerWaalsContact CD2-OH 3.29Å; L45-Y49 WeakPolarHBondContact CD2-OH 3.39Å; L45-Y49 HydrophobicContact CG-CE2 4.27Å; L45-Y49 WeakPolarHBondContact O-CB 3.47Å; L45-Y49 VanDerWaalsContact O-CD2 3.26Å; L45-Y49 WeakPolarHBondContact O-CD2 3.4Å; L45-Y49 PolarHBondContact O-N 2.85Å; Y49-K51 VanDerWaalsContact C-N 3.27Å; Y49-L53 HydrophobicContact CD2-CD1 4.37Å; Y49-L53 HydrophobicContact CD2-CD2 4.39Å; Y49-L80 HydrophobicContact CD2-CD1 4.4Å; Y49-L80 HydrophobicContact CE2-CD1 4.1Å
50G96.7Very high91.5Very high62 Ų6264.7 Ų64.764%0.63934%0.336SS*.THydrogen-bonded Turntrans65.532.4-175.800000112.5E46E46-G50 WeakPolarHBondContact O-CA 3.39Å; E46-G50 PolarHBondContact O-N 3.39Å
51K96.1Very high91.9Very high65 Ų6562.4 Ų62.428%0.28332%0.322SS..SBendtrans-142.7142.8-177.9-75.5-72.5-176.8164.50109.2V23 K24 C26 V29 E46 Y49V23-K51 HydrophobicContact CG1-CB 4.44Å; V23-K51 HydrophobicContact CG1-CG 4.3Å; K24-K51 WeakPolarHBondContact O-CE 3.36Å; K24-K51 PolarHBondContact O-NZ 2.79Å; K24-K51 VanDerWaalsContact O-NZ 3.17Å; C26-K51 PolarHBondContact O-NZ 3.47Å; V29-K51 HydrophobicContact CG2-CB 4.34Å; V29-K51 HydrophobicContact CG2-CG 4.45Å; E46-K51 WeakPolarHBondContact CA-O 3.46Å; E46-K51 WeakPolarHBondContact CG-O 3.48Å; E46-K51 PolarHBondContact O-N 3.3Å; Y49-K51 VanDerWaalsContact C-N 3.27Å
52Q96.3Very high91.9Very high167 Ų16764.6 Ų64.678%0.7832%0.323SS*.  trans-72.4139.8167.2-68.9-153.1-27.200110.6E46E46-Q52 WeakPolarHBondContact OE1-CA 3.28Å
53L95.6Very high91.7Very high6 Ų669.2 Ų69.23%0.03135%0.346CS..  trans-106.8132.5178.6-57-178.5000109.6V29 L31 K42 L45 E46 Y49 L80V29-L53 HydrophobicContact CB-CD2 3.84Å; V29-L53 HydrophobicContact CG1-CD2 3.34Å; V29-L53 WeakPolarHBondContact O-CA 3.47Å; L31-L53 HydrophobicContact CB-CB 4.21Å; L31-L53 HydrophobicContact CB-CD1 4.36Å; L31-L53 HydrophobicContact CD2-CD1 4.01Å; K42-L53 WeakPolarHBondContact CE-O 2.84Å; K42-L53 HydrophobicContact CG-CB 4.33Å; K42-L53 PolarHBondContact NZ-O 3.28Å; L45-L53 HydrophobicContact CB-CD1 3.55Å; L45-L53 HydrophobicContact CD1-CD1 4.18Å; E46-L53 HydrophobicContact CG-CB 4.01Å; E46-L53 HydrophobicContact CG-CD1 4.07Å; E46-L53 HydrophobicContact CG-CG 3.67Å; E46-L53 PolarHBondContact OE1-N 3.36Å; Y49-L53 HydrophobicContact CD2-CD1 4.37Å; Y49-L53 HydrophobicContact CD2-CD2 4.39Å; L53-L80 HydrophobicContact CD2-CD1 3.78Å
54I95.2Very high91.5Very high72 Ų7264 Ų6437%0.36933%0.327SS..EExtended strand (participates in β ladder)trans-96.8115.2175.3-56.3167.9000107.1R28 V29 Y30 L31 A56R28-I54 HydrophobicContact CB-CD1 4.47Å; R28-I54 HydrophobicContact CG-CD1 4.42Å; V29-I54 PolarHBondContact O-N 3.46Å; Y30-I54 CarbonylContact C-O 3.54Å; Y30-I54 VanDerWaalsContact CA-O 3.22Å; Y30-I54 WeakPolarHBondContact CA-O 3.37Å; Y30-I54 HydrophobicContact CD1-CB 3.8Å; Y30-I54 HydrophobicContact CD1-CG2 3.7Å; Y30-I54 HydrophobicContact CE1-CB 4.03Å; Y30-I54 HydrophobicContact CE1-CD1 4.13Å; Y30-I54 HydrophobicContact CE1-CG2 3.62Å; Y30-I54 HydrophobicContact CE2-CD1 4.39Å; Y30-I54 HydrophobicContact CG-CB 4.35Å; L31-I54 PolarHBondContact N-O 2.88Å; I54-A56 PolarHBondContact O-N 2.83Å
55L92Very high91.4Very high93 Ų9362.4 Ų62.449%0.48731%0.313SS..EExtended strand (participates in β ladder)trans-67.7129.6179.1-67.2179.1000110.4L31 A33 K42L31-L55 HydrophobicContact CB-CD2 4.33Å; L31-L55 HydrophobicContact CD2-CD2 3.97Å; L31-L55 HydrophobicContact CG-CD2 4.33Å; L31-L55 WeakPolarHBondContact O-CA 3.28Å; A33-L55 HydrophobicContact CB-CD2 4.29Å; K42-L55 HydrophobicContact CD-CD1 4.29Å; K42-L55 HydrophobicContact CD-CD2 4.05Å; K42-L55 HydrophobicContact CD-CG 4.07Å; K42-L55 HydrophobicContact CG-CD2 4.16Å
56A90.6Very high91.3Very high0 Ų068 Ų680%034%0.344CS..EExtended strand (participates in β ladder)trans-114111.9174.500000109.4Y30 L31 A33 I54 L60 V61 I68 F79Y30-A56 HydrophobicContact CD1-CB 4.47Å; L31-A56 PolarHBondContact O-N 2.79Å; A33-A56 PolarHBondContact N-O 2.63Å; A33-A56 VanDerWaalsContact N-O 3.11Å; I54-A56 PolarHBondContact O-N 2.83Å; A56-L60 HydrophobicContact CB-CD2 3.91Å; A56-V61 HydrophobicContact CB-CG2 3.73Å; A56-I68 HydrophobicContact CB-CD1 4.42Å; A56-F79 HydrophobicContact CB-CE2 4.23Å
57D86.6Confident91.2Very high44 Ų4472.3 Ų72.324%0.23536%0.364CS..  trans-89.1177.2172.759.421.8000111.7D59 L60 V61 K168D57-D59 VanDerWaalsContact C-N 3.29Å; D57-D59 PolarHBondContact O-N 2.86Å; D57-L60 PolarHBondContact O-N 3.3Å; D57-L60 VanDerWaalsContact O-N 3.17Å; D57-L60 PolarHBondContact OD1-N 3.29Å; D57-L60 VanDerWaalsContact OD1-N 3.15Å; D57-V61 WeakPolarHBondContact O-CG2 3.05Å; D57-V61 PolarHBondContact O-N 2.89Å; D57-K168 HydrophobicContact CB-CD 4.29Å; D57-K168 IonicContact OD2-NZ 3.81Å; D57-K168 PolarHBondContact OD2-NZ 2.95Å
58R84.9Confident91.1Very high121 Ų12164.2 Ų64.246%0.45733%0.326SS..Hα-helixtrans-55.8-43.7-175.4-172.6177.8-68.8176.6-1.4112.2Y34 L60 V61 E62Y34-R58 HydrophobicContact CD1-CB 4.14Å; Y34-R58 HydrophobicContact CD2-CB 3.82Å; Y34-R58 HydrophobicContact CD2-CG 4.06Å; Y34-R58 HydrophobicContact CE1-CB 4.35Å; Y34-R58 HydrophobicContact CE2-CB 4.02Å; Y34-R58 HydrophobicContact CE2-CG 3.86Å; Y34-R58 HydrophobicContact CG-CB 3.87Å; R58-L60 PolarHBondContact O-N 3.04Å; R58-V61 PolarHBondContact O-N 2.8Å; R58-E62 HydrophobicContact CG-CG 4.01Å; R58-E62 WeakPolarHBondContact CG-OE1 3.48Å; R58-E62 WeakPolarHBondContact O-CB 3.46Å; R58-E62 WeakPolarHBondContact O-CG 3.31Å; R58-E62 PolarHBondContact O-N 2.88Å
59D85.4Confident91Very high87 Ų8759.7 Ų59.747%0.46531%0.309SS..Hα-helixtrans-62.9-44.3-179.7-68.7-17.4000110.8D57 V61 Q63 G64D57-D59 VanDerWaalsContact C-N 3.29Å; D57-D59 PolarHBondContact O-N 2.86Å; D59-V61 PolarHBondContact O-N 2.76Å; D59-Q63 WeakPolarHBondContact O-CA 3.17Å; D59-Q63 WeakPolarHBondContact O-CB 3.45Å; D59-Q63 PolarHBondContact O-N 3.28Å; D59-G64 PolarHBondContact O-N 3.04Å
60L87.3Confident90.9Very high26 Ų2665.8 Ų65.814%0.13634%0.335CS..Hα-helixtrans-63.7-40.6176.6-174.461.1000112.2Y30 A56 D57 R58 G64 A65 E67 I68Y30-L60 HydrophobicContact CD1-CD2 4.48Å; Y30-L60 HydrophobicContact CE1-CD2 4.43Å; A56-L60 HydrophobicContact CB-CD2 3.91Å; D57-L60 PolarHBondContact O-N 3.3Å; D57-L60 VanDerWaalsContact O-N 3.17Å; D57-L60 PolarHBondContact OD1-N 3.29Å; D57-L60 VanDerWaalsContact OD1-N 3.15Å; R58-L60 PolarHBondContact O-N 3.04Å; L60-G64 CarbonylContact O-C 3.31Å; L60-G64 WeakPolarHBondContact O-CA 3.21Å; L60-G64 PolarHBondContact O-N 2.93Å; L60-A65 PolarHBondContact O-N 2.78Å; L60-E67 HydrophobicContact CD1-CB 3.96Å; L60-E67 HydrophobicContact CD1-CG 4.29Å; L60-E67 WeakPolarHBondContact CD1-OE2 3.15Å; L60-I68 HydrophobicContact CD2-CG1 4.47Å; L60-I68 HydrophobicContact CG-CD1 4.29Å; L60-I68 HydrophobicContact CG-CG1 4.3Å
61V86.4Confident90.7Very high7 Ų766.7 Ų66.74%0.04233%0.325CS..Hα-helixtrans-77.2-41.1-176.41780000112.2Y34 A56 D57 R58 D59 I68 F79Y34-V61 HydrophobicContact CE1-CB 3.83Å; Y34-V61 HydrophobicContact CE1-CG1 4.25Å; Y34-V61 HydrophobicContact CE1-CG2 3.82Å; Y34-V61 WeakPolarHBondContact OH-CG1 3.3Å; A56-V61 HydrophobicContact CB-CG2 3.73Å; D57-V61 WeakPolarHBondContact O-CG2 3.05Å; D57-V61 PolarHBondContact O-N 2.89Å; R58-V61 PolarHBondContact O-N 2.8Å; D59-V61 PolarHBondContact O-N 2.76Å; V61-I68 HydrophobicContact CG2-CD1 4.04Å; V61-F79 HydrophobicContact CG1-CZ 3.98Å; V61-F79 HydrophobicContact CG2-CE2 3.76Å; V61-F79 HydrophobicContact CG2-CZ 3.77Å
62E84.3Confident90.6Very high78 Ų7863.6 Ų63.636%0.36431%0.312SS..Hα-helixtrans-89.2-34.9-174.1-64-176.3-174.500112.7R58 R97R58-E62 HydrophobicContact CG-CG 4.01Å; R58-E62 WeakPolarHBondContact CG-OE1 3.48Å; R58-E62 WeakPolarHBondContact O-CB 3.46Å; R58-E62 WeakPolarHBondContact O-CG 3.31Å; R58-E62 PolarHBondContact O-N 2.88Å; E62-R97 PolarHBondContact O-NH1 3.25Å; E62-R97 PolarHBondContact O-NH2 2.97Å
63Q85.7Confident90.4Very high150 Ų15060.5 Ų60.570%0.70130%0.301SS*.THydrogen-bonded Turntrans-109.6-40-177.5-56.8178.218.800111.9D59D59-Q63 WeakPolarHBondContact O-CA 3.17Å; D59-Q63 WeakPolarHBondContact O-CB 3.45Å; D59-Q63 PolarHBondContact O-N 3.28Å
64G88.1Confident90.3Very high21 Ų2165.2 Ų65.222%0.21633%0.33CS..  trans-93.518.6-176.600000115.7D59 L60 D66 E67D59-G64 PolarHBondContact O-N 3.04Å; L60-G64 CarbonylContact O-C 3.31Å; L60-G64 WeakPolarHBondContact O-CA 3.21Å; L60-G64 PolarHBondContact O-N 2.93Å; G64-D66 PolarHBondContact O-N 3.11Å; G64-E67 WeakPolarHBondContact O-CB 3.13Å; G64-E67 PolarHBondContact O-N 3.25Å
65A89.9Confident90.3Very high0 Ų063.9 Ų63.90%033%0.325CS..Hα-helixtrans-54.9-27.4-171.500000113.6L60 E67 I68 L69 L94L60-A65 PolarHBondContact O-N 2.78Å; A65-E67 PolarHBondContact O-N 2.74Å; A65-I68 WeakPolarHBondContact O-CB 3.46Å; A65-I68 PolarHBondContact O-N 2.83Å; A65-L69 WeakPolarHBondContact O-CG 3.46Å; A65-L69 PolarHBondContact O-N 2.97Å; A65-L94 HydrophobicContact CB-CD1 3.97Å
66D91.1Very high90.6Very high120 Ų12061.9 Ų61.964%0.64232%0.315SS*.Hα-helixtrans-58.2-30.6175.9-65.4-17.8000112.4G64 L69 K70G64-D66 PolarHBondContact O-N 3.11Å; D66-L69 PolarHBondContact O-N 2.79Å; D66-K70 WeakPolarHBondContact O-CA 3.12Å; D66-K70 WeakPolarHBondContact O-CB 3.22Å; D66-K70 PolarHBondContact O-N 2.76Å
67E93.2Very high91Very high125 Ų12561.9 Ų61.958%0.58432%0.315SS*.Hα-helixtrans-69.2-36.9175.4-63.5-162154.100112.3Y30 L60 G64 A65Y30-E67 PolarHBondContact OH-O 3.17Å; L60-E67 HydrophobicContact CD1-CB 3.96Å; L60-E67 HydrophobicContact CD1-CG 4.29Å; L60-E67 WeakPolarHBondContact CD1-OE2 3.15Å; G64-E67 WeakPolarHBondContact O-CB 3.13Å; G64-E67 PolarHBondContact O-N 3.25Å; A65-E67 PolarHBondContact O-N 2.74Å
68I93.9Very high91.5Very high0 Ų059.8 Ų59.80%030%0.303CS..Hα-helixtrans-69-42.6175.8-59.1173.4000109.4Y30 A56 L60 V61 A65 F79Y30-I68 HydrophobicContact CD1-CG1 4.06Å; Y30-I68 HydrophobicContact CD2-CG2 3.99Å; Y30-I68 HydrophobicContact CE1-CG1 4.09Å; Y30-I68 HydrophobicContact CE2-CG2 4.25Å; Y30-I68 HydrophobicContact CG-CG1 4.35Å; Y30-I68 HydrophobicContact CG-CG2 4.28Å; A56-I68 HydrophobicContact CB-CD1 4.42Å; L60-I68 HydrophobicContact CD2-CG1 4.47Å; L60-I68 HydrophobicContact CG-CD1 4.29Å; L60-I68 HydrophobicContact CG-CG1 4.3Å; V61-I68 HydrophobicContact CG2-CD1 4.04Å; A65-I68 WeakPolarHBondContact O-CB 3.46Å; A65-I68 PolarHBondContact O-N 2.83Å; I68-F79 HydrophobicContact CD1-CD2 4.15Å; I68-F79 HydrophobicContact CD1-CE2 3.89Å; I68-F79 HydrophobicContact CG2-CD2 4.17Å
69L94.9Very high92.1Very high10 Ų1054 Ų545%0.05228%0.282CS..Hα-helixtrans-79.7-17.8-177-64.6179.8000113.9L2 A65 D66 D71 A72 L94 R97 A98 I103L2-L69 HydrophobicContact CD1-CD2 4.34Å; L2-L69 HydrophobicContact CD2-CD2 3.71Å; L2-L69 HydrophobicContact CG-CD2 4.48Å; A65-L69 WeakPolarHBondContact O-CG 3.46Å; A65-L69 PolarHBondContact O-N 2.97Å; D66-L69 PolarHBondContact O-N 2.79Å; L69-D71 PolarHBondContact O-N 2.93Å; L69-A72 WeakPolarHBondContact O-CB 3.29Å; L69-A72 PolarHBondContact O-N 3.29Å; L69-L94 HydrophobicContact CD1-CD1 4.3Å; L69-L94 HydrophobicContact CD2-CD1 4.04Å; L69-L94 HydrophobicContact CG-CD1 4.08Å; L69-R97 HydrophobicContact CD1-CB 3.71Å; L69-A98 HydrophobicContact CD2-CB 3.92Å; L69-I103 HydrophobicContact CB-CD1 3.93Å; L69-I103 HydrophobicContact CD2-CD1 4.44Å
70K94.4Very high92.7Very high128 Ų12849.9 Ų49.956%0.55726%0.259SS*.THydrogen-bonded Turntrans-48.8130.2179.3-178.6179.8177179.70110.2R28 D66 A72R28-K70 PolarHBondContact NH1-O 3.32Å; R28-K70 PolarHBondContact NH2-O 2.77Å; D66-K70 WeakPolarHBondContact O-CA 3.12Å; D66-K70 WeakPolarHBondContact O-CB 3.22Å; D66-K70 PolarHBondContact O-N 2.76Å; K70-A72 PolarHBondContact O-N 2.91Å
71D93.1Very high93.1Very high80 Ų8048.6 Ų48.643%0.42825%0.253SS..THydrogen-bonded Turntrans57.913.8178.9-47.8-38.7000115L69 D73 V74 T75L69-D71 PolarHBondContact O-N 2.93Å; D71-D73 WeakPolarHBondContact CA-OD1 3.44Å; D71-D73 PolarHBondContact O-N 2.99Å; D71-V74 HydrophobicContact CB-CG2 3.75Å; D71-V74 VanDerWaalsContact O-CG2 3.27Å; D71-V74 WeakPolarHBondContact O-CG2 3.24Å; D71-V74 PolarHBondContact O-N 3.06Å; D71-T75 PolarHBondContact O-N 2.79Å; D71-T75 PolarHBondContact O-OG1 3.05Å
72A94.4Very high93.4Very high0 Ų048.9 Ų48.90%025%0.254CS..THydrogen-bonded Turntrans-77.2-6178.600000113M1 L69 K70 T75 V77 I103M1-A72 CarbonylContact C-O 3.49Å; M1-A72 WeakPolarHBondContact CA-O 3.28Å; M1-A72 PolarHBondContact N-O 3.17Å; L69-A72 WeakPolarHBondContact O-CB 3.29Å; L69-A72 PolarHBondContact O-N 3.29Å; K70-A72 PolarHBondContact O-N 2.91Å; A72-T75 CarbonylContact C-O 3.32Å; A72-T75 WeakPolarHBondContact CA-O 3.15Å; A72-V77 HydrophobicContact CB-CB 4.23Å; A72-V77 HydrophobicContact CB-CG2 3.8Å; A72-I103 HydrophobicContact CB-CD1 4.33Å; A72-I103 HydrophobicContact CB-CG2 3.86Å
73D90.7Very high93.8Very high102 Ų10245.3 Ų45.355%0.54524%0.239SC..THydrogen-bonded Turntrans-77.7-34.5167.362.6-39.4000112.1D71 I103D71-D73 WeakPolarHBondContact CA-OD1 3.44Å; D71-D73 PolarHBondContact O-N 2.99Å; D73-I103 HydrophobicContact CB-CG1 4.24Å
74V94.4Very high94.3Very high106 Ų10639.1 Ų39.164%0.64221%0.21SC*.THydrogen-bonded Turntrans-101.2-24.3-178.9-67.40000114.2D71D71-V74 HydrophobicContact CB-CG2 3.75Å; D71-V74 VanDerWaalsContact O-CG2 3.27Å; D71-V74 WeakPolarHBondContact O-CG2 3.24Å; D71-V74 PolarHBondContact O-N 3.06Å
75T95.9Very high94.6Very high44 Ų4438.1 Ų38.127%0.2720%0.2SC..SBendtrans-128.5158-179.661.80000112.1M1 R28 D71 A72M1-T75 PolarHBondContact N-O 2.85Å; R28-T75 PolarHBondContact NH2-OG1 3.4Å; D71-T75 PolarHBondContact O-N 2.79Å; D71-T75 PolarHBondContact O-OG1 3.05Å; A72-T75 CarbonylContact C-O 3.32Å; A72-T75 WeakPolarHBondContact CA-O 3.15Å
76D97.9Very high94.8Very high50 Ų5041.7 Ų41.727%0.26722%0.216SC..  trans-84.5125.1175.6-77.6-7.1000111M1 Y3 C26 S27M1-D76 WeakPolarHBondContact CB-OD1 3.41Å; M1-D76 PolarHBondContact N-OD1 3.03Å; M1-D76 WeakPolarHBondContact O-CA 3.1Å; Y3-D76 HydrophobicContact CE2-CB 3.94Å; Y3-D76 PolarHBondContact OH-OD2 2.82Å; C26-D76 HydrophobicContact CB-CB 4.47Å; S27-D76 PolarHBondContact N-O 2.77Å
77V98Very high94.6Very high0 Ų036.8 Ų36.80%019%0.194CC..EExtended strand (participates in β ladder)trans-122.9128.5-178.9-178.10000108.6M1 L2 Y3 R28 Y30 A72M1-V77 PolarHBondContact O-N 3.39Å; L2-V77 CarbonylContact C-O 3.57Å; L2-V77 WeakPolarHBondContact CA-O 3.44Å; L2-V77 HydrophobicContact CD1-CB 4.44Å; L2-V77 HydrophobicContact CD1-CG1 4.36Å; Y3-V77 PolarHBondContact N-O 3.04Å; R28-V77 HydrophobicContact CB-CG1 4.38Å; R28-V77 WeakPolarHBondContact O-CA 3.39Å; Y30-V77 HydrophobicContact CD2-CG1 3.79Å; Y30-V77 HydrophobicContact CE2-CG1 3.78Å; A72-V77 HydrophobicContact CB-CB 4.23Å; A72-V77 HydrophobicContact CB-CG2 3.8Å
78A98.1Very high94Very high0 Ų033.6 Ų33.60%019%0.189CC..EExtended strand (participates in β ladder)trans-101.7138.8173.500000110.9Y3 I5 C26 R28 V29 Y30 L80Y3-A78 CarbonylContact O-C 3.58Å; Y3-A78 WeakPolarHBondContact O-CA 3.16Å; I5-A78 HydrophobicContact CD1-CB 3.96Å; C26-A78 HydrophobicContact CB-CB 4Å; R28-A78 PolarHBondContact O-N 3.29Å; V29-A78 CarbonylContact C-O 3.47Å; V29-A78 WeakPolarHBondContact CA-O 3.38Å; V29-A78 HydrophobicContact CB-CB 4.46Å; V29-A78 HydrophobicContact CG1-CB 4.02Å; V29-A78 HydrophobicContact CG2-CB 4.32Å; Y30-A78 PolarHBondContact N-O 2.82Å; A78-L80 HydrophobicContact CB-CD2 4.19Å
79F97.7Very high93.5Very high0 Ų035.1 Ų35.10%020%0.198CC..EExtended strand (participates in β ladder)trans-120.4110.4170.4-175-101.6000107.8L2 Y3 L4 I5 E32 A56 V61 I68 V81 H91 L94L2-F79 HydrophobicContact CD1-CB 4.37Å; Y3-F79 PolarHBondContact O-N 2.81Å; L4-F79 WeakPolarHBondContact CA-O 2.99Å; I5-F79 PolarHBondContact N-O 2.7Å; E32-F79 HydrophobicContact CB-CE1 4.2Å; E32-F79 HydrophobicContact CB-CE2 4.16Å; E32-F79 HydrophobicContact CB-CZ 3.66Å; E32-F79 HydrophobicContact CG-CE1 4.46Å; E32-F79 HydrophobicContact CG-CZ 3.87Å; A56-F79 HydrophobicContact CB-CE2 4.23Å; V61-F79 HydrophobicContact CG1-CZ 3.98Å; V61-F79 HydrophobicContact CG2-CE2 3.76Å; V61-F79 HydrophobicContact CG2-CZ 3.77Å; I68-F79 HydrophobicContact CD1-CD2 4.15Å; I68-F79 HydrophobicContact CD1-CE2 3.89Å; I68-F79 HydrophobicContact CG2-CD2 4.17Å; F79-V81 HydrophobicContact CD1-CG2 3.71Å; F79-V81 HydrophobicContact CE1-CG2 3.56Å; F79-H91 AromaticContact CE1-CE1 3.81Å; F79-H91 AromaticContact CE1-CG 3.93Å; F79-H91 AromaticContact CE1-ND1 3.68Å; F79-H91 AromaticContact CZ-CE1 3.94Å; F79-L94 HydrophobicContact CB-CD2 4.33Å; F79-L94 HydrophobicContact CD1-CD2 3.71Å; F79-L94 HydrophobicContact CD2-CD2 4.04Å; F79-L94 HydrophobicContact CE1-CD2 3.95Å; F79-L94 HydrophobicContact CE2-CD2 4.29Å; F79-L94 HydrophobicContact CG-CD2 3.75Å; F79-L94 HydrophobicContact CZ-CD2 4.23Å
80L96.9Very high92.9Very high0 Ų038.8 Ų38.80%022%0.221CC..EExtended strand (participates in β ladder)trans-94.9131.9-174.5-47.8-175.9000110.2I5 L7 V23 V29 Y30 L31 E32 Y49 L53 A78I5-L80 HydrophobicContact CB-CD2 3.85Å; I5-L80 HydrophobicContact CD1-CD2 4.04Å; I5-L80 HydrophobicContact CG1-CD2 4.32Å; I5-L80 HydrophobicContact CG2-CD2 4.4Å; I5-L80 WeakPolarHBondContact O-CA 3.28Å; L7-L80 HydrophobicContact CD1-CB 3.88Å; L7-L80 HydrophobicContact CD1-CD1 4.4Å; L7-L80 HydrophobicContact CD2-CB 4.02Å; L7-L80 HydrophobicContact CD2-CD1 4.19Å; L7-L80 HydrophobicContact CD2-CD2 4.27Å; L7-L80 HydrophobicContact CD2-CG 4.38Å; L7-L80 HydrophobicContact CG-CB 4.04Å; V23-L80 HydrophobicContact CG2-CD2 3.62Å; V29-L80 HydrophobicContact CG1-CD1 3.53Å; V29-L80 HydrophobicContact CG1-CD2 4.04Å; V29-L80 HydrophobicContact CG1-CG 3.71Å; Y30-L80 WeakPolarHBondContact O-CB 3.47Å; Y30-L80 WeakPolarHBondContact O-CG 3.34Å; Y30-L80 PolarHBondContact O-N 2.76Å; L31-L80 HydrophobicContact CD1-CB 4Å; E32-L80 VanDerWaalsContact CB-O 3.28Å; E32-L80 WeakPolarHBondContact CB-O 3.22Å; E32-L80 PolarHBondContact N-O 2.82Å; Y49-L80 HydrophobicContact CD2-CD1 4.4Å; Y49-L80 HydrophobicContact CE2-CD1 4.1Å; L53-L80 HydrophobicContact CD2-CD1 3.78Å; A78-L80 HydrophobicContact CB-CD2 4.19Å
81V95.3Very high92.7Very high0 Ų032.8 Ų32.80%020%0.195CC..EExtended strand (participates in β ladder)trans-125.8132.8-178.2-176.60000108.7I5 G6 L7 F79 P85 T89I5-V81 PolarHBondContact O-N 3.38Å; G6-V81 CarbonylContact C-O 3.07Å; G6-V81 WeakPolarHBondContact CA-O 3.39Å; L7-V81 PolarHBondContact N-O 3.46Å; F79-V81 HydrophobicContact CD1-CG2 3.71Å; F79-V81 HydrophobicContact CE1-CG2 3.56Å; V81-P85 HydrophobicContact CG2-CB 4.46Å; V81-T89 HydrophobicContact CG1-CG2 4.1Å
82V92.9Very high92.6Very high12 Ų1231.9 Ų31.97%0.07320%0.195CC..SBendtrans-67.1134.4173.8-175.80000109.5S36 L38S36-V82 WeakPolarHBondContact OG-CG1 3.47Å; L38-V82 HydrophobicContact CD1-CG2 4Å; L38-V82 HydrophobicContact CD2-CG1 4.1Å; L38-V82 HydrophobicContact CG-CB 4.48Å; L38-V82 HydrophobicContact CG-CG1 4.02Å; L38-V82 HydrophobicContact CG-CG2 3.74Å
83G94.3Very high92.5Very high4 Ų435 Ų354%0.04121%0.212CC..BIsolated β-bridgetrans77.4-128.4-170.200000111.8G6 L7 G8 A111G6-G83 CarbonylContact C-O 3.41Å; G6-G83 VanDerWaalsContact C-O 3.31Å; G6-G83 WeakPolarHBondContact CA-O 3.43Å; L7-G83 PolarHBondContact N-O 2.98Å; L7-G83 VanDerWaalsContact N-O 3.17Å; G8-G83 PolarHBondContact N-O 2.91Å; G8-G83 VanDerWaalsContact N-O 3.11Å; G8-G83 VanDerWaalsContact O-CA 3.29Å; G8-G83 WeakPolarHBondContact O-CA 3.48Å; G8-G83 PolarHBondContact O-N 3.2Å; G83-A111 CarbonylContact C-O 3.6Å; G83-A111 WeakPolarHBondContact CA-O 3.04Å
84D95.9Very high92.6Very high19 Ų1930.3 Ų30.310%0.10219%0.187CC..  trans-111.3141.6177.7-179.1-93.4000110.1F86 G87 H109 N110 A111D84-F86 PolarHBondContact O-N 3.3Å; D84-F86 PolarHBondContact OD1-N 2.96Å; D84-G87 PolarHBondContact O-N 3.15Å; D84-G87 VanDerWaalsContact O-N 3.15Å; D84-G87 PolarHBondContact OD1-N 3.14Å; D84-H109 IonicContact OD1-ND1 3.5Å; D84-H109 WeakPolarHBondContact OD2-CA 3.44Å; D84-H109 VanDerWaalsContact OD2-CB 3.28Å; D84-H109 WeakPolarHBondContact OD2-CB 3.26Å; D84-H109 IonicContact OD2-CG 3.32Å; D84-H109 IonicContact OD2-ND1 3.36Å; D84-H109 PolarHBondContact OD2-ND1 2.98Å; D84-N110 PolarHBondContact OD2-N 3.46Å; D84-A111 PolarHBondContact N-O 3.24Å
85P94.6Very high92.6Very high0 Ų025.9 Ų25.90%016%0.16CC..THydrogen-bonded Turntrans-54.9-22.3-177.3-28.738.2000115.4L4 V81 T89 V107L4-P85 HydrophobicContact CB-CB 4.15Å; L4-P85 HydrophobicContact CB-CG 4.24Å; L4-P85 HydrophobicContact CD2-CB 4.39Å; V81-P85 HydrophobicContact CG2-CB 4.46Å; P85-T89 PolarHBondContact O-OG1 3.27Å; P85-V107 HydrophobicContact CB-CG1 4.4Å; P85-V107 HydrophobicContact CG-CG1 4.21Å
86F93.8Very high92.6Very high75 Ų7528.7 Ų28.733%0.32917%0.173SC..THydrogen-bonded Turntrans-123.46.4-179-52.9-51.3000114.2L4 D84 A88 V95 V107 H109L4-F86 HydrophobicContact CD2-CE1 4.3Å; L4-F86 HydrophobicContact CD2-CZ 4.45Å; D84-F86 PolarHBondContact O-N 3.3Å; D84-F86 PolarHBondContact OD1-N 2.96Å; F86-A88 PolarHBondContact O-N 3.22Å; F86-V95 HydrophobicContact CE1-CG2 4.11Å; F86-V95 HydrophobicContact CZ-CG2 4.03Å; F86-V107 HydrophobicContact CD2-CG1 4.37Å; F86-V107 HydrophobicContact CE2-CB 4.25Å; F86-V107 HydrophobicContact CE2-CG1 3.68Å; F86-V107 HydrophobicContact CE2-CG2 3.73Å; F86-V107 HydrophobicContact CZ-CG1 4.25Å; F86-V107 HydrophobicContact CZ-CG2 3.72Å; F86-H109 AromaticContact CD2-CE1 3.94Å
87G86.4Confident92.5Very high17 Ų1729.8 Ų29.818%0.17517%0.173CC..SBendtrans-65.1-36.4-173.600000114.1D84 S112 M114D84-G87 PolarHBondContact O-N 3.15Å; D84-G87 VanDerWaalsContact O-N 3.15Å; D84-G87 PolarHBondContact OD1-N 3.14Å; G87-S112 WeakPolarHBondContact CA-OG 3.24Å; G87-M114 WeakPolarHBondContact O-CG 3.38Å
88A81.3Confident92.4Very high58 Ų5829.8 Ų29.848%0.47917%0.173SC..SBendtrans-163.739.9-179.300000111.4F86 L162F86-A88 PolarHBondContact O-N 3.22Å; A88-L162 HydrophobicContact CB-CD1 3.65Å
89T81.8Confident92.3Very high32 Ų3233.3 Ų33.320%0.19620%0.195CC..SBendtrans-132.1170-170.3730000110.9T35 V81 P85 H91T35-T89 HydrophobicContact CG2-CG2 4.39Å; V81-T89 HydrophobicContact CG1-CG2 4.1Å; P85-T89 PolarHBondContact O-OG1 3.27Å; T89-H91 WeakPolarHBondContact CB-CD2 3.5Å; T89-H91 PolarHBondContact OG1-CD2 3.13Å; T89-H91 PolarHBondContact OG1-N 3.19Å
90T82.4Confident92.2Very high87 Ų8740.1 Ų40.153%0.53423%0.231SC..SBendtrans-98.512.9175.352.10000112.8S92 D93T90-S92 PolarHBondContact O-N 3.31Å; T90-D93 WeakPolarHBondContact O-CB 3.5Å; T90-D93 PolarHBondContact O-N 3.39Å
91H90.6Very high92.2Very high2 Ų243.1 Ų43.11%0.00926%0.256CS..THydrogen-bonded Turntrans-68.5-7.3-172.5-59.6-43.4000114.9L4 E32 F79 T89 D93 L94 V95L4-H91 HydrophobicContact CD2-CB 4.34Å; E32-H91 IonicContact OE2-NE2 2.94Å; F79-H91 AromaticContact CE1-CE1 3.81Å; F79-H91 AromaticContact CE1-CG 3.93Å; F79-H91 AromaticContact CE1-ND1 3.68Å; F79-H91 AromaticContact CZ-CE1 3.94Å; T89-H91 WeakPolarHBondContact CB-CD2 3.5Å; T89-H91 PolarHBondContact OG1-CD2 3.13Å; T89-H91 PolarHBondContact OG1-N 3.19Å; H91-D93 PolarHBondContact O-N 2.99Å; H91-L94 WeakPolarHBondContact O-CB 3.45Å; H91-L94 PolarHBondContact O-N 2.99Å; H91-L94 VanDerWaalsContact O-N 3.14Å; H91-V95 PolarHBondContact O-N 2.63Å
92S91.8Very high92.2Very high62 Ų6246.1 Ų46.143%0.43429%0.287SS..Hα-helixtrans-54.2-32.8164-58.60000112.2T90 V95 L96T90-S92 PolarHBondContact O-N 3.31Å; S92-V95 WeakPolarHBondContact O-CB 3.33Å; S92-V95 PolarHBondContact O-N 3Å; S92-L96 WeakPolarHBondContact O-CG 3.49Å; S92-L96 PolarHBondContact O-N 3.15Å
93D92.1Very high92.4Very high66 Ų6646.2 Ų46.235%0.35329%0.287SS..Hα-helixtrans-61.8-43.4175.4-177.360.9000112.1T90 H91 V95 L96 R97T90-D93 WeakPolarHBondContact O-CB 3.5Å; T90-D93 PolarHBondContact O-N 3.39Å; H91-D93 PolarHBondContact O-N 2.99Å; D93-V95 VanDerWaalsContact C-N 3.27Å; D93-V95 PolarHBondContact O-N 2.93Å; D93-L96 PolarHBondContact O-N 3.26Å; D93-L96 VanDerWaalsContact O-N 3.12Å; D93-R97 WeakPolarHBondContact O-CG 3.41Å; D93-R97 PolarHBondContact O-N 2.87Å; D93-R97 IonicContact OD1-NE 3.73Å; D93-R97 IonicContact OD2-CZ 3.65Å; D93-R97 IonicContact OD2-NE 2.81Å; D93-R97 PolarHBondContact OD2-NE 3.38Å; D93-R97 IonicContact OD2-NH2 3.77Å; D93-R97 PolarHBondContact OD2-NH2 3.01Å
94L92.5Very high92.6Very high3 Ų349.3 Ų49.32%0.01631%0.306CS..Hα-helixtrans-61.3-37.7177.2-175.863.8000111.7L2 A65 L69 F79 H91 R97 A98L2-L94 HydrophobicContact CD2-CD2 4.47Å; L2-L94 HydrophobicContact CD2-CG 4.24Å; A65-L94 HydrophobicContact CB-CD1 3.97Å; L69-L94 HydrophobicContact CD1-CD1 4.3Å; L69-L94 HydrophobicContact CD2-CD1 4.04Å; L69-L94 HydrophobicContact CG-CD1 4.08Å; F79-L94 HydrophobicContact CB-CD2 4.33Å; F79-L94 HydrophobicContact CD1-CD2 3.71Å; F79-L94 HydrophobicContact CD2-CD2 4.04Å; F79-L94 HydrophobicContact CE1-CD2 3.95Å; F79-L94 HydrophobicContact CE2-CD2 4.29Å; F79-L94 HydrophobicContact CG-CD2 3.75Å; F79-L94 HydrophobicContact CZ-CD2 4.23Å; H91-L94 WeakPolarHBondContact O-CB 3.45Å; H91-L94 PolarHBondContact O-N 2.99Å; H91-L94 VanDerWaalsContact O-N 3.14Å; L94-R97 PolarHBondContact O-N 3.08Å; L94-A98 PolarHBondContact O-N 2.87Å
95V95.1Very high92.7Very high13 Ų1353.6 Ų53.68%0.07932%0.321CS..Hα-helixtrans-64.3-45.8174.1176.10000111.1L4 F86 H91 S92 D93 R97 A98 V99 Y105L4-V95 HydrophobicContact CD1-CG2 3.88Å; L4-V95 HydrophobicContact CD2-CG2 3.56Å; L4-V95 HydrophobicContact CG-CG2 4.41Å; F86-V95 HydrophobicContact CE1-CG2 4.11Å; F86-V95 HydrophobicContact CZ-CG2 4.03Å; H91-V95 PolarHBondContact O-N 2.63Å; S92-V95 WeakPolarHBondContact O-CB 3.33Å; S92-V95 PolarHBondContact O-N 3Å; D93-V95 VanDerWaalsContact C-N 3.27Å; D93-V95 PolarHBondContact O-N 2.93Å; V95-R97 VanDerWaalsContact C-N 3.32Å; V95-R97 PolarHBondContact O-N 3.1Å; V95-A98 PolarHBondContact O-N 3.25Å; V95-V99 HydrophobicContact CG1-CG2 4.47Å; V95-V99 WeakPolarHBondContact O-CG2 3.26Å; V95-V99 PolarHBondContact O-N 3.09Å; V95-Y105 HydrophobicContact CG1-CD1 3.98Å; V95-Y105 HydrophobicContact CG1-CD2 3.87Å; V95-Y105 HydrophobicContact CG1-CE1 3.66Å; V95-Y105 HydrophobicContact CG1-CE2 3.53Å; V95-Y105 HydrophobicContact CG1-CG 4.08Å; V95-Y105 VanDerWaalsContact CG1-CZ 3.42Å; V95-Y105 HydrophobicContact CG2-CD2 4.35Å; V95-Y105 HydrophobicContact CG2-CE2 4.45Å
96L95.8Very high92.8Very high103 Ų10359.3 Ų59.354%0.53934%0.343SS..Hα-helixtrans-60.9-41.5178-68.9173.8000111.6S92 D93 V99 N100S92-L96 WeakPolarHBondContact O-CG 3.49Å; S92-L96 PolarHBondContact O-N 3.15Å; D93-L96 PolarHBondContact O-N 3.26Å; D93-L96 VanDerWaalsContact O-N 3.12Å; L96-V99 PolarHBondContact O-N 2.95Å; L96-N100 WeakPolarHBondContact O-CB 3.17Å; L96-N100 VanDerWaalsContact O-CG 3.26Å; L96-N100 PolarHBondContact O-N 2.94Å; L96-N100 PolarHBondContact O-ND2 3.46Å
97R95.2Very high93Very high72 Ų7257.3 Ų57.327%0.27234%0.337SS..Hα-helixtrans-62-44.9174.8-67.4-177.7-164.4-153.29.9112.1E62 L69 D93 L94 V95 V99 N100 A101E62-R97 PolarHBondContact O-NH1 3.25Å; E62-R97 PolarHBondContact O-NH2 2.97Å; L69-R97 HydrophobicContact CD1-CB 3.71Å; D93-R97 WeakPolarHBondContact O-CG 3.41Å; D93-R97 PolarHBondContact O-N 2.87Å; D93-R97 IonicContact OD1-NE 3.73Å; D93-R97 IonicContact OD2-CZ 3.65Å; D93-R97 IonicContact OD2-NE 2.81Å; D93-R97 PolarHBondContact OD2-NE 3.38Å; D93-R97 IonicContact OD2-NH2 3.77Å; D93-R97 PolarHBondContact OD2-NH2 3.01Å; L94-R97 PolarHBondContact O-N 3.08Å; V95-R97 VanDerWaalsContact C-N 3.32Å; V95-R97 PolarHBondContact O-N 3.1Å; R97-V99 PolarHBondContact O-N 3.23Å; R97-N100 PolarHBondContact O-N 3.49Å; R97-A101 WeakPolarHBondContact O-CB 3.47Å; R97-A101 PolarHBondContact O-N 2.84Å
98A95.7Very high93.6Very high0 Ų056.7 Ų56.70%033%0.33CS..Hα-helixtrans-58.8-46.4175.900000111.7L2 L69 L94 V95 N100 A101 G102 I103L2-A98 HydrophobicContact CD2-CB 3.93Å; L69-A98 HydrophobicContact CD2-CB 3.92Å; L94-A98 PolarHBondContact O-N 2.87Å; V95-A98 PolarHBondContact O-N 3.25Å; A98-N100 PolarHBondContact O-N 3.01Å; A98-A101 CarbonylContact O-C 3.55Å; A98-A101 PolarHBondContact O-N 3.5Å; A98-G102 PolarHBondContact O-N 3.19Å; A98-I103 HydrophobicContact CB-CB 4.21Å; A98-I103 HydrophobicContact CB-CG2 4.4Å; A98-I103 WeakPolarHBondContact O-CB 3.43Å; A98-I103 PolarHBondContact O-N 3.47Å
99V96.5Very high94.4Very high75 Ų7559.2 Ų59.246%0.45533%0.331SS..Hα-helixtrans-60.9-45.9177.7171.30000111.5V95 L96 R97 A101 G102 Y105V95-V99 HydrophobicContact CG1-CG2 4.47Å; V95-V99 WeakPolarHBondContact O-CG2 3.26Å; V95-V99 PolarHBondContact O-N 3.09Å; L96-V99 PolarHBondContact O-N 2.95Å; R97-V99 PolarHBondContact O-N 3.23Å; V99-A101 PolarHBondContact O-N 2.83Å; V99-G102 PolarHBondContact O-N 2.69Å; V99-Y105 HydrophobicContact CG2-CD1 3.83Å; V99-Y105 HydrophobicContact CG2-CE1 3.57Å
100N96.3Very high95.2Very high142 Ų14259.1 Ų59.176%0.75933%0.33SS*.Hα-helixtrans-63.6-30.7178.7-72.2-22.6000112.8L96 R97 A98 G102L96-N100 WeakPolarHBondContact O-CB 3.17Å; L96-N100 VanDerWaalsContact O-CG 3.26Å; L96-N100 PolarHBondContact O-N 2.94Å; L96-N100 PolarHBondContact O-ND2 3.46Å; R97-N100 PolarHBondContact O-N 3.49Å; A98-N100 PolarHBondContact O-N 3.01Å; N100-G102 VanDerWaalsContact C-N 3.27Å; N100-G102 PolarHBondContact O-N 3.02Å
101A95.3Very high95.8Very high64 Ų6456.7 Ų56.753%0.52932%0.318SS..THydrogen-bonded Turntrans-82.71.517500000113.7R97 A98 V99 I103R97-A101 WeakPolarHBondContact O-CB 3.47Å; R97-A101 PolarHBondContact O-N 2.84Å; A98-A101 CarbonylContact O-C 3.55Å; A98-A101 PolarHBondContact O-N 3.5Å; V99-A101 PolarHBondContact O-N 2.83Å; A101-I103 HydrophobicContact CB-CD1 3.79Å; A101-I103 HydrophobicContact CB-CG1 4.06Å; A101-I103 PolarHBondContact O-N 2.81Å
102G96.4Very high96Very high63 Ų6357.1 Ų57.165%0.64932%0.321SS*.THydrogen-bonded Turntrans71.415.9-176.600000114.1A98 V99 N100A98-G102 PolarHBondContact O-N 3.19Å; V99-G102 PolarHBondContact O-N 2.69Å; N100-G102 VanDerWaalsContact C-N 3.27Å; N100-G102 PolarHBondContact O-N 3.02Å
103I97.7Very high96.2Very high14 Ų1455.7 Ų55.77%0.07231%0.308CS..  trans-85.2122.1-179.5-64165000108.7L2 L69 A72 D73 A98 A101L2-I103 HydrophobicContact CB-CG2 4.25Å; L69-I103 HydrophobicContact CB-CD1 3.93Å; L69-I103 HydrophobicContact CD2-CD1 4.44Å; A72-I103 HydrophobicContact CB-CD1 4.33Å; A72-I103 HydrophobicContact CB-CG2 3.86Å; D73-I103 HydrophobicContact CB-CG1 4.24Å; A98-I103 HydrophobicContact CB-CB 4.21Å; A98-I103 HydrophobicContact CB-CG2 4.4Å; A98-I103 WeakPolarHBondContact O-CB 3.43Å; A98-I103 PolarHBondContact O-N 3.47Å; A101-I103 HydrophobicContact CB-CD1 3.79Å; A101-I103 HydrophobicContact CB-CG1 4.06Å; A101-I103 PolarHBondContact O-N 2.81Å
104P97.2Very high96.3Very high69 Ų6956.3 Ų56.345%0.44831%0.31SS..  trans-65.1144.6173.327.6-32.4000109.5M1 L2M1-P104 WeakPolarHBondContact CA-O 3.47Å; M1-P104 HydrophobicContact CB-CG 4.06Å; M1-P104 HydrophobicContact CG-CB 3.98Å; M1-P104 HydrophobicContact CG-CG 3.99Å; M1-P104 WeakPolarHBondContact CG-O 3.31Å; M1-P104 HydrophobicContact SD-CB 4.41Å; L2-P104 PolarHBondContact N-O 2.6Å
105Y97.6Very high96.5Very high108 Ų10860 Ų6042%0.42433%0.33SS..EExtended strand (participates in β ladder)trans-130.1157.8176.377.9-83.7000112.2L2 V95 V99 V107L2-Y105 CarbonylContact O-C 3.49Å; L2-Y105 WeakPolarHBondContact O-CA 3.37Å; V95-Y105 HydrophobicContact CG1-CD1 3.98Å; V95-Y105 HydrophobicContact CG1-CD2 3.87Å; V95-Y105 HydrophobicContact CG1-CE1 3.66Å; V95-Y105 HydrophobicContact CG1-CE2 3.53Å; V95-Y105 HydrophobicContact CG1-CG 4.08Å; V95-Y105 VanDerWaalsContact CG1-CZ 3.42Å; V95-Y105 HydrophobicContact CG2-CD2 4.35Å; V95-Y105 HydrophobicContact CG2-CE2 4.45Å; V99-Y105 HydrophobicContact CG2-CD1 3.83Å; V99-Y105 HydrophobicContact CG2-CE1 3.57Å; Y105-V107 HydrophobicContact CD2-CG2 3.94Å; Y105-V107 HydrophobicContact CE2-CG2 3.83Å
106R98Very high96.6Very high120 Ų12060.7 Ų60.745%0.45334%0.337SS..EExtended strand (participates in β ladder)trans-139.5129.9174.1-173.8175-174.5175.45.3110.4M1 L2 Y3 L4M1-R106 HydrophobicContact CE-CB 4.04Å; M1-R106 HydrophobicContact SD-CB 4.22Å; L2-R106 PolarHBondContact O-N 3.14Å; Y3-R106 CarbonylContact C-O 3.57Å; Y3-R106 VanDerWaalsContact CA-O 3.31Å; Y3-R106 WeakPolarHBondContact CA-O 3.47Å; Y3-R106 HydrophobicContact CD1-CB 4.06Å; Y3-R106 HydrophobicContact CD1-CG 4.4Å; Y3-R106 HydrophobicContact CE1-CB 4.33Å; L4-R106 PolarHBondContact N-O 2.67Å
107V98.3Very high96.7Very high33 Ų3355.8 Ų55.820%0.231%0.311CS..EExtended strand (participates in β ladder)trans-98.1134.5175.2-1740000109.7L4 P85 F86 Y105L4-V107 HydrophobicContact CB-CG2 4.43Å; L4-V107 CarbonylContact O-C 3.45Å; L4-V107 WeakPolarHBondContact O-CA 3.4Å; P85-V107 HydrophobicContact CB-CG1 4.4Å; P85-V107 HydrophobicContact CG-CG1 4.21Å; F86-V107 HydrophobicContact CD2-CG1 4.37Å; F86-V107 HydrophobicContact CE2-CB 4.25Å; F86-V107 HydrophobicContact CE2-CG1 3.68Å; F86-V107 HydrophobicContact CE2-CG2 3.73Å; F86-V107 HydrophobicContact CZ-CG1 4.25Å; F86-V107 HydrophobicContact CZ-CG2 3.72Å; Y105-V107 HydrophobicContact CD2-CG2 3.94Å; Y105-V107 HydrophobicContact CE2-CG2 3.83Å
108I98.4Very high96.8Very high5 Ų553.5 Ų53.53%0.02631%0.31CS..EExtended strand (participates in β ladder)trans-119.2103.7171.2-60.2176.2000107.1Y3 L4 I5 G6 K18 A22Y3-I108 HydrophobicContact CD1-CD1 4.18Å; L4-I108 PolarHBondContact O-N 2.8Å; I5-I108 HydrophobicContact CD1-CD1 4.36Å; I5-I108 HydrophobicContact CG1-CB 4.41Å; I5-I108 HydrophobicContact CG1-CD1 4.18Å; I5-I108 HydrophobicContact CG2-CB 4.27Å; I5-I108 HydrophobicContact CG2-CG2 4.34Å; G6-I108 PolarHBondContact N-O 3.42Å; K18-I108 HydrophobicContact CB-CG2 4.32Å; K18-I108 HydrophobicContact CD-CD1 4.44Å; K18-I108 HydrophobicContact CD-CG1 4.23Å; K18-I108 HydrophobicContact CD-CG2 4.23Å; K18-I108 HydrophobicContact CG-CD1 4.1Å; K18-I108 HydrophobicContact CG-CG1 4.42Å; K18-I108 HydrophobicContact CG-CG2 4.35Å; A22-I108 HydrophobicContact CB-CD1 3.59Å
109H98.2Very high96.8Very high111 Ų11156.2 Ų56.251%0.51433%0.328SS..  trans-69.8160.5-179.3-66.4-68.5000113.5D84 F86D84-H109 IonicContact OD1-ND1 3.5Å; D84-H109 WeakPolarHBondContact OD2-CA 3.44Å; D84-H109 VanDerWaalsContact OD2-CB 3.28Å; D84-H109 WeakPolarHBondContact OD2-CB 3.26Å; D84-H109 IonicContact OD2-CG 3.32Å; D84-H109 IonicContact OD2-ND1 3.36Å; D84-H109 PolarHBondContact OD2-ND1 2.98Å; F86-H109 AromaticContact CD2-CE1 3.94Å
110N97.5Very high96.8Very high30 Ų3052.8 Ų52.816%0.1631%0.307CS..  trans-149.5-172.8172.8-147.8-25000112.1G6 L7 G8 D14 D84G6-N110 WeakPolarHBondContact O-CB 3.4Å; G6-N110 PolarHBondContact O-ND2 3.05Å; L7-N110 VanDerWaalsContact C-ND2 3.29Å; G8-N110 PolarHBondContact N-ND2 2.97Å; G8-N110 VanDerWaalsContact N-ND2 3.18Å; D14-N110 PolarHBondContact O-ND2 3.27Å; D14-N110 PolarHBondContact O-OD1 3.21Å; D84-N110 PolarHBondContact OD2-N 3.46Å
111A95.6Very high96.8Very high36 Ų3646.6 Ų46.630%0.29828%0.278SS..  trans-61.6148170.900000111.4L9 G83 D84L9-A111 HydrophobicContact CD1-CB 4.37Å; L9-A111 HydrophobicContact CG-CB 4.37Å; G83-A111 CarbonylContact C-O 3.6Å; G83-A111 WeakPolarHBondContact CA-O 3.04Å; D84-A111 PolarHBondContact N-O 3.24Å
112S95.4Very high96.9Very high10 Ų1043.8 Ų43.87%0.0725%0.253CS..  trans-136153.3-179.5177.10000110G87 M114 N115 A116G87-S112 WeakPolarHBondContact CA-OG 3.24Å; S112-M114 PolarHBondContact O-N 2.86Å; S112-M114 VanDerWaalsContact O-N 3.09Å; S112-M114 PolarHBondContact OG-N 3.12Å; S112-N115 PolarHBondContact N-OD1 3.48Å; S112-N115 PolarHBondContact O-N 3.2Å; S112-N115 VanDerWaalsContact O-N 3.1Å; S112-N115 PolarHBondContact O-OD1 3.28Å; S112-A116 VanDerWaalsContact O-CB 3.26Å; S112-A116 WeakPolarHBondContact O-CB 3.26Å; S112-A116 PolarHBondContact O-N 2.99Å
113I94.8Very high97Very high32 Ų3242.6 Ų42.616%0.16423%0.231CC..Hα-helixtrans-54.2-31.8169.9-174.854.9000112N115 V117 L160 L162 L226I113-N115 VanDerWaalsContact C-N 3.26Å; I113-N115 PolarHBondContact O-N 3.34Å; I113-V117 WeakPolarHBondContact O-CB 3.42Å; I113-V117 PolarHBondContact O-N 3.19Å; I113-V117 VanDerWaalsContact O-N 3.08Å; I113-L160 HydrophobicContact CG1-CD2 4.4Å; I113-L162 HydrophobicContact CG1-CD2 4.34Å; I113-L162 HydrophobicContact CG2-CD2 3.85Å; I113-L226 HydrophobicContact CD1-CB 4.35Å; I113-L226 HydrophobicContact CD1-CD2 3.41Å; I113-L226 VanDerWaalsContact CD1-CD2 3.41Å
114M95.8Very high97Very high79 Ų7945.8 Ų45.839%0.38925%0.248SC..Hα-helixtrans-60.5-31.7179.5-64.3-62.6-72.100113.9G87 S112 T130 L160G87-M114 WeakPolarHBondContact O-CG 3.38Å; S112-M114 PolarHBondContact O-N 2.86Å; S112-M114 VanDerWaalsContact O-N 3.09Å; S112-M114 PolarHBondContact OG-N 3.12Å; M114-T130 WeakPolarHBondContact CE-OG1 3.24Å; M114-T130 HydrophobicContact SD-CG2 4.09Å; M114-L160 HydrophobicContact SD-CD2 3.76Å
115N95.9Very high96.9Very high82 Ų8250.4 Ų50.444%0.43926%0.258SS..Hα-helixtrans-105.1-35.8177.861.111000112.2S112 I113 V117 G118 L124S112-N115 PolarHBondContact N-OD1 3.48Å; S112-N115 PolarHBondContact O-N 3.2Å; S112-N115 VanDerWaalsContact O-N 3.1Å; S112-N115 PolarHBondContact O-OD1 3.28Å; I113-N115 VanDerWaalsContact C-N 3.26Å; I113-N115 PolarHBondContact O-N 3.34Å; N115-V117 PolarHBondContact O-N 3.11Å; N115-G118 PolarHBondContact O-N 2.97Å; N115-L124 HydrophobicContact CB-CD1 4.48Å; N115-L124 WeakPolarHBondContact O-CD1 3.43Å
116A96.8Very high96.9Very high26 Ų2647.1 Ų47.122%0.21525%0.247CC..Hα-helixtrans-64.9-26.7179.900000112.5L9 S112 G118 C119 L226L9-A116 HydrophobicContact CD1-CB 3.46Å; L9-A116 VanDerWaalsContact CD1-CB 3.46Å; S112-A116 VanDerWaalsContact O-CB 3.26Å; S112-A116 WeakPolarHBondContact O-CB 3.26Å; S112-A116 PolarHBondContact O-N 2.99Å; A116-G118 PolarHBondContact O-N 3.17Å; A116-C119 WeakPolarHBondContact O-CB 3.44Å; A116-C119 PolarHBondContact O-N 2.89Å; A116-C119 PolarHBondContact O-SG 2.68Å; A116-L226 VanDerWaalsContact C-CD2 3.46Å; A116-L226 HydrophobicContact CB-CD2 3.44Å; A116-L226 VanDerWaalsContact CB-CD2 3.44Å; A116-L226 HydrophobicContact CB-CG 4.09Å
117V97.5Very high96.9Very high1 Ų143.1 Ų43.11%0.00623%0.233CC..G310 helixtrans-52.6-26.5177.1680000112.8I113 N115 C119 C120 L124 F127 L160 L223 V254I113-V117 WeakPolarHBondContact O-CB 3.42Å; I113-V117 PolarHBondContact O-N 3.19Å; I113-V117 VanDerWaalsContact O-N 3.08Å; N115-V117 PolarHBondContact O-N 3.11Å; V117-C119 PolarHBondContact O-N 2.77Å; V117-C120 PolarHBondContact O-N 3.05Å; V117-C120 PolarHBondContact O-SG 2.61Å; V117-L124 HydrophobicContact CG1-CD2 3.74Å; V117-F127 HydrophobicContact CG1-CE1 4.2Å; V117-F127 HydrophobicContact CG1-CZ 4.07Å; V117-F127 HydrophobicContact CG2-CE1 4.18Å; V117-F127 HydrophobicContact CG2-CZ 4.06Å; V117-L160 HydrophobicContact CG1-CD2 4.42Å; V117-L160 HydrophobicContact CG2-CD1 4.13Å; V117-L223 HydrophobicContact CG2-CD1 4.31Å; V117-L223 HydrophobicContact CG2-CD2 4.2Å; V117-V254 HydrophobicContact CG2-CG2 3.55Å
118G97.1Very high96.9Very high23 Ų2342.6 Ų42.624%0.23724%0.235CC..G310 helixtrans-57.7-18.3176.200000114.6N115 A116 C120 G121N115-G118 PolarHBondContact O-N 2.97Å; A116-G118 PolarHBondContact O-N 3.17Å; G118-C120 PolarHBondContact O-N 3.31Å; G118-C120 VanDerWaalsContact O-N 3.14Å; G118-G121 PolarHBondContact O-N 2.94Å
119C96.1Very high96.9Very high58 Ų5846.9 Ų46.939%0.39225%0.254SS..G310 helixtrans-59.6-20.517270.90000113.7A116 V117 G121 L226A116-C119 WeakPolarHBondContact O-CB 3.44Å; A116-C119 PolarHBondContact O-N 2.89Å; A116-C119 PolarHBondContact O-SG 2.68Å; V117-C119 PolarHBondContact O-N 2.77Å; C119-G121 PolarHBondContact O-N 3.24Å; C119-L226 HydrophobicContact CB-CD1 4.49Å; C119-L226 WeakPolarHBondContact SG-CD1 3.34Å
120C96.7Very high96.9Very high2 Ų243.4 Ų43.41%0.01424%0.241CC..G310 helixtrans-70.9-5.7174.170.80000113.5V117 G118 V221 L223 V233V117-C120 PolarHBondContact O-N 3.05Å; V117-C120 PolarHBondContact O-SG 2.61Å; G118-C120 PolarHBondContact O-N 3.31Å; G118-C120 VanDerWaalsContact O-N 3.14Å; C120-V221 HydrophobicContact CB-CG1 3.85Å; C120-L223 HydrophobicContact CB-CD2 4.16Å; C120-V233 HydrophobicContact CB-CG1 4.06Å
121G96.4Very high96.9Very high13 Ų1342.2 Ų42.213%0.13424%0.235CC..SBendtrans93.7-6.217800000114.9G118 C119G118-G121 PolarHBondContact O-N 2.94Å; C119-G121 PolarHBondContact O-N 3.24Å
122L98.1Very high97Very high4 Ų444 Ų442%0.02125%0.245CC..  trans-78.6142173-59.6177000110.5L124 F127 V221 V254 T256 L259 E263 L267L122-L124 PolarHBondContact O-N 2.86Å; L122-F127 HydrophobicContact CB-CE2 3.75Å; L122-F127 HydrophobicContact CB-CZ 3.96Å; L122-F127 HydrophobicContact CD1-CZ 4.08Å; L122-V221 HydrophobicContact CD1-CG2 4.24Å; L122-V254 HydrophobicContact CD1-CB 4.44Å; L122-V254 HydrophobicContact CD1-CG1 3.58Å; L122-T256 HydrophobicContact CD1-CG2 4.06Å; L122-T256 HydrophobicContact CD2-CG2 4.48Å; L122-L259 HydrophobicContact CD2-CD2 3.46Å; L122-L259 VanDerWaalsContact CD2-CD2 3.46Å; L122-E263 HydrophobicContact CD2-CB 4.07Å; L122-E263 HydrophobicContact CD2-CG 4.34Å; L122-L267 HydrophobicContact CD2-CD1 4.16Å; L122-L267 HydrophobicContact CD2-CD2 4.25Å; L122-L267 HydrophobicContact CD2-CG 4.36Å; L122-L267 HydrophobicContact CG-CD2 4.42Å
123Q97.5Very high97.1Very high38 Ų3843.5 Ų43.518%0.17824%0.242CC..  trans-76122.1-176.4-66.3172.8-17.600110Y125 N126 F127 E263Q123-Y125 HydrophobicContact CB-CD1 4.21Å; Q123-Y125 HydrophobicContact CB-CD2 4.28Å; Q123-Y125 HydrophobicContact CB-CE1 3.8Å; Q123-Y125 HydrophobicContact CB-CE2 3.84Å; Q123-Y125 HydrophobicContact CB-CG 4.46Å; Q123-Y125 VanDerWaalsContact CD-CZ 3.4Å; Q123-Y125 HydrophobicContact CG-CE1 4.18Å; Q123-Y125 HydrophobicContact CG-CE2 4.41Å; Q123-Y125 PolarHBondContact NE2-OH 3.38Å; Q123-Y125 PolarHBondContact O-N 2.96Å; Q123-Y125 VanDerWaalsContact O-N 3.12Å; Q123-Y125 VanDerWaalsContact OE1-CE2 3.24Å; Q123-Y125 PolarHBondContact OE1-OH 3.14Å; Q123-N126 HydrophobicContact CB-CB 4.49Å; Q123-N126 WeakPolarHBondContact O-CB 3.28Å; Q123-N126 PolarHBondContact O-N 3.12Å; Q123-N126 PolarHBondContact OE1-ND2 3.06Å; Q123-F127 WeakPolarHBondContact O-CD2 3.35Å; Q123-E263 WeakPolarHBondContact CB-OE1 3.18Å; Q123-E263 HydrophobicContact CG-CG 4.03Å; Q123-E263 WeakPolarHBondContact CG-OE1 3.2Å; Q123-E263 PolarHBondContact N-OE1 3.46Å
124L97.6Very high97.1Very high82 Ų8243.6 Ų43.643%0.42924%0.244SC..G310 helixtrans-56.9-32.1-176.1-71.3177000113.8N115 V117 L122 N126 F127N115-L124 HydrophobicContact CB-CD1 4.48Å; N115-L124 WeakPolarHBondContact O-CD1 3.43Å; V117-L124 HydrophobicContact CG1-CD2 3.74Å; L122-L124 PolarHBondContact O-N 2.86Å; L124-N126 PolarHBondContact O-N 3.12Å; L124-F127 PolarHBondContact O-N 3.3Å
125Y96.5Very high97.1Very high165 Ų16540.5 Ų40.565%0.64723%0.228SC*.G310 helixtrans-73-11.2178.255.2-103.8000113.9Q123Q123-Y125 HydrophobicContact CB-CD1 4.21Å; Q123-Y125 HydrophobicContact CB-CD2 4.28Å; Q123-Y125 HydrophobicContact CB-CE1 3.8Å; Q123-Y125 HydrophobicContact CB-CE2 3.84Å; Q123-Y125 HydrophobicContact CB-CG 4.46Å; Q123-Y125 VanDerWaalsContact CD-CZ 3.4Å; Q123-Y125 HydrophobicContact CG-CE1 4.18Å; Q123-Y125 HydrophobicContact CG-CE2 4.41Å; Q123-Y125 PolarHBondContact NE2-OH 3.38Å; Q123-Y125 PolarHBondContact O-N 2.96Å; Q123-Y125 VanDerWaalsContact O-N 3.12Å; Q123-Y125 VanDerWaalsContact OE1-CE2 3.24Å; Q123-Y125 PolarHBondContact OE1-OH 3.14Å
126N97.1Very high97Very high39 Ų3938.6 Ų38.621%0.20922%0.215CC..G310 helixtrans-95.89.2174.8-66.8-22.8000112.5Q123 L124 L157 H158Q123-N126 HydrophobicContact CB-CB 4.49Å; Q123-N126 WeakPolarHBondContact O-CB 3.28Å; Q123-N126 PolarHBondContact O-N 3.12Å; Q123-N126 PolarHBondContact OE1-ND2 3.06Å; L124-N126 PolarHBondContact O-N 3.12Å; N126-L157 CarbonylContact O-C 3.59Å; N126-L157 VanDerWaalsContact O-CA 3.25Å; N126-L157 WeakPolarHBondContact O-CA 3.47Å; N126-H158 PolarHBondContact O-N 3.43Å
127F98.4Very high96.6Very high36 Ų3640.8 Ų40.816%0.15823%0.226CC..BIsolated β-bridgetrans-87134.3172.7-77.9-104.7000111.2V117 L122 Q123 L124 H158 L160 V254V117-F127 HydrophobicContact CG1-CE1 4.2Å; V117-F127 HydrophobicContact CG1-CZ 4.07Å; V117-F127 HydrophobicContact CG2-CE1 4.18Å; V117-F127 HydrophobicContact CG2-CZ 4.06Å; L122-F127 HydrophobicContact CB-CE2 3.75Å; L122-F127 HydrophobicContact CB-CZ 3.96Å; L122-F127 HydrophobicContact CD1-CZ 4.08Å; Q123-F127 WeakPolarHBondContact O-CD2 3.35Å; L124-F127 PolarHBondContact O-N 3.3Å; F127-H158 WeakPolarHBondContact CA-O 3.45Å; F127-H158 HydrophobicContact CD1-CB 3.97Å; F127-H158 HydrophobicContact CD2-CB 4.28Å; F127-H158 HydrophobicContact CE1-CB 4.02Å; F127-H158 HydrophobicContact CE2-CB 4.33Å; F127-H158 HydrophobicContact CG-CB 4.11Å; F127-H158 HydrophobicContact CZ-CB 4.21Å; F127-L160 HydrophobicContact CD1-CB 3.99Å; F127-L160 HydrophobicContact CE1-CB 4.1Å; F127-V254 HydrophobicContact CE1-CG1 3.7Å; F127-V254 HydrophobicContact CE1-CG2 4.06Å; F127-V254 HydrophobicContact CZ-CG1 4Å; F127-V254 HydrophobicContact CZ-CG2 4.39Å
128G98.2Very high96.1Very high22 Ų2249.8 Ų49.823%0.22727%0.268CS..  trans-94.8-146.6177.100000113T130 H158G128-T130 PolarHBondContact O-N 3.22Å; G128-H158 PolarHBondContact N-O 3.45Å
129E97.6Very high95.8Very high95 Ų9555.1 Ų55.144%0.44430%0.296SS..  trans-64.1117.4177.5-172.3-175.8174.800110.8K148 N152E129-K148 WeakPolarHBondContact OE1-CD 3.37Å; E129-K148 WeakPolarHBondContact OE1-CE 3.34Å; E129-K148 IonicContact OE1-NZ 2.77Å; E129-K148 PolarHBondContact OE1-NZ 2.84Å; E129-N152 PolarHBondContact N-ND2 2.89Å; E129-N152 VanDerWaalsContact N-ND2 3.18Å; E129-N152 PolarHBondContact N-OD1 3.02Å; E129-N152 PolarHBondContact O-ND2 2.78Å
130T98.3Very high95.5Very high39 Ų3959.2 Ų59.224%0.23930%0.303CS..  trans-65141.1170.7-65.40000110.7M114 G128 L160 L162M114-T130 WeakPolarHBondContact CE-OG1 3.24Å; M114-T130 HydrophobicContact SD-CG2 4.09Å; G128-T130 PolarHBondContact O-N 3.22Å; T130-L160 WeakPolarHBondContact CA-O 3.41Å; T130-L160 HydrophobicContact CG2-CB 4.31Å; T130-L160 HydrophobicContact CG2-CD2 4.37Å; T130-L160 HydrophobicContact CG2-CG 4.18Å; T130-L160 WeakPolarHBondContact CG2-O 3.42Å; T130-L162 HydrophobicContact CG2-CD1 3.91Å; T130-L162 HydrophobicContact CG2-CG 3.78Å
131V97.9Very high95.4Very high5 Ų564.4 Ų64.43%0.0333%0.325CS..EExtended strand (participates in β ladder)trans-121.9160.9-180-54.30000111.7F145 K148 I149 T159 L160 C161 L162V131-F145 HydrophobicContact CB-CB 3.93Å; V131-F145 HydrophobicContact CG1-CB 4.49Å; V131-F145 HydrophobicContact CG2-CB 4.11Å; V131-K148 HydrophobicContact CG1-CB 3.6Å; V131-K148 HydrophobicContact CG1-CD 3.95Å; V131-K148 HydrophobicContact CG1-CG 4.46Å; V131-I149 HydrophobicContact CG2-CD1 4.22Å; V131-I149 HydrophobicContact CG2-CG1 4.09Å; V131-T159 HydrophobicContact CB-CG2 4.48Å; V131-T159 HydrophobicContact CG1-CG2 3.95Å; V131-T159 HydrophobicContact CG2-CG2 3.84Å; V131-L160 PolarHBondContact N-O 3.48Å; V131-C161 HydrophobicContact CG2-CB 3.99Å; V131-C161 VanDerWaalsContact CG2-SG 3.51Å; V131-C161 WeakPolarHBondContact O-CA 3.31Å; V131-L162 PolarHBondContact O-N 3.42Å
132S96.9Very high95.3Very high73 Ų7365 Ų6551%0.5133%0.327SS..EExtended strand (participates in β ladder)trans-113.7122.3171.1-58.10000110.2L162S132-L162 CarbonylContact C-O 3.5Å; S132-L162 WeakPolarHBondContact CA-O 3.26Å
133V97.7Very high95.1Very high0 Ų066.6 Ų66.60%034%0.335CS..EExtended strand (participates in β ladder)trans-91.9114.9173-174.80000107.6F145 C161 L162 L163 D164 M188 A193V133-F145 HydrophobicContact CG1-CE1 4.31Å; V133-F145 HydrophobicContact CG1-CE2 4.14Å; V133-F145 HydrophobicContact CG1-CZ 3.96Å; V133-F145 HydrophobicContact CG2-CD2 4.05Å; V133-F145 HydrophobicContact CG2-CE2 4.27Å; V133-F145 HydrophobicContact CG2-CG 4.37Å; V133-C161 HydrophobicContact CG2-CB 3.98Å; V133-L162 PolarHBondContact N-O 2.93Å; V133-L163 HydrophobicContact CB-CD2 3.91Å; V133-L163 HydrophobicContact CG2-CD2 4.1Å; V133-D164 WeakPolarHBondContact O-CB 3.48Å; V133-D164 PolarHBondContact O-N 2.92Å; V133-M188 HydrophobicContact CB-SD 4.03Å; V133-M188 HydrophobicContact CG1-CE 4.24Å; V133-M188 HydrophobicContact CG1-SD 3.65Å; V133-A193 HydrophobicContact CG1-CB 4.26Å
134V95.4Very high95Very high34 Ų3468.7 Ų68.721%0.20635%0.354CS..PPolyproline II helixtrans-97.9151.9-176.7-62.40000111.4W136 W140 P142 D164 M188 Q196V134-W136 PolarHBondContact O-N 3.42Å; V134-W140 HydrophobicContact CG2-CH2 3.96Å; V134-W140 HydrophobicContact CG2-CZ3 3.93Å; V134-P142 HydrophobicContact CG2-CB 4.44Å; V134-P142 HydrophobicContact CG2-CG 3.31Å; V134-D164 WeakPolarHBondContact CA-OD2 3.5Å; V134-M188 WeakPolarHBondContact O-CE 3.25Å; V134-Q196 PolarHBondContact O-NE2 2.84Å
135F94.9Very high94.9Very high14 Ų1465.1 Ų65.16%0.06133%0.334CS..PPolyproline II helixtrans-61.1132.8173.5-80.9-69.9000110.6D164 K166 R186 M188F135-D164 HydrophobicContact CD2-CB 3.66Å; F135-D164 HydrophobicContact CE2-CB 4.07Å; F135-D164 HydrophobicContact CG-CB 4.4Å; F135-D164 PolarHBondContact N-OD2 2.83Å; F135-K166 HydrophobicContact CD2-CD 4.26Å; F135-K166 HydrophobicContact CD2-CG 3.65Å; F135-K166 HydrophobicContact CE2-CG 3.95Å; F135-R186 HydrophobicContact CE2-CB 4.22Å; F135-R186 HydrophobicContact CZ-CB 4.35Å; F135-M188 HydrophobicContact CB-CE 4.27Å; F135-M188 HydrophobicContact CD1-CE 3.68Å; F135-M188 HydrophobicContact CD2-CE 4.34Å; F135-M188 HydrophobicContact CE1-CB 3.96Å; F135-M188 HydrophobicContact CE1-CE 4.09Å; F135-M188 HydrophobicContact CE1-CG 4.36Å; F135-M188 HydrophobicContact CE2-CB 3.88Å; F135-M188 HydrophobicContact CG-CE 3.83Å; F135-M188 VanDerWaalsContact CZ-CA 3.41Å; F135-M188 HydrophobicContact CZ-CB 3.58Å; F135-M188 HydrophobicContact CZ-CG 4.45Å
136W94.4Very high94.9Very high41 Ų4157.3 Ų57.316%0.15530%0.304CS..PPolyproline II helixtrans-74.6148.5165.6-74.1-1.9000112V134 K141 P142 Q196 Q199 I200V134-W136 PolarHBondContact O-N 3.42Å; W136-K141 HydrophobicContact CB-CG 4.07Å; W136-K141 HydrophobicContact CD2-CB 3.8Å; W136-K141 HydrophobicContact CD2-CD 3.98Å; W136-K141 HydrophobicContact CD2-CG 3.75Å; W136-K141 HydrophobicContact CE3-CB 4.35Å; W136-K141 HydrophobicContact CE3-CD 3.69Å; W136-K141 HydrophobicContact CE3-CG 4Å; W136-K141 HydrophobicContact CG-CB 3.96Å; W136-K141 HydrophobicContact CG-CG 3.82Å; W136-K141 HydrophobicContact CZ2-CB 4.26Å; W136-K141 HydrophobicContact CZ3-CD 4.03Å; W136-P142 PolarHBondContact NE1-O 3.41Å; W136-Q196 HydrophobicContact CD2-CG 4.01Å; W136-Q196 HydrophobicContact CE3-CG 4.02Å; W136-Q196 HydrophobicContact CG-CG 4.42Å; W136-Q196 HydrophobicContact CZ3-CG 4.39Å; W136-Q196 VanDerWaalsContact N-OE1 3.15Å; W136-Q199 HydrophobicContact CH2-CB 4.02Å; W136-Q199 HydrophobicContact CZ3-CB 3.87Å; W136-I200 HydrophobicContact CH2-CD1 4.38Å; W136-I200 HydrophobicContact CH2-CG1 3.75Å; W136-I200 HydrophobicContact CZ2-CD1 3.87Å; W136-I200 HydrophobicContact CZ2-CG1 3.65Å
137T89.4Confident94.8Very high72 Ų7258.6 Ų58.644%0.44231%0.311SS..  trans-111.3175.1162.673.40000109.2T139 W140T137-T139 PolarHBondContact O-N 3.1Å; T137-T139 PolarHBondContact OG1-N 3.05Å; T137-W140 PolarHBondContact N-O 2.78Å; T137-W140 WeakPolarHBondContact OG1-CB 3.35Å; T137-W140 PolarHBondContact OG1-N 3.15Å
138E86.3Confident94.8Very high191 Ų19160.3 Ų60.389%0.89332%0.318SS*.SBendtrans-58.6-34.8176.7-64.7-176.717100112.6
139T89.6Confident94.8Very high135 Ų13559.3 Ų59.383%0.82831%0.307SS*.SBendtrans-108.7-8.7-173.255.20000114T137T137-T139 PolarHBondContact O-N 3.1Å; T137-T139 PolarHBondContact OG1-N 3.05Å
140W91.4Very high94.7Very high144 Ų14455.9 Ų55.955%0.54529%0.294SS..  trans-136107.2-177.2-172.373.3000110.9V134 T137 P142V134-W140 HydrophobicContact CG2-CH2 3.96Å; V134-W140 HydrophobicContact CG2-CZ3 3.93Å; T137-W140 PolarHBondContact N-O 2.78Å; T137-W140 WeakPolarHBondContact OG1-CB 3.35Å; T137-W140 PolarHBondContact OG1-N 3.15Å; W140-P142 HydrophobicContact CD2-CG 4.04Å; W140-P142 HydrophobicContact CE3-CG 3.89Å; W140-P142 HydrophobicContact CH2-CB 4.3Å; W140-P142 HydrophobicContact CH2-CG 3.53Å; W140-P142 HydrophobicContact CZ2-CB 3.94Å; W140-P142 HydrophobicContact CZ2-CG 3.62Å; W140-P142 HydrophobicContact CZ3-CG 3.64Å
141K94.8Very high94.6Very high110 Ų11060.8 Ų60.848%0.47831%0.312SS..  trans-125.370.3-177.9-63-169.8174.7-169.90110.8W136W136-K141 HydrophobicContact CB-CG 4.07Å; W136-K141 HydrophobicContact CD2-CB 3.8Å; W136-K141 HydrophobicContact CD2-CD 3.98Å; W136-K141 HydrophobicContact CD2-CG 3.75Å; W136-K141 HydrophobicContact CE3-CB 4.35Å; W136-K141 HydrophobicContact CE3-CD 3.69Å; W136-K141 HydrophobicContact CE3-CG 4Å; W136-K141 HydrophobicContact CG-CB 3.96Å; W136-K141 HydrophobicContact CG-CG 3.82Å; W136-K141 HydrophobicContact CZ2-CB 4.26Å; W136-K141 HydrophobicContact CZ3-CD 4.03Å
142P93.9Very high94.6Very high27 Ų2761.1 Ų61.118%0.17531%0.313CS..  trans-65.9145.3177.932.5-40000110.2V134 W136 W140 F145V134-P142 HydrophobicContact CG2-CB 4.44Å; V134-P142 HydrophobicContact CG2-CG 3.31Å; W136-P142 PolarHBondContact NE1-O 3.41Å; W140-P142 HydrophobicContact CD2-CG 4.04Å; W140-P142 HydrophobicContact CE3-CG 3.89Å; W140-P142 HydrophobicContact CH2-CB 4.3Å; W140-P142 HydrophobicContact CH2-CG 3.53Å; W140-P142 HydrophobicContact CZ2-CB 3.94Å; W140-P142 HydrophobicContact CZ2-CG 3.62Å; W140-P142 HydrophobicContact CZ3-CG 3.64Å; P142-F145 VanDerWaalsContact O-CE1 3.22Å; P142-F145 WeakPolarHBondContact O-CE1 2.95Å
143E93.9Very high94.6Very high37 Ų3759.5 Ų59.517%0.17330%0.296CS..  trans-138.313.8-179.160.9170.3-135.700113.3F145 Y146 I200 R203 R204E143-F145 PolarHBondContact O-N 3.02Å; E143-Y146 WeakPolarHBondContact O-CB 3.47Å; E143-Y146 PolarHBondContact O-N 3.33Å; E143-I200 HydrophobicContact CB-CD1 3.69Å; E143-I200 HydrophobicContact CB-CG1 4.08Å; E143-R203 IonicContact OE1-NH2 3.65Å; E143-R203 PolarHBondContact OE1-NH2 3.28Å; E143-R203 IonicContact OE2-CZ 3.54Å; E143-R203 IonicContact OE2-NE 3.34Å; E143-R203 IonicContact OE2-NH2 3.77Å; E143-R203 PolarHBondContact OE2-NH2 3.21Å; E143-R204 IonicContact OE1-CZ 2.77Å; E143-R204 IonicContact OE1-NE 3.17Å; E143-R204 PolarHBondContact OE1-NE 3.14Å; E143-R204 VanDerWaalsContact OE1-NE 3.13Å; E143-R204 IonicContact OE1-NH2 2.8Å; E143-R204 PolarHBondContact OE1-NH2 2.99Å
144S94.1Very high94.5Very high82 Ų8263.4 Ų63.457%0.57333%0.329SS*.Hα-helixtrans-58.8-22.4-178.259.90000113.9Y146S144-Y146 VanDerWaalsContact C-N 3.29Å
145F96.3Very high94.5Very high6 Ų665.1 Ų65.13%0.02635%0.346CS..Hα-helixtrans-65.9-29.8172.256.5-99.2000112.6V131 V133 P142 E143 K148 I149 L197 I200V131-F145 HydrophobicContact CB-CB 3.93Å; V131-F145 HydrophobicContact CG1-CB 4.49Å; V131-F145 HydrophobicContact CG2-CB 4.11Å; V133-F145 HydrophobicContact CG1-CE1 4.31Å; V133-F145 HydrophobicContact CG1-CE2 4.14Å; V133-F145 HydrophobicContact CG1-CZ 3.96Å; V133-F145 HydrophobicContact CG2-CD2 4.05Å; V133-F145 HydrophobicContact CG2-CE2 4.27Å; V133-F145 HydrophobicContact CG2-CG 4.37Å; P142-F145 VanDerWaalsContact O-CE1 3.22Å; P142-F145 WeakPolarHBondContact O-CE1 2.95Å; E143-F145 PolarHBondContact O-N 3.02Å; F145-K148 PolarHBondContact O-N 2.96Å; F145-I149 HydrophobicContact CD2-CD1 4.25Å; F145-I149 VanDerWaalsContact O-CG1 3.3Å; F145-I149 WeakPolarHBondContact O-CG1 3.37Å; F145-I149 PolarHBondContact O-N 3.02Å; F145-L197 HydrophobicContact CD2-CD2 4.24Å; F145-L197 HydrophobicContact CE2-CD2 3.83Å; F145-I200 HydrophobicContact CE2-CD1 3.76Å; F145-I200 HydrophobicContact CZ-CD1 3.81Å
146Y96.8Very high94.5Very high2 Ų265 Ų651%0.00835%0.349CS..Hα-helixtrans-64.4-46.4179.1-177.5-95.1000111.4E143 S144 K148 I149 C150 L197 I200 I201 V214E143-Y146 WeakPolarHBondContact O-CB 3.47Å; E143-Y146 PolarHBondContact O-N 3.33Å; S144-Y146 VanDerWaalsContact C-N 3.29Å; Y146-K148 PolarHBondContact O-N 2.95Å; Y146-I149 WeakPolarHBondContact O-CB 3.41Å; Y146-I149 PolarHBondContact O-N 3.36Å; Y146-I149 VanDerWaalsContact O-N 3.13Å; Y146-C150 WeakPolarHBondContact CE1-SG 3.47Å; Y146-C150 PolarHBondContact O-N 3.46Å; Y146-C150 PolarHBondContact O-SG 3.12Å; Y146-C150 VanDerWaalsContact O-SG 3.35Å; Y146-L197 HydrophobicContact CD2-CD2 3.9Å; Y146-I200 HydrophobicContact CD1-CG2 3.94Å; Y146-I200 HydrophobicContact CD2-CB 4.33Å; Y146-I200 HydrophobicContact CD2-CD1 4.5Å; Y146-I200 HydrophobicContact CD2-CG2 3.75Å; Y146-I200 HydrophobicContact CE1-CG2 4.22Å; Y146-I200 HydrophobicContact CE2-CG2 4.06Å; Y146-I200 HydrophobicContact CG-CG2 3.69Å; Y146-I201 HydrophobicContact CE2-CG1 3.86Å; Y146-V214 HydrophobicContact CE2-CB 4.13Å; Y146-V214 HydrophobicContact CE2-CG2 4.42Å
147D95Very high94.7Very high65 Ų6565.6 Ų65.635%0.34836%0.355SS..Hα-helixtrans-61.9-34.2178.8-62.1-35.4000111.9K151 R204D147-K151 VanDerWaalsContact O-CG 3.25Å; D147-K151 WeakPolarHBondContact O-CG 3.19Å; D147-K151 PolarHBondContact O-N 3.19Å; D147-R204 IonicContact OD1-CZ 2.78Å; D147-R204 VanDerWaalsContact OD1-CZ 3.27Å; D147-R204 IonicContact OD1-NH1 2.67Å; D147-R204 PolarHBondContact OD1-NH1 3.24Å; D147-R204 IonicContact OD1-NH2 2.76Å; D147-R204 PolarHBondContact OD1-NH2 3.43Å; D147-R204 IonicContact OD2-NH2 3.13Å
148K97.4Very high95.2Very high73 Ų7362.2 Ų62.232%0.31733%0.334SS..Hα-helixtrans-69.6-42175.2-68.6179176.1-162.70112.1E129 V131 F145 Y146 C150 K151 N152E129-K148 WeakPolarHBondContact OE1-CD 3.37Å; E129-K148 WeakPolarHBondContact OE1-CE 3.34Å; E129-K148 IonicContact OE1-NZ 2.77Å; E129-K148 PolarHBondContact OE1-NZ 2.84Å; V131-K148 HydrophobicContact CG1-CB 3.6Å; V131-K148 HydrophobicContact CG1-CD 3.95Å; V131-K148 HydrophobicContact CG1-CG 4.46Å; F145-K148 PolarHBondContact O-N 2.96Å; Y146-K148 PolarHBondContact O-N 2.95Å; K148-C150 VanDerWaalsContact C-N 3.32Å; K148-C150 PolarHBondContact O-N 3.33Å; K148-K151 PolarHBondContact O-N 3.35Å; K148-N152 PolarHBondContact O-N 2.83Å
149I98Very high95.8Very high0 Ų053.1 Ų53.10%029%0.292CS..Hα-helixtrans-57.5-47.9172.6-67.8160.9000110V131 F145 Y146 K151 N152 R153 T159 L197 V214 V255V131-I149 HydrophobicContact CG2-CD1 4.22Å; V131-I149 HydrophobicContact CG2-CG1 4.09Å; F145-I149 HydrophobicContact CD2-CD1 4.25Å; F145-I149 VanDerWaalsContact O-CG1 3.3Å; F145-I149 WeakPolarHBondContact O-CG1 3.37Å; F145-I149 PolarHBondContact O-N 3.02Å; Y146-I149 WeakPolarHBondContact O-CB 3.41Å; Y146-I149 PolarHBondContact O-N 3.36Å; Y146-I149 VanDerWaalsContact O-N 3.13Å; I149-K151 PolarHBondContact O-N 2.78Å; I149-N152 PolarHBondContact O-N 3.33Å; I149-R153 WeakPolarHBondContact O-CB 3.24Å; I149-R153 PolarHBondContact O-N 3.45Å; I149-T159 HydrophobicContact CG1-CG2 3.72Å; I149-L197 HydrophobicContact CD1-CD2 3.94Å; I149-V214 HydrophobicContact CG2-CG2 3.67Å; I149-V255 HydrophobicContact CD1-CG2 4.42Å; I149-V255 HydrophobicContact CG2-CB 3.91Å; I149-V255 HydrophobicContact CG2-CG1 3.72Å; I149-V255 HydrophobicContact CG2-CG2 4.08Å
150C96.3Very high96.2Very high23 Ų2346.9 Ų46.916%0.15525%0.253CS..Hα-helixtrans-59.9-43.5177.6-67.90000112.1Y146 K148 R153 A154Y146-C150 WeakPolarHBondContact CE1-SG 3.47Å; Y146-C150 PolarHBondContact O-N 3.46Å; Y146-C150 PolarHBondContact O-SG 3.12Å; Y146-C150 VanDerWaalsContact O-SG 3.35Å; K148-C150 VanDerWaalsContact C-N 3.32Å; K148-C150 PolarHBondContact O-N 3.33Å; C150-R153 PolarHBondContact O-N 2.99Å; C150-A154 WeakPolarHBondContact O-CB 3.45Å; C150-A154 PolarHBondContact O-N 3.14Å
151K96.6Very high96.5Very high142 Ų14240 Ų4062%0.61723%0.227SC*.Hα-helixtrans-61.2-47.7176.3-76.1170.1-175.1176.30112.6D147 K148 I149 R153 A154 A155D147-K151 VanDerWaalsContact O-CG 3.25Å; D147-K151 WeakPolarHBondContact O-CG 3.19Å; D147-K151 PolarHBondContact O-N 3.19Å; K148-K151 PolarHBondContact O-N 3.35Å; I149-K151 PolarHBondContact O-N 2.78Å; K151-R153 VanDerWaalsContact C-N 3.34Å; K151-R153 PolarHBondContact O-N 2.89Å; K151-A154 PolarHBondContact O-N 3.27Å; K151-A155 PolarHBondContact O-N 2.88Å; K151-A155 VanDerWaalsContact O-N 3.09Å
152N97.9Very high96.7Very high13 Ų1336.4 Ų36.47%0.0721%0.213CC..Hα-helixtrans-59.2-47.4175.9-78.8-19000110.8E129 K148 I149 A154 A155 G156 L157 T159E129-N152 PolarHBondContact N-ND2 2.89Å; E129-N152 VanDerWaalsContact N-ND2 3.18Å; E129-N152 PolarHBondContact N-OD1 3.02Å; E129-N152 PolarHBondContact O-ND2 2.78Å; K148-N152 PolarHBondContact O-N 2.83Å; I149-N152 PolarHBondContact O-N 3.33Å; N152-A154 PolarHBondContact O-N 2.93Å; N152-A155 CarbonylContact O-C 3.4Å; N152-A155 WeakPolarHBondContact O-CA 3.35Å; N152-A155 WeakPolarHBondContact O-CB 3.39Å; N152-A155 PolarHBondContact O-N 3.33Å; N152-G156 PolarHBondContact O-N 2.8Å; N152-G156 VanDerWaalsContact O-N 3.09Å; N152-L157 CarbonylContact C-O 3.54Å; N152-L157 VanDerWaalsContact C-O 3.29Å; N152-L157 HydrophobicContact CB-CB 4.2Å; N152-L157 WeakPolarHBondContact CB-O 3.33Å; N152-L157 PolarHBondContact O-N 3.38Å; N152-T159 VanDerWaalsContact CB-OG1 3.24Å; N152-T159 WeakPolarHBondContact CB-OG1 3.47Å; N152-T159 PolarHBondContact ND2-OG1 3.16Å
153R96.3Very high96.8Very high38 Ų3835.9 Ų35.914%0.14321%0.209CC..Hα-helixtrans-64.1-40-178.4-174.4160.1165.874.910.5112.6I149 C150 K151 A155 G156 G213 T256 A257 S289I149-R153 WeakPolarHBondContact O-CB 3.24Å; I149-R153 PolarHBondContact O-N 3.45Å; C150-R153 PolarHBondContact O-N 2.99Å; K151-R153 VanDerWaalsContact C-N 3.34Å; K151-R153 PolarHBondContact O-N 2.89Å; R153-A155 PolarHBondContact O-N 3.33Å; R153-G156 PolarHBondContact O-N 3.33Å; R153-G213 WeakPolarHBondContact CD-O 3.27Å; R153-G213 PolarHBondContact NE-O 2.87Å; R153-T256 PolarHBondContact NH1-O 3.47Å; R153-A257 HydrophobicContact CG-CB 4.36Å; R153-A257 VanDerWaalsContact NH1-CA 3.3Å; R153-A257 PolarHBondContact NH1-O 3.19Å; R153-S289 PolarHBondContact NH2-O 2.76Å; R153-S289 PolarHBondContact NH2-OG 3.43Å
154A95.1Very high96.9Very high83 Ų8335.5 Ų35.569%0.68621%0.208SC*.Hα-helixtrans-60.5-34.6171.800000112.3C150 K151 N152 G156C150-A154 WeakPolarHBondContact O-CB 3.45Å; C150-A154 PolarHBondContact O-N 3.14Å; K151-A154 PolarHBondContact O-N 3.27Å; N152-A154 PolarHBondContact O-N 2.93Å; A154-G156 VanDerWaalsContact C-N 3.27Å; A154-G156 PolarHBondContact O-N 2.75Å
155A96.1Very high96.7Very high69 Ų6932.8 Ų32.857%0.5719%0.187SC*.THydrogen-bonded Turntrans-79.7-1.4173.800000114.1K151 N152 R153 L157K151-A155 PolarHBondContact O-N 2.88Å; K151-A155 VanDerWaalsContact O-N 3.09Å; N152-A155 CarbonylContact O-C 3.4Å; N152-A155 WeakPolarHBondContact O-CA 3.35Å; N152-A155 WeakPolarHBondContact O-CB 3.39Å; N152-A155 PolarHBondContact O-N 3.33Å; R153-A155 PolarHBondContact O-N 3.33Å; A155-L157 VanDerWaalsContact C-N 3.34Å; A155-L157 HydrophobicContact CB-CD1 4.13Å; A155-L157 HydrophobicContact CB-CG 4.25Å
156G96Very high96.2Very high12 Ų1234.8 Ų34.812%0.12420%0.195CC..THydrogen-bonded Turntrans78.115.4-176.700000114.5N152 R153 A154 A257N152-G156 PolarHBondContact O-N 2.8Å; N152-G156 VanDerWaalsContact O-N 3.09Å; R153-G156 PolarHBondContact O-N 3.33Å; A154-G156 VanDerWaalsContact C-N 3.27Å; A154-G156 PolarHBondContact O-N 2.75Å; G156-A257 VanDerWaalsContact C-CB 3.4Å
157L98.1Very high95.4Very high54 Ų5437 Ų3728%0.28321%0.206SC..  trans-103.3134.7-176.3-60.2171.7000111.9N126 N152 A155 A257N126-L157 CarbonylContact O-C 3.59Å; N126-L157 VanDerWaalsContact O-CA 3.25Å; N126-L157 WeakPolarHBondContact O-CA 3.47Å; N152-L157 CarbonylContact C-O 3.54Å; N152-L157 VanDerWaalsContact C-O 3.29Å; N152-L157 HydrophobicContact CB-CB 4.2Å; N152-L157 WeakPolarHBondContact CB-O 3.33Å; N152-L157 PolarHBondContact O-N 3.38Å; A155-L157 VanDerWaalsContact C-N 3.34Å; A155-L157 HydrophobicContact CB-CD1 4.13Å; A155-L157 HydrophobicContact CB-CG 4.25Å; L157-A257 VanDerWaalsContact O-CB 3.24Å; L157-A257 WeakPolarHBondContact O-CB 3.27Å
158H98.6Very high94.3Very high0 Ų039.1 Ų39.10%021%0.212CC..BIsolated β-bridgetrans-65.5151.9171-53.7-35.4000111N126 F127 G128 V254 V255 A257 R258 E263N126-H158 PolarHBondContact O-N 3.43Å; F127-H158 WeakPolarHBondContact CA-O 3.45Å; F127-H158 HydrophobicContact CD1-CB 3.97Å; F127-H158 HydrophobicContact CD2-CB 4.28Å; F127-H158 HydrophobicContact CE1-CB 4.02Å; F127-H158 HydrophobicContact CE2-CB 4.33Å; F127-H158 HydrophobicContact CG-CB 4.11Å; F127-H158 HydrophobicContact CZ-CB 4.21Å; G128-H158 PolarHBondContact N-O 3.45Å; H158-V254 HydrophobicContact CB-CG1 4.29Å; H158-V255 WeakPolarHBondContact CA-O 3.45Å; H158-A257 PolarHBondContact ND1-N 3.03Å; H158-R258 PolarHBondContact CE1-O 3.06Å; H158-R258 VanDerWaalsContact CE1-O 3.23Å; H158-E263 IonicContact NE2-OE1 2.68Å; H158-E263 PolarHBondContact NE2-OE1 3.1Å; H158-E263 IonicContact NE2-OE2 2.63Å
159T98.8Very high93.1Very high1 Ų138.8 Ų38.81%0.00621%0.212CC..EExtended strand (participates in β ladder)trans-117.7118.8176.1-53.30000110V131 I149 N152 V254 V255V131-T159 HydrophobicContact CB-CG2 4.48Å; V131-T159 HydrophobicContact CG1-CG2 3.95Å; V131-T159 HydrophobicContact CG2-CG2 3.84Å; I149-T159 HydrophobicContact CG1-CG2 3.72Å; N152-T159 VanDerWaalsContact CB-OG1 3.24Å; N152-T159 WeakPolarHBondContact CB-OG1 3.47Å; N152-T159 PolarHBondContact ND2-OG1 3.16Å; T159-V254 VanDerWaalsContact O-CA 3.29Å; T159-V254 WeakPolarHBondContact O-CA 3.48Å; T159-V255 PolarHBondContact N-O 3.35Å; T159-V255 PolarHBondContact O-N 3.25Å
160L98.8Very high91.6Very high3 Ų341.5 Ų41.52%0.01623%0.225CC..EExtended strand (participates in β ladder)trans-77.9120.3163.7173.458.9000108.4I113 M114 V117 F127 T130 V131 L162 V254I113-L160 HydrophobicContact CG1-CD2 4.4Å; M114-L160 HydrophobicContact SD-CD2 3.76Å; V117-L160 HydrophobicContact CG1-CD2 4.42Å; V117-L160 HydrophobicContact CG2-CD1 4.13Å; F127-L160 HydrophobicContact CD1-CB 3.99Å; F127-L160 HydrophobicContact CE1-CB 4.1Å; T130-L160 WeakPolarHBondContact CA-O 3.41Å; T130-L160 HydrophobicContact CG2-CB 4.31Å; T130-L160 HydrophobicContact CG2-CD2 4.37Å; T130-L160 HydrophobicContact CG2-CG 4.18Å; T130-L160 WeakPolarHBondContact CG2-O 3.42Å; V131-L160 PolarHBondContact N-O 3.48Å; L160-L162 HydrophobicContact CD1-CD2 4.45Å; L160-L162 HydrophobicContact CD2-CD2 4.16Å; L160-L162 HydrophobicContact CG-CD2 4.16Å; L160-V254 HydrophobicContact CD1-CG2 4.2Å
161C98.7Very high90.6Very high0 Ų041.7 Ų41.70%023%0.226CC..EExtended strand (participates in β ladder)trans-103.5107.1174.6-57.10000108.6V131 V133 L163 L253V131-C161 HydrophobicContact CG2-CB 3.99Å; V131-C161 VanDerWaalsContact CG2-SG 3.51Å; V131-C161 WeakPolarHBondContact O-CA 3.31Å; V133-C161 HydrophobicContact CG2-CB 3.98Å; C161-L163 HydrophobicContact CB-CD2 4.49Å; C161-L253 WeakPolarHBondContact CA-O 3.24Å; C161-L253 HydrophobicContact CB-CB 4.03Å; C161-L253 HydrophobicContact CB-CG 4.46Å; C161-L253 VanDerWaalsContact CB-O 3.26Å; C161-L253 WeakPolarHBondContact CB-O 3.2Å; C161-L253 PolarHBondContact N-O 2.98Å; C161-L253 PolarHBondContact O-N 3.44Å
162L97.8Very high89.5Confident34 Ų3440.5 Ų40.518%0.17823%0.225CC..EExtended strand (participates in β ladder)trans-72.9136.9167.8-56.9-180000108.7A88 I113 T130 V131 S132 V133 L160A88-L162 HydrophobicContact CB-CD1 3.65Å; I113-L162 HydrophobicContact CG1-CD2 4.34Å; I113-L162 HydrophobicContact CG2-CD2 3.85Å; T130-L162 HydrophobicContact CG2-CD1 3.91Å; T130-L162 HydrophobicContact CG2-CG 3.78Å; V131-L162 PolarHBondContact O-N 3.42Å; S132-L162 CarbonylContact C-O 3.5Å; S132-L162 WeakPolarHBondContact CA-O 3.26Å; V133-L162 PolarHBondContact N-O 2.93Å; L160-L162 HydrophobicContact CD1-CD2 4.45Å; L160-L162 HydrophobicContact CD2-CD2 4.16Å; L160-L162 HydrophobicContact CG-CD2 4.16Å
163L97.4Very high88.5Confident17 Ų1744.8 Ų44.89%0.08925%0.245CC..EExtended strand (participates in β ladder)trans-105.2142.6-174.7-55.4-172.7000110.7V133 C161 M188 V190 A193 H251 L253V133-L163 HydrophobicContact CB-CD2 3.91Å; V133-L163 HydrophobicContact CG2-CD2 4.1Å; C161-L163 HydrophobicContact CB-CD2 4.49Å; L163-M188 HydrophobicContact CB-CB 3.95Å; L163-M188 HydrophobicContact CB-CG 4.07Å; L163-M188 HydrophobicContact CB-SD 4.22Å; L163-M188 HydrophobicContact CD1-CG 4.44Å; L163-M188 HydrophobicContact CD2-SD 4.15Å; L163-V190 HydrophobicContact CD1-CG2 4.24Å; L163-A193 HydrophobicContact CD1-CB 4.06Å; L163-A193 HydrophobicContact CD2-CB 3.49Å; L163-A193 VanDerWaalsContact CD2-CB 3.49Å; L163-A193 HydrophobicContact CG-CB 4.42Å; L163-H251 HydrophobicContact CD1-CB 3.8Å; L163-L253 HydrophobicContact CD2-CB 4.29Å
164D94.3Very high87.8Confident28 Ų2844.2 Ų44.215%0.1525%0.245CC..  trans-57.9145.3-171.6-149.8-2.7000113.8V133 V134 F135 K166 M188V133-D164 WeakPolarHBondContact O-CB 3.48Å; V133-D164 PolarHBondContact O-N 2.92Å; V134-D164 WeakPolarHBondContact CA-OD2 3.5Å; F135-D164 HydrophobicContact CD2-CB 3.66Å; F135-D164 HydrophobicContact CE2-CB 4.07Å; F135-D164 HydrophobicContact CG-CB 4.4Å; F135-D164 PolarHBondContact N-OD2 2.83Å; D164-K166 WeakPolarHBondContact OD2-CE 3.43Å; D164-K166 IonicContact OD2-NZ 2.75Å; D164-M188 HydrophobicContact CB-CB 4.23Å; D164-M188 HydrophobicContact CB-CE 4.17Å; D164-M188 WeakPolarHBondContact O-CB 3.39Å; D164-M188 PolarHBondContact O-N 2.66Å
165I90.6Very high86.9Confident26 Ų2645.9 Ų45.913%0.13324%0.24CC..EExtended strand (participates in β ladder)trans-129117.5176.4-59177.4000107.4M167 F187 L250I165-M167 HydrophobicContact CG2-CG 3.73Å; I165-F187 HydrophobicContact CB-CD1 4.33Å; I165-F187 HydrophobicContact CG1-CD1 4.05Å; I165-F187 HydrophobicContact CG2-CD1 3.74Å; I165-F187 HydrophobicContact CG2-CE1 3.56Å; I165-L250 HydrophobicContact CD1-CD1 4.03Å; I165-L250 HydrophobicContact CD1-CD2 3.53Å; I165-L250 HydrophobicContact CD1-CG 4.47Å; I165-L250 HydrophobicContact CG1-CD2 4Å
166K86Confident86Confident47 Ų4750 Ų5020%0.20425%0.249CC..EExtended strand (participates in β ladder)trans-105.1101.3175.3-54.5-53-146.2161.10109.1F135 D164 E169 P185 R186F135-K166 HydrophobicContact CD2-CD 4.26Å; F135-K166 HydrophobicContact CD2-CG 3.65Å; F135-K166 HydrophobicContact CE2-CG 3.95Å; D164-K166 WeakPolarHBondContact OD2-CE 3.43Å; D164-K166 IonicContact OD2-NZ 2.75Å; K166-E169 HydrophobicContact CB-CG 4.13Å; K166-E169 WeakPolarHBondContact CB-OE2 3.5Å; K166-E169 VanDerWaalsContact CD-CD 3.43Å; K166-E169 HydrophobicContact CD-CG 4.44Å; K166-E169 VanDerWaalsContact CD-OE1 3.25Å; K166-E169 WeakPolarHBondContact CD-OE1 3.33Å; K166-E169 WeakPolarHBondContact CD-OE2 3.07Å; K166-E169 WeakPolarHBondContact CE-OE1 3.34Å; K166-E169 WeakPolarHBondContact CE-OE2 3.05Å; K166-E169 WeakPolarHBondContact CG-OE2 3.47Å; K166-E169 IonicContact NZ-OE1 2.96Å; K166-E169 PolarHBondContact NZ-OE1 3.48Å; K166-E169 IonicContact NZ-OE2 3.88Å; K166-P185 VanDerWaalsContact O-CA 3.28Å; K166-P185 WeakPolarHBondContact O-CA 3.4Å; K166-R186 HydrophobicContact CB-CB 4.16Å; K166-R186 PolarHBondContact N-O 2.96Å; K166-R186 PolarHBondContact O-N 3.32Å
167M78.9Confident85.4Confident49 Ų4956.8 Ų56.824%0.24127%0.271CS..  trans-108.6131174.8-69.7-67.9-74.600109.3A33 I37 I165 E169 P185 F187A33-M167 WeakPolarHBondContact O-CE 3.41Å; I37-M167 HydrophobicContact CG2-CE 4.36Å; I37-M167 HydrophobicContact CG2-SD 4.38Å; I165-M167 HydrophobicContact CG2-CG 3.73Å; M167-E169 VanDerWaalsContact C-N 3.32Å; M167-E169 PolarHBondContact O-N 3.15Å; M167-P185 HydrophobicContact CE-CG 4.28Å; M167-P185 HydrophobicContact SD-CB 3.56Å; M167-P185 VanDerWaalsContact SD-CB 3.56Å; M167-P185 HydrophobicContact SD-CG 3.71Å; M167-F187 HydrophobicContact SD-CE1 4.24Å; M167-F187 HydrophobicContact SD-CZ 3.87Å
168K71.9Confident84.5Confident109 Ų10957.3 Ų57.347%0.47429%0.29SS..SBendtrans49.546.8177.8-59.5-172.7-177.4-175.70113.5D57 Y182D57-K168 HydrophobicContact CB-CD 4.29Å; D57-K168 IonicContact OD2-NZ 3.81Å; D57-K168 PolarHBondContact OD2-NZ 2.95Å; K168-Y182 HydrophobicContact CB-CD1 3.84Å; K168-Y182 HydrophobicContact CB-CE1 4.25Å; K168-Y182 HydrophobicContact CB-CG 4.19Å; K168-Y182 WeakPolarHBondContact O-CD1 3.41Å; K168-Y182 WeakPolarHBondContact O-CE1 3.41Å
169E72.3Confident83.5Confident67 Ų6762.1 Ų62.131%0.31331%0.311SS..PPolyproline II helixtrans-79141.7171-74.4-165.8143.200110.5K166 M167 Y182 E183K166-E169 HydrophobicContact CB-CG 4.13Å; K166-E169 WeakPolarHBondContact CB-OE2 3.5Å; K166-E169 VanDerWaalsContact CD-CD 3.43Å; K166-E169 HydrophobicContact CD-CG 4.44Å; K166-E169 VanDerWaalsContact CD-OE1 3.25Å; K166-E169 WeakPolarHBondContact CD-OE1 3.33Å; K166-E169 WeakPolarHBondContact CD-OE2 3.07Å; K166-E169 WeakPolarHBondContact CE-OE1 3.34Å; K166-E169 WeakPolarHBondContact CE-OE2 3.05Å; K166-E169 WeakPolarHBondContact CG-OE2 3.47Å; K166-E169 IonicContact NZ-OE1 2.96Å; K166-E169 PolarHBondContact NZ-OE1 3.48Å; K166-E169 IonicContact NZ-OE2 3.88Å; M167-E169 VanDerWaalsContact C-N 3.32Å; M167-E169 PolarHBondContact O-N 3.15Å; E169-Y182 CarbonylContact O-C 3.59Å; E169-Y182 WeakPolarHBondContact O-CA 3.33Å; E169-E183 PolarHBondContact O-N 3.18Å
170Q67.9Low82.4Confident57 Ų5770.2 Ų70.227%0.26635%0.346SS..BIsolated β-bridgetrans-92.6141167.3-65.5-179.83.100108.5N174 M175 Y182Q170-N174 HydrophobicContact CB-CB 4.44Å; Q170-M175 HydrophobicContact CB-CB 4.36Å; Q170-Y182 HydrophobicContact CG-CD1 3.64Å; Q170-Y182 HydrophobicContact CG-CE1 3.67Å
171S73.8Confident81.5Confident27 Ų2774.5 Ų74.519%0.18937%0.368CS..PPolyproline II helixtrans-60.2150166.773.20000109.9E173 N174 M175S171-E173 PolarHBondContact O-N 2.82Å; S171-E173 VanDerWaalsContact O-N 3.14Å; S171-N174 PolarHBondContact O-N 2.96Å; S171-N174 WeakPolarHBondContact OG-CB 3.08Å; S171-N174 VanDerWaalsContact OG-CG 3.3Å; S171-N174 PolarHBondContact OG-N 3.29Å; S171-N174 VanDerWaalsContact OG-N 3.17Å; S171-N174 PolarHBondContact OG-ND2 2.79Å; S171-N174 VanDerWaalsContact OG-ND2 3.11Å; S171-M175 PolarHBondContact O-N 3.44Å
172I74.5Confident80.6Confident117 Ų11779 Ų7960%0.639%0.385SS*.Hα-helixtrans-52.3-39.7177.7-62.7173.7000110.4M175 M176I172-M175 PolarHBondContact O-N 2.79Å; I172-M176 HydrophobicContact CG2-CE 3.81Å; I172-M176 HydrophobicContact CG2-CG 4.37Å; I172-M176 HydrophobicContact CG2-SD 4.06Å; I172-M176 WeakPolarHBondContact O-CB 3.34Å; I172-M176 VanDerWaalsContact O-CG 3.27Å; I172-M176 WeakPolarHBondContact O-CG 3.44Å; I172-M176 PolarHBondContact O-N 3.33Å
173E77.1Confident79.7Confident103 Ų10381.3 Ų81.348%0.48140%0.395SS..Hα-helixtrans-63-46.2176.9-172.2-173.8169.100112.7S171 M176 R177S171-E173 PolarHBondContact O-N 2.82Å; S171-E173 VanDerWaalsContact O-N 3.14Å; E173-M176 PolarHBondContact O-N 3.34Å; E173-R177 WeakPolarHBondContact O-CB 3.47Å; E173-R177 VanDerWaalsContact O-CG 3.29Å; E173-R177 WeakPolarHBondContact O-CG 3.43Å; E173-R177 PolarHBondContact O-N 3.23Å; E173-R177 IonicContact OE1-CZ 3.4Å; E173-R177 IonicContact OE1-NE 2.78Å; E173-R177 IonicContact OE1-NH1 3.61Å; E173-R177 PolarHBondContact OE1-NH1 2.79Å; E173-R177 IonicContact OE1-NH2 3.1Å; E173-R177 PolarHBondContact OE1-NH2 3.49Å
174N80.4Confident79Confident26 Ų2685.4 Ų85.414%0.13942%0.423CS..Hα-helixtrans-66-40.6179.2-76.9-31000111.4Q170 S171 R177 G178 K179 I181Q170-N174 HydrophobicContact CB-CB 4.44Å; S171-N174 PolarHBondContact O-N 2.96Å; S171-N174 WeakPolarHBondContact OG-CB 3.08Å; S171-N174 VanDerWaalsContact OG-CG 3.3Å; S171-N174 PolarHBondContact OG-N 3.29Å; S171-N174 VanDerWaalsContact OG-N 3.17Å; S171-N174 PolarHBondContact OG-ND2 2.79Å; S171-N174 VanDerWaalsContact OG-ND2 3.11Å; N174-R177 CarbonylContact O-C 2.88Å; N174-R177 PolarHBondContact O-N 3.11Å; N174-G178 PolarHBondContact O-N 2.85Å; N174-K179 HydrophobicContact CB-CB 4.37Å; N174-K179 PolarHBondContact O-N 3.05Å; N174-I181 PolarHBondContact ND2-O 2.76Å
175M77.6Confident78.7Confident117 Ų11787.4 Ų87.458%0.57644%0.437SS*.Hα-helixtrans-62.5-48.5175.4-174.4175.66300111.4Q170 S171 I172 R177 G178Q170-M175 HydrophobicContact CB-CB 4.36Å; S171-M175 PolarHBondContact O-N 3.44Å; I172-M175 PolarHBondContact O-N 2.79Å; M175-R177 PolarHBondContact O-N 3.03Å; M175-G178 PolarHBondContact O-N 2.91Å
176M77.3Confident78.7Confident156 Ų15691.6 Ų91.677%0.76845%0.451SS*.Hα-helixtrans-60.4-29.7176.3-76.2-178.1171.700112.9I172 E173I172-M176 HydrophobicContact CG2-CE 3.81Å; I172-M176 HydrophobicContact CG2-CG 4.37Å; I172-M176 HydrophobicContact CG2-SD 4.06Å; I172-M176 WeakPolarHBondContact O-CB 3.34Å; I172-M176 VanDerWaalsContact O-CG 3.27Å; I172-M176 WeakPolarHBondContact O-CG 3.44Å; I172-M176 PolarHBondContact O-N 3.33Å; E173-M176 PolarHBondContact O-N 3.34Å
177R83.1Confident79.1Confident154 Ų15491.4 Ų91.458%0.58145%0.451SS*.THydrogen-bonded Turntrans-91.22.2178.1-69177.5174.61790.8113.8E173 N174 M175 K179E173-R177 WeakPolarHBondContact O-CB 3.47Å; E173-R177 VanDerWaalsContact O-CG 3.29Å; E173-R177 WeakPolarHBondContact O-CG 3.43Å; E173-R177 PolarHBondContact O-N 3.23Å; E173-R177 IonicContact OE1-CZ 3.4Å; E173-R177 IonicContact OE1-NE 2.78Å; E173-R177 IonicContact OE1-NH1 3.61Å; E173-R177 PolarHBondContact OE1-NH1 2.79Å; E173-R177 IonicContact OE1-NH2 3.1Å; E173-R177 PolarHBondContact OE1-NH2 3.49Å; N174-R177 CarbonylContact O-C 2.88Å; N174-R177 PolarHBondContact O-N 3.11Å; M175-R177 PolarHBondContact O-N 3.03Å; R177-K179 HydrophobicContact CB-CD 4.45Å; R177-K179 HydrophobicContact CB-CG 4.2Å; R177-K179 PolarHBondContact O-N 3.02Å
178G78.9Confident79.9Confident66 Ų6689.2 Ų89.268%0.6844%0.44SS*.THydrogen-bonded Turntrans62.819.9-176.800000114.2N174 M175N174-G178 PolarHBondContact O-N 2.85Å; M175-G178 PolarHBondContact O-N 2.91Å
179K77.1Confident81.2Confident101 Ų10186.2 Ų86.244%0.43943%0.431SS..  trans-88.7120.6179.9-70.4-174.8178.9-179.60109.6N174 R177 I181N174-K179 HydrophobicContact CB-CB 4.37Å; N174-K179 PolarHBondContact O-N 3.05Å; R177-K179 HydrophobicContact CB-CD 4.45Å; R177-K179 HydrophobicContact CB-CG 4.2Å; R177-K179 PolarHBondContact O-N 3.02Å; K179-I181 HydrophobicContact CB-CD1 4.19Å; K179-I181 HydrophobicContact CB-CG1 4.25Å; K179-I181 HydrophobicContact CD-CD1 4.11Å; K179-I181 PolarHBondContact O-N 3.31Å
180K76.6Confident82.5Confident171 Ų17183 Ų8374%0.74342%0.416SS*.  trans-77.257.9174.2-61.7-171.3178.6-170.90112.1Y182K180-Y182 HydrophobicContact CB-CE2 4.16Å
181I78.5Confident83.9Confident92 Ų9281.8 Ų81.847%0.47241%0.414SS..  trans-106.9117.6175.7-61.4172.3000107.4N174 K179N174-I181 PolarHBondContact ND2-O 2.76Å; K179-I181 HydrophobicContact CB-CD1 4.19Å; K179-I181 HydrophobicContact CB-CG1 4.25Å; K179-I181 HydrophobicContact CD-CD1 4.11Å; K179-I181 PolarHBondContact O-N 3.31Å
182Y79.6Confident85.1Confident95 Ų9584.2 Ų84.237%0.37342%0.422SS..BIsolated β-bridgetrans-102.8140.9-174.8-59-77000111K168 E169 Q170 K180K168-Y182 HydrophobicContact CB-CD1 3.84Å; K168-Y182 HydrophobicContact CB-CE1 4.25Å; K168-Y182 HydrophobicContact CB-CG 4.19Å; K168-Y182 WeakPolarHBondContact O-CD1 3.41Å; K168-Y182 WeakPolarHBondContact O-CE1 3.41Å; E169-Y182 CarbonylContact O-C 3.59Å; E169-Y182 WeakPolarHBondContact O-CA 3.33Å; Q170-Y182 HydrophobicContact CG-CD1 3.64Å; Q170-Y182 HydrophobicContact CG-CE1 3.67Å; K180-Y182 HydrophobicContact CB-CE2 4.16Å
183E79.4Confident86.2Confident82 Ų8278.7 Ų78.738%0.38339%0.394SS..PPolyproline II helixtrans-74.1154.7173.7-66-165.1152.800111.1E169E169-E183 PolarHBondContact O-N 3.18Å
184P83.5Confident87.2Confident103 Ų10373.8 Ų73.867%0.66937%0.371SS*.PPolyproline II helixtrans-60.2148.3173.926.3-34.9000110.8R186P184-R186 PolarHBondContact O-N 3.39Å
185P87Confident88.1Confident70 Ų7076 Ų7646%0.45538%0.382SS..PPolyproline II helixtrans-52136.5175.7-3138.1000113.5K166 M167 F187K166-P185 VanDerWaalsContact O-CA 3.28Å; K166-P185 WeakPolarHBondContact O-CA 3.4Å; M167-P185 HydrophobicContact CE-CG 4.28Å; M167-P185 HydrophobicContact SD-CB 3.56Å; M167-P185 VanDerWaalsContact SD-CB 3.56Å; M167-P185 HydrophobicContact SD-CG 3.71Å; P185-F187 HydrophobicContact CB-CE2 3.64Å; P185-F187 HydrophobicContact CB-CZ 3.79Å
186R90.8Very high89.1Confident114 Ų11471 Ų7143%0.4336%0.358SS..EExtended strand (participates in β ladder)trans-122.9134.2173.1-65.1171.954.6-168.2-5.7110F135 K166 P184F135-R186 HydrophobicContact CE2-CB 4.22Å; F135-R186 HydrophobicContact CZ-CB 4.35Å; K166-R186 HydrophobicContact CB-CB 4.16Å; K166-R186 PolarHBondContact N-O 2.96Å; K166-R186 PolarHBondContact O-N 3.32Å; P184-R186 PolarHBondContact O-N 3.39Å
187F94.3Very high90Very high43 Ų4363.7 Ų63.719%0.18932%0.322CS..EExtended strand (participates in β ladder)trans-123.1124.3179.6-55.2-83.2000108.1I37 I165 M167 P185 T189 P249 L250I37-F187 HydrophobicContact CD1-CE1 3.89Å; I37-F187 HydrophobicContact CD1-CE2 4.21Å; I37-F187 HydrophobicContact CD1-CZ 3.72Å; I37-F187 HydrophobicContact CG1-CE1 4.06Å; I37-F187 HydrophobicContact CG1-CZ 4.28Å; I37-F187 HydrophobicContact CG2-CE1 3.8Å; I37-F187 HydrophobicContact CG2-CZ 3.75Å; I165-F187 HydrophobicContact CB-CD1 4.33Å; I165-F187 HydrophobicContact CG1-CD1 4.05Å; I165-F187 HydrophobicContact CG2-CD1 3.74Å; I165-F187 HydrophobicContact CG2-CE1 3.56Å; M167-F187 HydrophobicContact SD-CE1 4.24Å; M167-F187 HydrophobicContact SD-CZ 3.87Å; P185-F187 HydrophobicContact CB-CE2 3.64Å; P185-F187 HydrophobicContact CB-CZ 3.79Å; F187-T189 PolarHBondContact O-N 3.07Å; F187-P249 HydrophobicContact CB-CB 3.63Å; F187-P249 HydrophobicContact CB-CG 4.29Å; F187-P249 HydrophobicContact CD1-CB 4.15Å; F187-P249 HydrophobicContact CD2-CB 3.92Å; F187-P249 HydrophobicContact CD2-CG 3.72Å; F187-P249 HydrophobicContact CE2-CG 4.24Å; F187-P249 HydrophobicContact CG-CB 3.62Å; F187-P249 HydrophobicContact CG-CG 3.98Å; F187-L250 HydrophobicContact CD1-CD2 3.36Å; F187-L250 HydrophobicContact CE1-CD2 3.86Å; F187-L250 HydrophobicContact CG-CD2 4.2Å
188M97.2Very high90.7Very high3 Ų357 Ų572%0.01530%0.297CS..  trans-68.6128.7179.9175.3178.9-70.300110.1V133 V134 F135 L163 D164 Q192 A193V133-M188 HydrophobicContact CB-SD 4.03Å; V133-M188 HydrophobicContact CG1-CE 4.24Å; V133-M188 HydrophobicContact CG1-SD 3.65Å; V134-M188 WeakPolarHBondContact O-CE 3.25Å; F135-M188 HydrophobicContact CB-CE 4.27Å; F135-M188 HydrophobicContact CD1-CE 3.68Å; F135-M188 HydrophobicContact CD2-CE 4.34Å; F135-M188 HydrophobicContact CE1-CB 3.96Å; F135-M188 HydrophobicContact CE1-CE 4.09Å; F135-M188 HydrophobicContact CE1-CG 4.36Å; F135-M188 HydrophobicContact CE2-CB 3.88Å; F135-M188 HydrophobicContact CG-CE 3.83Å; F135-M188 VanDerWaalsContact CZ-CA 3.41Å; F135-M188 HydrophobicContact CZ-CB 3.58Å; F135-M188 HydrophobicContact CZ-CG 4.45Å; L163-M188 HydrophobicContact CB-CB 3.95Å; L163-M188 HydrophobicContact CB-CG 4.07Å; L163-M188 HydrophobicContact CB-SD 4.22Å; L163-M188 HydrophobicContact CD1-CG 4.44Å; L163-M188 HydrophobicContact CD2-SD 4.15Å; D164-M188 HydrophobicContact CB-CB 4.23Å; D164-M188 HydrophobicContact CB-CE 4.17Å; D164-M188 WeakPolarHBondContact O-CB 3.39Å; D164-M188 PolarHBondContact O-N 2.66Å; M188-Q192 HydrophobicContact CG-CB 4.14Å; M188-A193 HydrophobicContact CG-CB 4.32Å; M188-A193 HydrophobicContact SD-CB 3.88Å
189T98.4Very high91.6Very high46 Ų4657.1 Ų57.128%0.28228%0.28SS..  trans-85.7160.5175.871.60000111.2F187 S191 Q192 A193F187-T189 PolarHBondContact O-N 3.07Å; T189-S191 PolarHBondContact O-N 2.93Å; T189-S191 PolarHBondContact OG1-N 3.05Å; T189-Q192 PolarHBondContact O-N 2.74Å; T189-Q192 WeakPolarHBondContact OG1-CG 3.43Å; T189-Q192 PolarHBondContact OG1-N 3.44Å; T189-Q192 VanDerWaalsContact OG1-N 3.16Å; T189-A193 PolarHBondContact O-N 3.07Å
190V98.6Very high92.5Very high0 Ų052.3 Ų52.30%026%0.259CS..Hα-helixtrans-55.5-40.5170.81700000111.2L163 A193 A194 L241 L246 H251 S252 L253L163-V190 HydrophobicContact CD1-CG2 4.24Å; V190-A193 PolarHBondContact O-N 2.89Å; V190-A194 VanDerWaalsContact O-CB 3.26Å; V190-A194 WeakPolarHBondContact O-CB 3.35Å; V190-A194 PolarHBondContact O-N 2.82Å; V190-L241 HydrophobicContact CG1-CB 4.01Å; V190-L241 HydrophobicContact CG1-CD1 3.98Å; V190-L241 HydrophobicContact CG1-CD2 4.09Å; V190-L241 HydrophobicContact CG1-CG 4.25Å; V190-L246 HydrophobicContact CB-CD1 4Å; V190-L246 HydrophobicContact CG1-CD1 4.4Å; V190-L246 HydrophobicContact CG2-CD1 3.71Å; V190-H251 HydrophobicContact CG2-CB 3.99Å; V190-H251 PolarHBondContact N-ND1 2.76Å; V190-S252 VanDerWaalsContact CG2-O 3.31Å; V190-S252 WeakPolarHBondContact CG2-O 3.48Å; V190-L253 HydrophobicContact CG1-CD1 4.13Å
191S98.5Very high93.4Very high32 Ų3244.1 Ų44.122%0.22422%0.224CC..Hα-helixtrans-61.4-45.6177.91560000111.8T189 A194 D195 L241 A242T189-S191 PolarHBondContact O-N 2.93Å; T189-S191 PolarHBondContact OG1-N 3.05Å; S191-A194 PolarHBondContact O-N 3.46Å; S191-D195 WeakPolarHBondContact O-CB 3.44Å; S191-D195 PolarHBondContact O-N 2.85Å; S191-L241 VanDerWaalsContact CA-O 3.27Å; S191-L241 WeakPolarHBondContact CA-O 3.42Å; S191-A242 WeakPolarHBondContact CB-O 3.39Å; S191-A242 PolarHBondContact OG-O 2.98Å
192Q98.3Very high94.1Very high78 Ų7844.6 Ų44.636%0.36422%0.224SC..Hα-helixtrans-64.1-42.6176.1-71.1171.3-36.800112.4M188 T189 D195 Q196M188-Q192 HydrophobicContact CG-CB 4.14Å; T189-Q192 PolarHBondContact O-N 2.74Å; T189-Q192 WeakPolarHBondContact OG1-CG 3.43Å; T189-Q192 PolarHBondContact OG1-N 3.44Å; T189-Q192 VanDerWaalsContact OG1-N 3.16Å; Q192-D195 PolarHBondContact O-N 2.87Å; Q192-Q196 PolarHBondContact O-N 3.2Å
193A98.4Very high94.8Very high0 Ų044.4 Ų44.40%022%0.223CC..Hα-helixtrans-64.9-41.4178.100000112V133 L163 M188 T189 V190 Q196 L197 L253V133-A193 HydrophobicContact CG1-CB 4.26Å; L163-A193 HydrophobicContact CD1-CB 4.06Å; L163-A193 HydrophobicContact CD2-CB 3.49Å; L163-A193 VanDerWaalsContact CD2-CB 3.49Å; L163-A193 HydrophobicContact CG-CB 4.42Å; M188-A193 HydrophobicContact CG-CB 4.32Å; M188-A193 HydrophobicContact SD-CB 3.88Å; T189-A193 PolarHBondContact O-N 3.07Å; V190-A193 PolarHBondContact O-N 2.89Å; A193-Q196 PolarHBondContact O-N 3.22Å; A193-L197 WeakPolarHBondContact O-CG 3.29Å; A193-L197 PolarHBondContact O-N 2.75Å; A193-L197 VanDerWaalsContact O-N 3.08Å; A193-L253 HydrophobicContact CB-CD2 4.38Å
194A98.6Very high95.4Very high0 Ų041.6 Ų41.60%021%0.208CC..Hα-helixtrans-65-42.9176.500000111.7V190 S191 L197 I198 L238 L241 A242V190-A194 VanDerWaalsContact O-CB 3.26Å; V190-A194 WeakPolarHBondContact O-CB 3.35Å; V190-A194 PolarHBondContact O-N 2.82Å; S191-A194 PolarHBondContact O-N 3.46Å; A194-L197 PolarHBondContact O-N 2.82Å; A194-I198 WeakPolarHBondContact O-CG1 3.39Å; A194-I198 PolarHBondContact O-N 2.98Å; A194-L238 HydrophobicContact CB-CD1 3.77Å; A194-L241 HydrophobicContact CB-CB 3.92Å; A194-A242 HydrophobicContact CB-CB 4.12Å
195D98.2Very high95.8Very high72 Ų7242.1 Ų42.139%0.38520%0.197SC..Hα-helixtrans-60.9-44.2175.1-174.273.8000112S191 Q192 L197 I198 Q199S191-D195 WeakPolarHBondContact O-CB 3.44Å; S191-D195 PolarHBondContact O-N 2.85Å; Q192-D195 PolarHBondContact O-N 2.87Å; D195-L197 VanDerWaalsContact C-N 3.34Å; D195-L197 PolarHBondContact O-N 2.95Å; D195-I198 PolarHBondContact O-N 3.25Å; D195-Q199 WeakPolarHBondContact O-CG 3.34Å; D195-Q199 PolarHBondContact O-N 3.01Å; D195-Q199 PolarHBondContact OD2-NE2 3.47Å
196Q97.9Very high95.8Very high14 Ų1443.2 Ų43.27%0.06521%0.206CC..Hα-helixtrans-59.4-42.3174.1-75.5-172.7-176.600112.1V134 W136 Q192 A193 Q199 I200V134-Q196 PolarHBondContact O-NE2 2.84Å; W136-Q196 HydrophobicContact CD2-CG 4.01Å; W136-Q196 HydrophobicContact CE3-CG 4.02Å; W136-Q196 HydrophobicContact CG-CG 4.42Å; W136-Q196 HydrophobicContact CZ3-CG 4.39Å; W136-Q196 VanDerWaalsContact N-OE1 3.15Å; Q192-Q196 PolarHBondContact O-N 3.2Å; A193-Q196 PolarHBondContact O-N 3.22Å; Q196-Q199 PolarHBondContact O-N 3.42Å; Q196-I200 WeakPolarHBondContact O-CG1 3.36Å; Q196-I200 PolarHBondContact O-N 3.41Å; Q196-I200 VanDerWaalsContact O-N 3.1Å
197L98Very high95.8Very high1 Ų142.5 Ų42.51%0.00521%0.208CC..Hα-helixtrans-64.2-40.8176.5-72.9169.7000111.9F145 Y146 I149 A193 A194 D195 I200 I201 L238 L253 V255F145-L197 HydrophobicContact CD2-CD2 4.24Å; F145-L197 HydrophobicContact CE2-CD2 3.83Å; Y146-L197 HydrophobicContact CD2-CD2 3.9Å; I149-L197 HydrophobicContact CD1-CD2 3.94Å; A193-L197 WeakPolarHBondContact O-CG 3.29Å; A193-L197 PolarHBondContact O-N 2.75Å; A193-L197 VanDerWaalsContact O-N 3.08Å; A194-L197 PolarHBondContact O-N 2.82Å; D195-L197 VanDerWaalsContact C-N 3.34Å; D195-L197 PolarHBondContact O-N 2.95Å; L197-I200 PolarHBondContact O-N 3.22Å; L197-I201 WeakPolarHBondContact O-CD1 3.47Å; L197-I201 VanDerWaalsContact O-CG1 3.24Å; L197-I201 WeakPolarHBondContact O-CG1 3.38Å; L197-I201 PolarHBondContact O-N 3.24Å; L197-L238 HydrophobicContact CB-CD1 4.23Å; L197-L238 HydrophobicContact CB-CD2 3.95Å; L197-L238 HydrophobicContact CD1-CD1 3.92Å; L197-L253 HydrophobicContact CD1-CD2 3.64Å; L197-V255 HydrophobicContact CD1-CG2 4.47Å
198I97.8Very high95Very high13 Ų1348.9 Ų48.97%0.06724%0.238CC..Hα-helixtrans-62.6-44.6176-68.5168.4000110.8A194 D195 I200 I201 E202 E216 L238 A242A194-I198 WeakPolarHBondContact O-CG1 3.39Å; A194-I198 PolarHBondContact O-N 2.98Å; D195-I198 PolarHBondContact O-N 3.25Å; I198-I200 VanDerWaalsContact C-N 3.29Å; I198-I200 PolarHBondContact O-N 3.06Å; I198-I201 WeakPolarHBondContact O-CB 3.17Å; I198-I201 PolarHBondContact O-N 3.4Å; I198-I201 VanDerWaalsContact O-N 3.11Å; I198-E202 HydrophobicContact CG2-CG 4.31Å; I198-E202 WeakPolarHBondContact O-CG 3.33Å; I198-E202 PolarHBondContact O-N 2.67Å; I198-E216 HydrophobicContact CG1-CG 4.22Å; I198-E216 HydrophobicContact CG2-CG 4.21Å; I198-L238 HydrophobicContact CD1-CG 4.39Å; I198-L238 HydrophobicContact CG1-CD2 3.95Å; I198-L238 HydrophobicContact CG1-CG 4.01Å; I198-A242 HydrophobicContact CD1-CB 3.72Å
199Q96.6Very high93.9Very high69 Ų6952.8 Ų52.832%0.32226%0.256SS..Hα-helixtrans-60.2-37.4176.4-71.2-17755.300112.4W136 D195 Q196 R203W136-Q199 HydrophobicContact CH2-CB 4.02Å; W136-Q199 HydrophobicContact CZ3-CB 3.87Å; D195-Q199 WeakPolarHBondContact O-CG 3.34Å; D195-Q199 PolarHBondContact O-N 3.01Å; D195-Q199 PolarHBondContact OD2-NE2 3.47Å; Q196-Q199 PolarHBondContact O-N 3.42Å; Q199-R203 WeakPolarHBondContact O-CB 3.47Å; Q199-R203 PolarHBondContact O-N 3.35Å
200I95.6Very high92Very high0 Ų060.3 Ų60.30%029%0.288CS..Hα-helixtrans-64.2-46.4173.8-64.8162.7000110.3W136 E143 F145 Y146 Q196 L197 I198 E202 R203 R204W136-I200 HydrophobicContact CH2-CD1 4.38Å; W136-I200 HydrophobicContact CH2-CG1 3.75Å; W136-I200 HydrophobicContact CZ2-CD1 3.87Å; W136-I200 HydrophobicContact CZ2-CG1 3.65Å; E143-I200 HydrophobicContact CB-CD1 3.69Å; E143-I200 HydrophobicContact CB-CG1 4.08Å; F145-I200 HydrophobicContact CE2-CD1 3.76Å; F145-I200 HydrophobicContact CZ-CD1 3.81Å; Y146-I200 HydrophobicContact CD1-CG2 3.94Å; Y146-I200 HydrophobicContact CD2-CB 4.33Å; Y146-I200 HydrophobicContact CD2-CD1 4.5Å; Y146-I200 HydrophobicContact CD2-CG2 3.75Å; Y146-I200 HydrophobicContact CE1-CG2 4.22Å; Y146-I200 HydrophobicContact CE2-CG2 4.06Å; Y146-I200 HydrophobicContact CG-CG2 3.69Å; Q196-I200 WeakPolarHBondContact O-CG1 3.36Å; Q196-I200 PolarHBondContact O-N 3.41Å; Q196-I200 VanDerWaalsContact O-N 3.1Å; L197-I200 PolarHBondContact O-N 3.22Å; I198-I200 VanDerWaalsContact C-N 3.29Å; I198-I200 PolarHBondContact O-N 3.06Å; I200-E202 PolarHBondContact O-N 2.86Å; I200-R203 PolarHBondContact O-N 2.98Å; I200-R204 HydrophobicContact CG2-CG 4.39Å; I200-R204 WeakPolarHBondContact O-CB 3.32Å; I200-R204 WeakPolarHBondContact O-CG 3.49Å; I200-R204 PolarHBondContact O-N 2.93Å
201I95.3Very high90.5Very high0 Ų069.1 Ų69.10%033%0.329CS..Hα-helixtrans-59.1-47.6179.3-68.9161.9000110.8Y146 L197 I198 R205 L212 V214 L238Y146-I201 HydrophobicContact CE2-CG1 3.86Å; L197-I201 WeakPolarHBondContact O-CD1 3.47Å; L197-I201 VanDerWaalsContact O-CG1 3.24Å; L197-I201 WeakPolarHBondContact O-CG1 3.38Å; L197-I201 PolarHBondContact O-N 3.24Å; I198-I201 WeakPolarHBondContact O-CB 3.17Å; I198-I201 PolarHBondContact O-N 3.4Å; I198-I201 VanDerWaalsContact O-N 3.11Å; I201-R205 VanDerWaalsContact O-CB 3.24Å; I201-R205 WeakPolarHBondContact O-CB 3.26Å; I201-R205 PolarHBondContact O-N 3.33Å; I201-L212 HydrophobicContact CG2-CD1 4.14Å; I201-V214 HydrophobicContact CD1-CB 4.28Å; I201-V214 HydrophobicContact CD1-CG1 3.99Å; I201-L238 HydrophobicContact CD1-CD2 3.62Å
202E94.4Very high89.7Confident102 Ų10269.8 Ų69.848%0.47733%0.33SS..Hα-helixtrans-62.4-44.7178.9-71.9178.116800112I198 I200 R205 S206I198-E202 HydrophobicContact CG2-CG 4.31Å; I198-E202 WeakPolarHBondContact O-CG 3.33Å; I198-E202 PolarHBondContact O-N 2.67Å; I200-E202 PolarHBondContact O-N 2.86Å; E202-R205 PolarHBondContact O-N 3.47Å; E202-S206 PolarHBondContact O-N 3.22Å; E202-S206 VanDerWaalsContact O-N 3.09Å
203R93.1Very high89.2Confident91 Ų9167.4 Ų67.434%0.34333%0.327SS..Hα-helixtrans-62.1-51.7178.3-172.2-176.667.471.48.6111.5E143 Q199 I200 R205 S206 E207E143-R203 IonicContact OE1-NH2 3.65Å; E143-R203 PolarHBondContact OE1-NH2 3.28Å; E143-R203 IonicContact OE2-CZ 3.54Å; E143-R203 IonicContact OE2-NE 3.34Å; E143-R203 IonicContact OE2-NH2 3.77Å; E143-R203 PolarHBondContact OE2-NH2 3.21Å; Q199-R203 WeakPolarHBondContact O-CB 3.47Å; Q199-R203 PolarHBondContact O-N 3.35Å; I200-R203 PolarHBondContact O-N 2.98Å; R203-R205 VanDerWaalsContact C-N 3.31Å; R203-R205 PolarHBondContact O-N 3.24Å; R203-S206 WeakPolarHBondContact O-CB 3.36Å; R203-S206 PolarHBondContact O-N 3.19Å; R203-S206 PolarHBondContact O-OG 2.63Å; R203-E207 WeakPolarHBondContact CG-OE1 3.45Å; R203-E207 IonicContact CZ-OE1 3.83Å; R203-E207 IonicContact CZ-OE2 3.85Å; R203-E207 IonicContact NH1-OE1 2.76Å; R203-E207 PolarHBondContact NH1-OE1 2.83Å; R203-E207 IonicContact NH1-OE2 2.78Å; R203-E207 PolarHBondContact NH1-OE2 3.33Å; R203-E207 WeakPolarHBondContact O-CG 3.36Å; R203-E207 PolarHBondContact O-N 2.88Å; R203-E207 VanDerWaalsContact O-N 3.16Å
204R92.4Very high89Confident22 Ų2267.4 Ų67.48%0.08333%0.327CS..Hα-helixtrans-64.6-34.7-180-71.8-177.1174.6-146.110.7112.7E143 D147 I200 S206 E207 E208 E209 L212E143-R204 IonicContact OE1-CZ 2.77Å; E143-R204 IonicContact OE1-NE 3.17Å; E143-R204 PolarHBondContact OE1-NE 3.14Å; E143-R204 VanDerWaalsContact OE1-NE 3.13Å; E143-R204 IonicContact OE1-NH2 2.8Å; E143-R204 PolarHBondContact OE1-NH2 2.99Å; D147-R204 IonicContact OD1-CZ 2.78Å; D147-R204 VanDerWaalsContact OD1-CZ 3.27Å; D147-R204 IonicContact OD1-NH1 2.67Å; D147-R204 PolarHBondContact OD1-NH1 3.24Å; D147-R204 IonicContact OD1-NH2 2.76Å; D147-R204 PolarHBondContact OD1-NH2 3.43Å; D147-R204 IonicContact OD2-NH2 3.13Å; I200-R204 HydrophobicContact CG2-CG 4.39Å; I200-R204 WeakPolarHBondContact O-CB 3.32Å; I200-R204 WeakPolarHBondContact O-CG 3.49Å; I200-R204 PolarHBondContact O-N 2.93Å; R204-S206 VanDerWaalsContact C-N 3.3Å; R204-S206 PolarHBondContact O-N 2.98Å; R204-E207 PolarHBondContact O-N 2.91Å; R204-E208 PolarHBondContact O-N 2.75Å; R204-E209 VanDerWaalsContact CD-OE2 3.27Å; R204-E209 WeakPolarHBondContact CD-OE2 3.35Å; R204-E209 IonicContact CZ-OE2 3.73Å; R204-E209 IonicContact NE-OE2 2.61Å; R204-E209 IonicContact NH1-OE2 3.59Å; R204-E209 PolarHBondContact NH1-OE2 2.92Å; R204-E209 PolarHBondContact O-N 3.17Å; R204-L212 HydrophobicContact CB-CD2 3.89Å
205R91.4Very high88.8Confident115 Ų11569.7 Ų69.743%0.43434%0.341SS..Hα-helixtrans-60.3-40171.5-173.3-177.4-66.1147.8-0.8111.9I201 E202 R203 E207 E208 L212 E216I201-R205 VanDerWaalsContact O-CB 3.24Å; I201-R205 WeakPolarHBondContact O-CB 3.26Å; I201-R205 PolarHBondContact O-N 3.33Å; E202-R205 PolarHBondContact O-N 3.47Å; R203-R205 VanDerWaalsContact C-N 3.31Å; R203-R205 PolarHBondContact O-N 3.24Å; R205-E207 VanDerWaalsContact C-N 3.28Å; R205-E207 PolarHBondContact O-N 2.87Å; R205-E208 PolarHBondContact O-N 3.07Å; R205-L212 HydrophobicContact CB-CD1 4.17Å; R205-E216 IonicContact CZ-OE1 3.36Å; R205-E216 IonicContact CZ-OE2 3.27Å; R205-E216 IonicContact NH1-OE1 3.7Å; R205-E216 PolarHBondContact NH1-OE1 3.4Å; R205-E216 IonicContact NH1-OE2 3.78Å; R205-E216 VanDerWaalsContact NH2-CD 3.31Å; R205-E216 IonicContact NH2-OE1 3.28Å; R205-E216 PolarHBondContact NH2-OE1 2.83Å; R205-E216 VanDerWaalsContact NH2-OE1 3.1Å; R205-E216 IonicContact NH2-OE2 2.91Å; R205-E216 PolarHBondContact NH2-OE2 3.22Å
206S88.8Confident88.7Confident92 Ų9266.8 Ų66.864%0.64333%0.325SS*.Hα-helixtrans-72.4-21.9178.776.10000113.8E202 R203 R204 E208E202-S206 PolarHBondContact O-N 3.22Å; E202-S206 VanDerWaalsContact O-N 3.09Å; R203-S206 WeakPolarHBondContact O-CB 3.36Å; R203-S206 PolarHBondContact O-N 3.19Å; R203-S206 PolarHBondContact O-OG 2.63Å; R204-S206 VanDerWaalsContact C-N 3.3Å; R204-S206 PolarHBondContact O-N 2.98Å; S206-E208 VanDerWaalsContact C-N 3.32Å
207E89.3Confident88.6Confident100 Ų10070 Ų7047%0.46734%0.343SS..THydrogen-bonded Turntrans-89.85.5178.7-68.5170.4-172.900112.8R203 R204 R205 E209R203-E207 WeakPolarHBondContact CG-OE1 3.45Å; R203-E207 IonicContact CZ-OE1 3.83Å; R203-E207 IonicContact CZ-OE2 3.85Å; R203-E207 IonicContact NH1-OE1 2.76Å; R203-E207 PolarHBondContact NH1-OE1 2.83Å; R203-E207 IonicContact NH1-OE2 2.78Å; R203-E207 PolarHBondContact NH1-OE2 3.33Å; R203-E207 WeakPolarHBondContact O-CG 3.36Å; R203-E207 PolarHBondContact O-N 2.88Å; R203-E207 VanDerWaalsContact O-N 3.16Å; R204-E207 PolarHBondContact O-N 2.91Å; R205-E207 VanDerWaalsContact C-N 3.28Å; R205-E207 PolarHBondContact O-N 2.87Å; E207-E209 VanDerWaalsContact C-N 3.27Å; E207-E209 PolarHBondContact O-N 2.95Å
208E77.7Confident88.6Confident176 Ų17670 Ų7082%0.82234%0.343SS*.THydrogen-bonded Turntrans56.632.3-179.2-60.4-177.9-17200114.2R204 R205 S206 E210R204-E208 PolarHBondContact O-N 2.75Å; R205-E208 PolarHBondContact O-N 3.07Å; S206-E208 VanDerWaalsContact C-N 3.32Å; E208-E210 PolarHBondContact O-N 2.89Å
209E73.8Confident88.6Confident85 Ų8569.4 Ų69.440%0.39734%0.34SS..  trans-63.2131.1172-72.8-172.3-170.800111.2R204 E207 E211R204-E209 VanDerWaalsContact CD-OE2 3.27Å; R204-E209 WeakPolarHBondContact CD-OE2 3.35Å; R204-E209 IonicContact CZ-OE2 3.73Å; R204-E209 IonicContact NE-OE2 2.61Å; R204-E209 IonicContact NH1-OE2 3.59Å; R204-E209 PolarHBondContact NH1-OE2 2.92Å; R204-E209 PolarHBondContact O-N 3.17Å; E207-E209 VanDerWaalsContact C-N 3.27Å; E207-E209 PolarHBondContact O-N 2.95Å; E209-E211 VanDerWaalsContact C-N 3.31Å; E209-E211 PolarHBondContact O-N 2.95Å; E209-E211 VanDerWaalsContact O-N 3.15Å
210E58.7Low88.7Confident204 Ų20466.1 Ų66.195%0.95332%0.324SS*.SBendtrans-63-21.7-164.5-87.4-179.6154.200115.9E208E208-E210 PolarHBondContact O-N 2.89Å
211E67.2Low88.9Confident185 Ų18566.1 Ų66.186%0.86432%0.324SS*.  trans-154.8114.7179.2-134.4173.5-172.900113.7E209 G213E209-E211 VanDerWaalsContact C-N 3.31Å; E209-E211 PolarHBondContact O-N 2.95Å; E209-E211 VanDerWaalsContact O-N 3.15Å; E211-G213 PolarHBondContact O-N 2.89Å
212L82.7Confident89Confident46 Ų4666.1 Ų66.124%0.24132%0.324CS..  trans-82.2113.9172-67.7167.9000109.6I201 R204 R205 V214I201-L212 HydrophobicContact CG2-CD1 4.14Å; R204-L212 HydrophobicContact CB-CD2 3.89Å; R205-L212 HydrophobicContact CB-CD1 4.17Å; L212-V214 PolarHBondContact O-N 2.9Å
213G86.9Confident89.2Confident28 Ų2861.3 Ų61.329%0.28930%0.302SS..SBendtrans-71-17176.100000114.3R153 E211R153-G213 WeakPolarHBondContact CD-O 3.27Å; R153-G213 PolarHBondContact NE-O 2.87Å; E211-G213 PolarHBondContact O-N 2.89Å
214V93.6Very high89.4Confident0 Ų057 Ų570%029%0.286CS..  trans-135.3145.1178.9-1750000109.4Y146 I149 I201 L212 T218 L238 V255Y146-V214 HydrophobicContact CE2-CB 4.13Å; Y146-V214 HydrophobicContact CE2-CG2 4.42Å; I149-V214 HydrophobicContact CG2-CG2 3.67Å; I201-V214 HydrophobicContact CD1-CB 4.28Å; I201-V214 HydrophobicContact CD1-CG1 3.99Å; L212-V214 PolarHBondContact O-N 2.9Å; V214-T218 HydrophobicContact CG1-CG2 4.1Å; V214-L238 HydrophobicContact CG1-CD2 4.04Å; V214-V255 HydrophobicContact CG2-CG1 4.32Å
215T95.1Very high89.5Confident48 Ų4857.5 Ų57.529%0.29429%0.288SS..  trans-127.3167175.266.40000110.2D217 T218T215-D217 PolarHBondContact O-N 3.39Å; T215-D217 PolarHBondContact OG1-N 2.84Å; T215-T218 PolarHBondContact N-OG1 3.37Å; T215-T218 WeakPolarHBondContact O-CB 3.26Å; T215-T218 PolarHBondContact O-N 2.83Å; T215-T218 PolarHBondContact O-OG1 2.63Å; T215-T218 VanDerWaalsContact O-OG1 3.12Å; T215-T218 PolarHBondContact OG1-N 2.97Å; T215-T218 PolarHBondContact OG1-OG1 2.81Å
216E96.4Very high89.7Confident11 Ų1153 Ų535%0.05127%0.272CS..THydrogen-bonded Turntrans-62.1-23175.7-56.794.6135.300112.7I198 R205 L238 R239I198-E216 HydrophobicContact CG1-CG 4.22Å; I198-E216 HydrophobicContact CG2-CG 4.21Å; R205-E216 IonicContact CZ-OE1 3.36Å; R205-E216 IonicContact CZ-OE2 3.27Å; R205-E216 IonicContact NH1-OE1 3.7Å; R205-E216 PolarHBondContact NH1-OE1 3.4Å; R205-E216 IonicContact NH1-OE2 3.78Å; R205-E216 VanDerWaalsContact NH2-CD 3.31Å; R205-E216 IonicContact NH2-OE1 3.28Å; R205-E216 PolarHBondContact NH2-OE1 2.83Å; R205-E216 VanDerWaalsContact NH2-OE1 3.1Å; R205-E216 IonicContact NH2-OE2 2.91Å; R205-E216 PolarHBondContact NH2-OE2 3.22Å; E216-L238 PolarHBondContact O-N 2.99Å; E216-R239 HydrophobicContact CB-CB 4.21Å; E216-R239 WeakPolarHBondContact O-CB 3.37Å; E216-R239 PolarHBondContact O-N 2.75Å; E216-R239 IonicContact OE1-NH2 3.68Å
217D96.2Very high89.7Confident82 Ų8250.4 Ų50.444%0.43926%0.26SS..THydrogen-bonded Turntrans-88.8-9.6176.9-62.2-37.2000112.7T215 V219 H278T215-D217 PolarHBondContact O-N 3.39Å; T215-D217 PolarHBondContact OG1-N 2.84Å; D217-V219 PolarHBondContact O-N 3.2Å; D217-H278 PolarHBondContact O-CE1 3.15Å; D217-H278 PolarHBondContact O-NE2 3.46Å
218T97.4Very high89.9Confident2 Ų246.4 Ų46.41%0.01224%0.244CC..  trans-54.2129.1178.6-64.30000110.5V214 T215 C220 T237 L238 V255V214-T218 HydrophobicContact CG1-CG2 4.1Å; T215-T218 PolarHBondContact N-OG1 3.37Å; T215-T218 WeakPolarHBondContact O-CB 3.26Å; T215-T218 PolarHBondContact O-N 2.83Å; T215-T218 PolarHBondContact O-OG1 2.63Å; T215-T218 VanDerWaalsContact O-OG1 3.12Å; T215-T218 PolarHBondContact OG1-N 2.97Å; T215-T218 PolarHBondContact OG1-OG1 2.81Å; T218-C220 PolarHBondContact O-N 2.94Å; T218-T237 CarbonylContact O-C 3.54Å; T218-T237 WeakPolarHBondContact O-CA 3.3Å; T218-L238 PolarHBondContact O-N 3.26Å; T218-V255 HydrophobicContact CG2-CG1 4.04Å
219V98.3Very high90.5Very high0 Ų046.4 Ų46.40%025%0.25CC..EExtended strand (participates in β ladder)trans-70.6130.8178.5173.20000109.4D217 T256 L267 L276 L279 S289D217-V219 PolarHBondContact O-N 3.2Å; V219-T256 HydrophobicContact CG1-CG2 4.19Å; V219-T256 WeakPolarHBondContact O-CB 3.34Å; V219-T256 WeakPolarHBondContact O-CG2 3.44Å; V219-T256 PolarHBondContact O-N 2.96Å; V219-T256 PolarHBondContact O-OG1 2.68Å; V219-L267 HydrophobicContact CG1-CD1 4.34Å; V219-L276 HydrophobicContact CB-CD2 4.46Å; V219-L276 HydrophobicContact CG1-CD2 3.66Å; V219-L276 HydrophobicContact CG2-CD2 3.89Å; V219-L279 HydrophobicContact CG2-CD2 3.9Å; V219-L279 HydrophobicContact CG2-CG 4.44Å; V219-S289 PolarHBondContact N-OG 3.32Å
220C98.6Very high91.5Very high0 Ų046.8 Ų46.80%025%0.254CS..EExtended strand (participates in β ladder)trans-133.2165-179.3-69.90000110T218 A235 A236 L241 L253 V254T218-C220 PolarHBondContact O-N 2.94Å; C220-A235 WeakPolarHBondContact O-CA 3.42Å; C220-A236 PolarHBondContact N-O 3.44Å; C220-A236 PolarHBondContact O-N 3.08Å; C220-L241 HydrophobicContact CB-CD1 3.37Å; C220-L253 HydrophobicContact CB-CD1 3.99Å; C220-V254 CarbonylContact C-O 3.51Å; C220-V254 WeakPolarHBondContact CA-O 3.3Å; C220-V254 WeakPolarHBondContact CB-O 3.37Å
221V98.8Very high93.2Very high0 Ų041.6 Ų41.60%023%0.23CC..EExtended strand (participates in β ladder)trans-123.9119.5171.6-168.60000109.6C120 L122 L223 V233 R234 A235 L253 V254 T256 L267C120-V221 HydrophobicContact CB-CG1 3.85Å; L122-V221 HydrophobicContact CD1-CG2 4.24Å; V221-L223 HydrophobicContact CB-CD1 4.4Å; V221-L223 HydrophobicContact CG1-CD1 4.11Å; V221-L223 HydrophobicContact CG1-CG 4.24Å; V221-V233 HydrophobicContact CG1-CG1 3.69Å; V221-R234 CarbonylContact C-O 3.56Å; V221-R234 WeakPolarHBondContact CA-O 2.89Å; V221-A235 HydrophobicContact CG2-CB 4.49Å; V221-L253 CarbonylContact O-C 3.48Å; V221-L253 WeakPolarHBondContact O-CA 3.39Å; V221-V254 HydrophobicContact CB-CB 4.16Å; V221-V254 PolarHBondContact N-O 3.26Å; V221-V254 PolarHBondContact O-N 2.9Å; V221-T256 HydrophobicContact CG2-CG2 4.43Å; V221-L267 HydrophobicContact CG2-CD2 3.49Å; V221-L267 VanDerWaalsContact CG2-CD2 3.49Å
222G98.7Very high94.7Very high0 Ų033.9 Ų33.90%020%0.198CC..EExtended strand (participates in β ladder)trans-85.8132.3164.800000110.4V233 R234G222-V233 CarbonylContact O-C 3.58Å; G222-V233 WeakPolarHBondContact O-CA 3.38Å; G222-R234 PolarHBondContact N-O 3.23Å; G222-R234 PolarHBondContact O-N 2.95Å
223L98.4Very high95.4Very high0 Ų032.9 Ų32.90%019%0.194CC..EExtended strand (participates in β ladder)trans-123.1143.7172.6-51.291.5000109.6V117 C120 V221 L226 A232 V233 H251 S252 V254V117-L223 HydrophobicContact CG2-CD1 4.31Å; V117-L223 HydrophobicContact CG2-CD2 4.2Å; C120-L223 HydrophobicContact CB-CD2 4.16Å; V221-L223 HydrophobicContact CB-CD1 4.4Å; V221-L223 HydrophobicContact CG1-CD1 4.11Å; V221-L223 HydrophobicContact CG1-CG 4.24Å; L223-L226 HydrophobicContact CD2-CD1 4.34Å; L223-L226 HydrophobicContact CD2-CD2 4.4Å; L223-A232 CarbonylContact C-O 3.53Å; L223-A232 VanDerWaalsContact CA-O 3.31Å; L223-A232 WeakPolarHBondContact CA-O 3.42Å; L223-V233 HydrophobicContact CD2-CG2 4.38Å; L223-H251 CarbonylContact O-C 3.58Å; L223-H251 VanDerWaalsContact O-CA 3.26Å; L223-H251 WeakPolarHBondContact O-CA 3.32Å; L223-S252 PolarHBondContact N-O 3Å; L223-S252 PolarHBondContact O-N 2.93Å; L223-V254 HydrophobicContact CD1-CG2 3.75Å
224A97.3Very high96Very high1 Ų136.4 Ų36.41%0.00820%0.198CC..EExtended strand (participates in β ladder)trans-138.3144.4172.600000111.5L226 Q231 A232 L246 L250A224-L226 VanDerWaalsContact C-N 3.27Å; A224-L226 PolarHBondContact O-N 3.24Å; A224-Q231 WeakPolarHBondContact O-CA 3.21Å; A224-A232 HydrophobicContact CB-CB 4.3Å; A224-A232 PolarHBondContact N-O 3.43Å; A224-A232 PolarHBondContact O-N 3.4Å; A224-L246 HydrophobicContact CB-CB 3.8Å; A224-L250 CarbonylContact C-O 3.54Å; A224-L250 VanDerWaalsContact CA-O 3.26Å; A224-L250 WeakPolarHBondContact CA-O 3.24Å
225R95Very high96.2Very high33 Ų3336.5 Ų36.513%0.12520%0.199CC..SBendtrans51.244.2174.3-62.5175.9-55.6-66.6-5.7113G227 A228 D230 Q231 L246 G248 P249 L250R225-G227 PolarHBondContact O-N 2.91Å; R225-A228 HydrophobicContact CB-CB 4.05Å; R225-A228 VanDerWaalsContact O-CB 3.28Å; R225-A228 WeakPolarHBondContact O-CB 3.5Å; R225-A228 PolarHBondContact O-N 3.32Å; R225-D230 WeakPolarHBondContact CD-OD2 3.33Å; R225-D230 IonicContact CZ-OD2 3.84Å; R225-D230 VanDerWaalsContact NE-CG 3.26Å; R225-D230 PolarHBondContact NE-O 3.11Å; R225-D230 IonicContact NE-OD1 3.65Å; R225-D230 PolarHBondContact NE-OD1 2.94Å; R225-D230 IonicContact NE-OD2 2.75Å; R225-D230 PolarHBondContact NE-OD2 3.21Å; R225-D230 PolarHBondContact NH2-O 3.32Å; R225-D230 IonicContact NH2-OD2 2.77Å; R225-Q231 VanDerWaalsContact O-CB 3.22Å; R225-Q231 WeakPolarHBondContact O-CB 3.25Å; R225-L246 PolarHBondContact NH1-O 2.81Å; R225-L246 PolarHBondContact NH2-O 3.16Å; R225-G248 PolarHBondContact NH1-O 3.18Å; R225-P249 WeakPolarHBondContact CG-O 3.44Å; R225-L250 PolarHBondContact N-O 2.88Å
226L93.8Very high96.4Very high19 Ų1934.3 Ų34.310%0.09919%0.186CC..THydrogen-bonded Turntrans-62.3127.9-173.1-170.766.5000111.3L9 I113 A116 C119 L223 A224L9-L226 VanDerWaalsContact CB-O 3.24Å; L9-L226 WeakPolarHBondContact CB-O 3.43Å; I113-L226 HydrophobicContact CD1-CB 4.35Å; I113-L226 HydrophobicContact CD1-CD2 3.41Å; I113-L226 VanDerWaalsContact CD1-CD2 3.41Å; A116-L226 VanDerWaalsContact C-CD2 3.46Å; A116-L226 HydrophobicContact CB-CD2 3.44Å; A116-L226 VanDerWaalsContact CB-CD2 3.44Å; A116-L226 HydrophobicContact CB-CG 4.09Å; C119-L226 HydrophobicContact CB-CD1 4.49Å; C119-L226 WeakPolarHBondContact SG-CD1 3.34Å; L223-L226 HydrophobicContact CD2-CD1 4.34Å; L223-L226 HydrophobicContact CD2-CD2 4.4Å; A224-L226 VanDerWaalsContact C-N 3.27Å; A224-L226 PolarHBondContact O-N 3.24Å
227G90.8Very high96.5Very high39 Ų3934.2 Ų34.240%0.40219%0.186SC..THydrogen-bonded Turntrans91.5-9.1-173.500000114.9R225R225-G227 PolarHBondContact O-N 2.91Å
228A92.1Very high96.5Very high15 Ų1530.3 Ų30.312%0.12417%0.165CC..SBendtrans-86.3159.2170.100000111.9R225 D230 Q231R225-A228 HydrophobicContact CB-CB 4.05Å; R225-A228 VanDerWaalsContact O-CB 3.28Å; R225-A228 WeakPolarHBondContact O-CB 3.5Å; R225-A228 PolarHBondContact O-N 3.32Å; A228-D230 WeakPolarHBondContact CB-OD1 3.34Å; A228-D230 PolarHBondContact O-N 3.01Å; A228-Q231 VanDerWaalsContact O-CB 3.3Å; A228-Q231 WeakPolarHBondContact O-CB 3.18Å; A228-Q231 WeakPolarHBondContact O-CG 3.42Å; A228-Q231 PolarHBondContact O-N 2.86Å; A228-Q231 VanDerWaalsContact O-N 3.08Å
229D91.4Very high96.6Very high177 Ų17736.1 Ų36.195%0.94719%0.187SC*.THydrogen-bonded Turntrans-59.1-32.1176.3-74.8-22.8000112.8
230D93.4Very high96.6Very high92 Ų9238.9 Ų38.949%0.49220%0.2SC..THydrogen-bonded Turntrans-99.523.3179.476.1-32.4000112.8R225 A228R225-D230 WeakPolarHBondContact CD-OD2 3.33Å; R225-D230 IonicContact CZ-OD2 3.84Å; R225-D230 VanDerWaalsContact NE-CG 3.26Å; R225-D230 PolarHBondContact NE-O 3.11Å; R225-D230 IonicContact NE-OD1 3.65Å; R225-D230 PolarHBondContact NE-OD1 2.94Å; R225-D230 IonicContact NE-OD2 2.75Å; R225-D230 PolarHBondContact NE-OD2 3.21Å; R225-D230 PolarHBondContact NH2-O 3.32Å; R225-D230 IonicContact NH2-OD2 2.77Å; A228-D230 WeakPolarHBondContact CB-OD1 3.34Å; A228-D230 PolarHBondContact O-N 3.01Å
231Q95.6Very high96.6Very high95 Ų9538.9 Ų38.944%0.44420%0.2SC..  trans-53143174.668.4176.21.200111.5A224 R225 A228A224-Q231 WeakPolarHBondContact O-CA 3.21Å; R225-Q231 VanDerWaalsContact O-CB 3.22Å; R225-Q231 WeakPolarHBondContact O-CB 3.25Å; A228-Q231 VanDerWaalsContact O-CB 3.3Å; A228-Q231 WeakPolarHBondContact O-CB 3.18Å; A228-Q231 WeakPolarHBondContact O-CG 3.42Å; A228-Q231 PolarHBondContact O-N 2.86Å; A228-Q231 VanDerWaalsContact O-N 3.08Å
232A97.5Very high96.5Very high23 Ų2340 Ų4019%0.1921%0.209CC..EExtended strand (participates in β ladder)trans-124.5134.9178.100000110.7L223 A224 L246L223-A232 CarbonylContact C-O 3.53Å; L223-A232 VanDerWaalsContact CA-O 3.31Å; L223-A232 WeakPolarHBondContact CA-O 3.42Å; A224-A232 HydrophobicContact CB-CB 4.3Å; A224-A232 PolarHBondContact N-O 3.43Å; A224-A232 PolarHBondContact O-N 3.4Å; A232-L246 HydrophobicContact CB-CB 4.4Å; A232-L246 HydrophobicContact CB-CD2 4.38Å
233V98.3Very high96.4Very high25 Ų2544.8 Ų44.815%0.15224%0.242CC..EExtended strand (participates in β ladder)trans-126.8135.2172.3-178.60000107.8C120 V221 G222 L223 N270C120-V233 HydrophobicContact CB-CG1 4.06Å; V221-V233 HydrophobicContact CG1-CG1 3.69Å; G222-V233 CarbonylContact O-C 3.58Å; G222-V233 WeakPolarHBondContact O-CA 3.38Å; L223-V233 HydrophobicContact CD2-CG2 4.38Å; V233-N270 HydrophobicContact CB-CB 4.47Å; V233-N270 HydrophobicContact CG1-CB 4.25Å
234R98.5Very high96.3Very high103 Ų10346 Ų4639%0.38925%0.251SS..EExtended strand (participates in β ladder)trans-141.9113.7178-17958.757.393.45.2110.4V221 G222 A236 L241 L246 N270V221-R234 CarbonylContact C-O 3.56Å; V221-R234 WeakPolarHBondContact CA-O 2.89Å; G222-R234 PolarHBondContact N-O 3.23Å; G222-R234 PolarHBondContact O-N 2.95Å; R234-A236 HydrophobicContact CG-CB 4.32Å; R234-L241 HydrophobicContact CG-CD2 4.23Å; R234-L246 HydrophobicContact CB-CD2 3.69Å; R234-L246 HydrophobicContact CG-CD2 4.49Å; R234-N270 WeakPolarHBondContact CA-O 3.22Å; R234-N270 WeakPolarHBondContact CD-O 3.43Å
235A98.6Very high96.2Very high1 Ų152.6 Ų52.61%0.00829%0.286CS..EExtended strand (participates in β ladder)trans-84.8125.5167.100000108.9C220 V221 L267 N270 A271 A272C220-A235 WeakPolarHBondContact O-CA 3.42Å; V221-A235 HydrophobicContact CG2-CB 4.49Å; A235-L267 HydrophobicContact CB-CB 4.04Å; A235-L267 HydrophobicContact CB-CD2 3.92Å; A235-N270 PolarHBondContact N-O 2.77Å; A235-A271 HydrophobicContact CB-CB 4.47Å; A235-A271 CarbonylContact O-C 3.29Å; A235-A271 VanDerWaalsContact O-CA 3.24Å; A235-A271 WeakPolarHBondContact O-CA 3.33Å; A235-A272 PolarHBondContact O-N 2.91Å
236A98.4Very high96.3Very high2 Ų251.7 Ų51.72%0.01728%0.283CS..EExtended strand (participates in β ladder)trans-157.4168.4-179.600000110.5C220 R234 Q240 L241 A272C220-A236 PolarHBondContact N-O 3.44Å; C220-A236 PolarHBondContact O-N 3.08Å; R234-A236 HydrophobicContact CG-CB 4.32Å; A236-Q240 HydrophobicContact CB-CB 3.76Å; A236-L241 HydrophobicContact CB-CD2 3.74Å; A236-L241 HydrophobicContact CB-CG 3.96Å; A236-A272 HydrophobicContact CB-CB 3.76Å
237T98.5Very high96.5Very high10 Ų1052.7 Ų52.76%0.06130%0.298CS..EExtended strand (participates in β ladder)trans-66.3156.1166.869.50000110.4T218 R239 Q240 L241T218-T237 CarbonylContact O-C 3.54Å; T218-T237 WeakPolarHBondContact O-CA 3.3Å; T237-R239 PolarHBondContact O-N 3Å; T237-Q240 WeakPolarHBondContact O-CB 3.45Å; T237-Q240 PolarHBondContact O-N 2.95Å; T237-Q240 WeakPolarHBondContact OG1-CG 3.29Å; T237-Q240 PolarHBondContact OG1-N 2.91Å; T237-L241 PolarHBondContact O-N 3.05Å
238L98.2Very high96.6Very high0 Ų052.4 Ų52.40%030%0.296CS..Hα-helixtrans-52.5-41.6175.1-174.566.1000111.6A194 L197 I198 I201 V214 E216 T218 Q240 L241 A242A194-L238 HydrophobicContact CB-CD1 3.77Å; L197-L238 HydrophobicContact CB-CD1 4.23Å; L197-L238 HydrophobicContact CB-CD2 3.95Å; L197-L238 HydrophobicContact CD1-CD1 3.92Å; I198-L238 HydrophobicContact CD1-CG 4.39Å; I198-L238 HydrophobicContact CG1-CD2 3.95Å; I198-L238 HydrophobicContact CG1-CG 4.01Å; I201-L238 HydrophobicContact CD1-CD2 3.62Å; V214-L238 HydrophobicContact CG1-CD2 4.04Å; E216-L238 PolarHBondContact O-N 2.99Å; T218-L238 PolarHBondContact O-N 3.26Å; L238-Q240 PolarHBondContact O-N 3.46Å; L238-L241 PolarHBondContact O-N 3.23Å; L238-A242 PolarHBondContact O-N 3.39Å; L238-A242 VanDerWaalsContact O-N 3.11Å
239R97.9Very high96.7Very high123 Ų12354 Ų5446%0.46431%0.305SS..Hα-helixtrans-58.3-45.6174.4-170.5-179.6-60.9-76.12.3112.9E216 T237 L241 A242E216-R239 HydrophobicContact CB-CB 4.21Å; E216-R239 WeakPolarHBondContact O-CB 3.37Å; E216-R239 PolarHBondContact O-N 2.75Å; E216-R239 IonicContact OE1-NH2 3.68Å; T237-R239 PolarHBondContact O-N 3Å; R239-L241 VanDerWaalsContact C-N 3.34Å; R239-A242 PolarHBondContact O-N 3.05Å
240Q98.3Very high96.7Very high59 Ų5947.7 Ų47.728%0.27627%0.271SS..Hα-helixtrans-67-38178.7-73.5173.7-33.300111.1A236 T237 L238 A242 S243 C244 P273A236-Q240 HydrophobicContact CB-CB 3.76Å; T237-Q240 WeakPolarHBondContact O-CB 3.45Å; T237-Q240 PolarHBondContact O-N 2.95Å; T237-Q240 WeakPolarHBondContact OG1-CG 3.29Å; T237-Q240 PolarHBondContact OG1-N 2.91Å; L238-Q240 PolarHBondContact O-N 3.46Å; Q240-A242 VanDerWaalsContact C-N 3.31Å; Q240-A242 PolarHBondContact O-N 2.92Å; Q240-S243 PolarHBondContact O-N 3.37Å; Q240-S243 PolarHBondContact O-OG 3.45Å; Q240-C244 PolarHBondContact O-N 3.02Å; Q240-P273 PolarHBondContact NE2-O 3.28Å
241L98.4Very high96.9Very high0 Ų044.3 Ų44.30%025%0.252CS..Hα-helixtrans-65-32.1177-70-174.6000113.1V190 S191 A194 C220 R234 A236 T237 L238 R239 S243 C244 L253V190-L241 HydrophobicContact CG1-CB 4.01Å; V190-L241 HydrophobicContact CG1-CD1 3.98Å; V190-L241 HydrophobicContact CG1-CD2 4.09Å; V190-L241 HydrophobicContact CG1-CG 4.25Å; S191-L241 VanDerWaalsContact CA-O 3.27Å; S191-L241 WeakPolarHBondContact CA-O 3.42Å; A194-L241 HydrophobicContact CB-CB 3.92Å; C220-L241 HydrophobicContact CB-CD1 3.37Å; R234-L241 HydrophobicContact CG-CD2 4.23Å; A236-L241 HydrophobicContact CB-CD2 3.74Å; A236-L241 HydrophobicContact CB-CG 3.96Å; T237-L241 PolarHBondContact O-N 3.05Å; L238-L241 PolarHBondContact O-N 3.23Å; R239-L241 VanDerWaalsContact C-N 3.34Å; L241-S243 PolarHBondContact O-N 3.09Å; L241-C244 HydrophobicContact CD2-CB 4.36Å; L241-C244 PolarHBondContact O-N 3.09Å; L241-C244 PolarHBondContact O-SG 3.44Å; L241-L253 HydrophobicContact CD1-CD1 3.5Å
242A97.9Very high97.1Very high22 Ų2240.1 Ų40.118%0.18223%0.233CC..THydrogen-bonded Turntrans-59.3-21176.600000113.6S191 A194 I198 L238 R239 Q240S191-A242 WeakPolarHBondContact CB-O 3.39Å; S191-A242 PolarHBondContact OG-O 2.98Å; A194-A242 HydrophobicContact CB-CB 4.12Å; I198-A242 HydrophobicContact CD1-CB 3.72Å; L238-A242 PolarHBondContact O-N 3.39Å; L238-A242 VanDerWaalsContact O-N 3.11Å; R239-A242 PolarHBondContact O-N 3.05Å; Q240-A242 VanDerWaalsContact C-N 3.31Å; Q240-A242 PolarHBondContact O-N 2.92Å
243S96.2Very high97.1Very high102 Ų10239 Ų3971%0.71322%0.224SC*.THydrogen-bonded Turntrans-114.612.4176.459.10000113.9Q240 L241Q240-S243 PolarHBondContact O-N 3.37Å; Q240-S243 PolarHBondContact O-OG 3.45Å; L241-S243 PolarHBondContact O-N 3.09Å
244C95.4Very high97.2Very high25 Ų2537.8 Ų37.817%0.16922%0.217CC..  trans-83.3144.3-177.979.30000112.8Q240 L241Q240-C244 PolarHBondContact O-N 3.02Å; L241-C244 HydrophobicContact CD2-CB 4.36Å; L241-C244 PolarHBondContact O-N 3.09Å; L241-C244 PolarHBondContact O-SG 3.44Å
245D96.9Very high97.2Very high140 Ų14033 Ų3375%0.74920%0.198SC*.  trans-110119.3166.9-1767.9000109G247D245-G247 PolarHBondContact OD1-N 3.44Å
246L97.2Very high97.1Very high13 Ų1332.9 Ų32.97%0.06820%0.198CC..  trans-110.27.8176.3-59.7176.5000112.1V190 A224 R225 A232 R234V190-L246 HydrophobicContact CB-CD1 4Å; V190-L246 HydrophobicContact CG1-CD1 4.4Å; V190-L246 HydrophobicContact CG2-CD1 3.71Å; A224-L246 HydrophobicContact CB-CB 3.8Å; R225-L246 PolarHBondContact NH1-O 2.81Å; R225-L246 PolarHBondContact NH2-O 3.16Å; A232-L246 HydrophobicContact CB-CB 4.4Å; A232-L246 HydrophobicContact CB-CD2 4.38Å; R234-L246 HydrophobicContact CB-CD2 3.69Å; R234-L246 HydrophobicContact CG-CD2 4.49Å
247G96.4Very high97Very high41 Ų4132.9 Ų32.942%0.42320%0.198SC..  trans84.4-147.3-176.400000113.3D245 H251D245-G247 PolarHBondContact OD1-N 3.44Å; G247-H251 PolarHBondContact O-NE2 3.19Å
248G93.9Very high96.9Very high33 Ų3338.8 Ų38.834%0.3422%0.219SC..SBendtrans-77.4168.5-174.700000115.5R225 H251R225-G248 PolarHBondContact NH1-O 3.18Å; G248-H251 PolarHBondContact O-CD2 3.49Å; G248-H251 PolarHBondContact O-NE2 3.35Å; G248-H251 VanDerWaalsContact O-NE2 3.12Å
249P93.3Very high96.8Very high49 Ų4938.8 Ų38.832%0.31822%0.219SC..SBendtrans-64.1160.7177.329.4-36.3000113I37 F187 R225I37-P249 HydrophobicContact CD1-CB 4.27Å; I37-P249 HydrophobicContact CD1-CG 3.99Å; F187-P249 HydrophobicContact CB-CB 3.63Å; F187-P249 HydrophobicContact CB-CG 4.29Å; F187-P249 HydrophobicContact CD1-CB 4.15Å; F187-P249 HydrophobicContact CD2-CB 3.92Å; F187-P249 HydrophobicContact CD2-CG 3.72Å; F187-P249 HydrophobicContact CE2-CG 4.24Å; F187-P249 HydrophobicContact CG-CB 3.62Å; F187-P249 HydrophobicContact CG-CG 3.98Å; R225-P249 WeakPolarHBondContact CG-O 3.44Å
250L93Very high96.7Very high44 Ų4436.6 Ų36.623%0.2321%0.214CC..PPolyproline II helixcis-93.8147.32.2-69.9175.7000112.9S36 I37 I165 F187 A224 R225S36-L250 WeakPolarHBondContact OG-CD1 3.46Å; I37-L250 HydrophobicContact CD1-CD2 4.43Å; I37-L250 HydrophobicContact CD1-CG 4.42Å; I37-L250 HydrophobicContact CG1-CD1 4.08Å; I37-L250 HydrophobicContact CG1-CD2 4Å; I37-L250 HydrophobicContact CG1-CG 3.79Å; I165-L250 HydrophobicContact CD1-CD1 4.03Å; I165-L250 HydrophobicContact CD1-CD2 3.53Å; I165-L250 HydrophobicContact CD1-CG 4.47Å; I165-L250 HydrophobicContact CG1-CD2 4Å; F187-L250 HydrophobicContact CD1-CD2 3.36Å; F187-L250 HydrophobicContact CE1-CD2 3.86Å; F187-L250 HydrophobicContact CG-CD2 4.2Å; A224-L250 CarbonylContact C-O 3.54Å; A224-L250 VanDerWaalsContact CA-O 3.26Å; A224-L250 WeakPolarHBondContact CA-O 3.24Å; R225-L250 PolarHBondContact N-O 2.88Å
251H97.6Very high96.7Very high20 Ų2035.4 Ų35.49%0.09321%0.211CC..EExtended strand (participates in β ladder)trans-109.8151-179.9-75.6-145.7000111.2L163 V190 L223 G247 G248L163-H251 HydrophobicContact CD1-CB 3.8Å; V190-H251 HydrophobicContact CG2-CB 3.99Å; V190-H251 PolarHBondContact N-ND1 2.76Å; L223-H251 CarbonylContact O-C 3.58Å; L223-H251 VanDerWaalsContact O-CA 3.26Å; L223-H251 WeakPolarHBondContact O-CA 3.32Å; G247-H251 PolarHBondContact O-NE2 3.19Å; G248-H251 PolarHBondContact O-CD2 3.49Å; G248-H251 PolarHBondContact O-NE2 3.35Å; G248-H251 VanDerWaalsContact O-NE2 3.12Å
252S98.1Very high96.5Very high7 Ų740.1 Ų40.15%0.04924%0.236CC..EExtended strand (participates in β ladder)trans-138.8154.8165.956.40000109.8V190 L223V190-S252 VanDerWaalsContact CG2-O 3.31Å; V190-S252 WeakPolarHBondContact CG2-O 3.48Å; L223-S252 PolarHBondContact N-O 3Å; L223-S252 PolarHBondContact O-N 2.93Å
253L98.8Very high96.5Very high0 Ų039.1 Ų39.10%023%0.227CC..EExtended strand (participates in β ladder)trans-119.5140.3177.9172.372.1000108.6C161 L163 V190 A193 L197 C220 V221 L241 V255C161-L253 WeakPolarHBondContact CA-O 3.24Å; C161-L253 HydrophobicContact CB-CB 4.03Å; C161-L253 HydrophobicContact CB-CG 4.46Å; C161-L253 VanDerWaalsContact CB-O 3.26Å; C161-L253 WeakPolarHBondContact CB-O 3.2Å; C161-L253 PolarHBondContact N-O 2.98Å; C161-L253 PolarHBondContact O-N 3.44Å; L163-L253 HydrophobicContact CD2-CB 4.29Å; V190-L253 HydrophobicContact CG1-CD1 4.13Å; A193-L253 HydrophobicContact CB-CD2 4.38Å; L197-L253 HydrophobicContact CD1-CD2 3.64Å; C220-L253 HydrophobicContact CB-CD1 3.99Å; V221-L253 CarbonylContact O-C 3.48Å; V221-L253 WeakPolarHBondContact O-CA 3.39Å; L241-L253 HydrophobicContact CD1-CD1 3.5Å; L253-V255 HydrophobicContact CD2-CG2 4.4Å
254V98.8Very high96.6Very high0 Ų034.3 Ų34.30%019%0.194CC..EExtended strand (participates in β ladder)trans-115.8127.3167.8-178.40000109.1V117 L122 F127 H158 T159 L160 C220 V221 L223V117-V254 HydrophobicContact CG2-CG2 3.55Å; L122-V254 HydrophobicContact CD1-CB 4.44Å; L122-V254 HydrophobicContact CD1-CG1 3.58Å; F127-V254 HydrophobicContact CE1-CG1 3.7Å; F127-V254 HydrophobicContact CE1-CG2 4.06Å; F127-V254 HydrophobicContact CZ-CG1 4Å; F127-V254 HydrophobicContact CZ-CG2 4.39Å; H158-V254 HydrophobicContact CB-CG1 4.29Å; T159-V254 VanDerWaalsContact O-CA 3.29Å; T159-V254 WeakPolarHBondContact O-CA 3.48Å; L160-V254 HydrophobicContact CD1-CG2 4.2Å; C220-V254 CarbonylContact C-O 3.51Å; C220-V254 WeakPolarHBondContact CA-O 3.3Å; C220-V254 WeakPolarHBondContact CB-O 3.37Å; V221-V254 HydrophobicContact CB-CB 4.16Å; V221-V254 PolarHBondContact N-O 3.26Å; V221-V254 PolarHBondContact O-N 2.9Å; L223-V254 HydrophobicContact CD1-CG2 3.75Å
255V98.7Very high96.7Very high1 Ų137 Ų371%0.00621%0.206CC..EExtended strand (participates in β ladder)trans-95.6118.2168.8-176.30000108I149 H158 T159 L197 V214 T218 L253I149-V255 HydrophobicContact CD1-CG2 4.42Å; I149-V255 HydrophobicContact CG2-CB 3.91Å; I149-V255 HydrophobicContact CG2-CG1 3.72Å; I149-V255 HydrophobicContact CG2-CG2 4.08Å; H158-V255 WeakPolarHBondContact CA-O 3.45Å; T159-V255 PolarHBondContact N-O 3.35Å; T159-V255 PolarHBondContact O-N 3.25Å; L197-V255 HydrophobicContact CD1-CG2 4.47Å; V214-V255 HydrophobicContact CG2-CG1 4.32Å; T218-V255 HydrophobicContact CG2-CG1 4.04Å; L253-V255 HydrophobicContact CD2-CG2 4.4Å
256T98.2Very high96.7Very high0 Ų033.7 Ų33.70%019%0.187CC..  trans-76.4164.1-177.272.10000111.5L122 R153 V219 V221 L259L122-T256 HydrophobicContact CD1-CG2 4.06Å; L122-T256 HydrophobicContact CD2-CG2 4.48Å; R153-T256 PolarHBondContact NH1-O 3.47Å; V219-T256 HydrophobicContact CG1-CG2 4.19Å; V219-T256 WeakPolarHBondContact O-CB 3.34Å; V219-T256 WeakPolarHBondContact O-CG2 3.44Å; V219-T256 PolarHBondContact O-N 2.96Å; V219-T256 PolarHBondContact O-OG1 2.68Å; V221-T256 HydrophobicContact CG2-CG2 4.43Å; T256-L259 HydrophobicContact CG2-CD2 4.25Å
257A96.1Very high96.7Very high1 Ų133.2 Ų33.21%0.00819%0.185CC..  trans-126-128.517800000108.4R153 G156 L157 H158R153-A257 HydrophobicContact CG-CB 4.36Å; R153-A257 VanDerWaalsContact NH1-CA 3.3Å; R153-A257 PolarHBondContact NH1-O 3.19Å; G156-A257 VanDerWaalsContact C-CB 3.4Å; L157-A257 VanDerWaalsContact O-CB 3.24Å; L157-A257 WeakPolarHBondContact O-CB 3.27Å; H158-A257 PolarHBondContact ND1-N 3.03Å
258R94.9Very high96.8Very high134 Ų13437.6 Ų37.651%0.50619%0.189SC..SBendtrans-72.4132.2168.6-70.6178.5-171.8-173.74.6109.1H158 T286 Y287H158-R258 PolarHBondContact CE1-O 3.06Å; H158-R258 VanDerWaalsContact CE1-O 3.23Å; R258-T286 HydrophobicContact CB-CG2 3.66Å; R258-T286 HydrophobicContact CG-CG2 3.9Å; R258-Y287 CarbonylContact C-O 3.54Å; R258-Y287 WeakPolarHBondContact CA-O 3.49Å
259L97.3Very high96.9Very high1 Ų141.9 Ų41.91%0.00520%0.203CC..BIsolated β-bridgetrans-112129.5-175.9-68.9165.9000110.4L122 T256 E263 V264 L267 L279 Y287L122-L259 HydrophobicContact CD2-CD2 3.46Å; L122-L259 VanDerWaalsContact CD2-CD2 3.46Å; T256-L259 HydrophobicContact CG2-CD2 4.25Å; L259-E263 WeakPolarHBondContact CA-OE2 3.38Å; L259-E263 HydrophobicContact CD2-CB 4.12Å; L259-V264 HydrophobicContact CB-CG2 3.82Å; L259-V264 HydrophobicContact CD1-CG2 4.3Å; L259-L267 HydrophobicContact CD1-CD1 4.01Å; L259-L267 HydrophobicContact CD2-CD1 3.88Å; L259-L279 HydrophobicContact CD1-CD1 4.19Å; L259-L279 HydrophobicContact CD1-CD2 4.13Å; L259-Y287 PolarHBondContact N-O 3.09Å; L259-Y287 PolarHBondContact O-N 3.12Å
260H96.4Very high97.1Very high77 Ų7742.8 Ų42.836%0.35621%0.205SC..  trans-71148.5168-174.2-91.1000110.2L262 E263 V264H260-L262 WeakPolarHBondContact ND1-CB 3.18Å; H260-L262 PolarHBondContact ND1-N 3.13Å; H260-L262 VanDerWaalsContact ND1-N 3.14Å; H260-L262 PolarHBondContact O-N 3.35Å; H260-L262 VanDerWaalsContact O-N 3.12Å; H260-E263 HydrophobicContact CB-CG 4.1Å; H260-E263 PolarHBondContact N-OE2 2.92Å; H260-E263 WeakPolarHBondContact O-CA 3.29Å; H260-E263 WeakPolarHBondContact O-CB 3.34Å; H260-E263 PolarHBondContact O-N 3.34Å; H260-V264 PolarHBondContact O-N 3.45Å
261P96.2Very high97.3Very high34 Ų3442.4 Ų42.422%0.22121%0.208CC..Hα-helixtrans-48.9-41.1177.1-29.428.9000114.2E263 V264 D265 S285 Y287P261-E263 VanDerWaalsContact C-N 3.34Å; P261-E263 PolarHBondContact O-N 3.19Å; P261-V264 WeakPolarHBondContact O-CB 3.41Å; P261-V264 PolarHBondContact O-N 3.36Å; P261-D265 PolarHBondContact O-N 2.92Å; P261-S285 WeakPolarHBondContact CD-O 3.39Å; P261-Y287 HydrophobicContact CB-CE2 4.15Å; P261-Y287 HydrophobicContact CG-CD2 4.46Å; P261-Y287 HydrophobicContact CG-CE2 3.99Å
262L96.1Very high97.2Very high99 Ų9942 Ų4252%0.51821%0.208SC..Hα-helixtrans-62.9-37.9175.6-174.964.4000113H260 D265 M266H260-L262 WeakPolarHBondContact ND1-CB 3.18Å; H260-L262 PolarHBondContact ND1-N 3.13Å; H260-L262 VanDerWaalsContact ND1-N 3.14Å; H260-L262 PolarHBondContact O-N 3.35Å; H260-L262 VanDerWaalsContact O-N 3.12Å; L262-D265 PolarHBondContact O-N 3.26Å; L262-M266 WeakPolarHBondContact O-CG 3.37Å; L262-M266 PolarHBondContact O-N 3.02Å
263E97.8Very high97Very high1 Ų146.5 Ų46.51%0.00524%0.237CC..Hα-helixtrans-66.4-41.9175.9-66.2177.6136.500110L122 Q123 H158 L259 H260 P261 D265 M266 L267L122-E263 HydrophobicContact CD2-CB 4.07Å; L122-E263 HydrophobicContact CD2-CG 4.34Å; Q123-E263 WeakPolarHBondContact CB-OE1 3.18Å; Q123-E263 HydrophobicContact CG-CG 4.03Å; Q123-E263 WeakPolarHBondContact CG-OE1 3.2Å; Q123-E263 PolarHBondContact N-OE1 3.46Å; H158-E263 IonicContact NE2-OE1 2.68Å; H158-E263 PolarHBondContact NE2-OE1 3.1Å; H158-E263 IonicContact NE2-OE2 2.63Å; L259-E263 WeakPolarHBondContact CA-OE2 3.38Å; L259-E263 HydrophobicContact CD2-CB 4.12Å; H260-E263 HydrophobicContact CB-CG 4.1Å; H260-E263 PolarHBondContact N-OE2 2.92Å; H260-E263 WeakPolarHBondContact O-CA 3.29Å; H260-E263 WeakPolarHBondContact O-CB 3.34Å; H260-E263 PolarHBondContact O-N 3.34Å; P261-E263 VanDerWaalsContact C-N 3.34Å; P261-E263 PolarHBondContact O-N 3.19Å; E263-D265 VanDerWaalsContact C-N 3.33Å; E263-D265 PolarHBondContact O-N 2.84Å; E263-M266 PolarHBondContact O-N 2.88Å; E263-L267 WeakPolarHBondContact O-CB 3.2Å; E263-L267 VanDerWaalsContact O-CG 3.24Å; E263-L267 WeakPolarHBondContact O-CG 3.41Å; E263-L267 PolarHBondContact O-N 2.75Å
264V97.4Very high96.7Very high1 Ų151.3 Ų51.31%0.00626%0.263CS..Hα-helixtrans-59.5-44.8174.2-178.70000111L259 H260 P261 M266 L267 R268 L279 Y287L259-V264 HydrophobicContact CB-CG2 3.82Å; L259-V264 HydrophobicContact CD1-CG2 4.3Å; H260-V264 PolarHBondContact O-N 3.45Å; P261-V264 WeakPolarHBondContact O-CB 3.41Å; P261-V264 PolarHBondContact O-N 3.36Å; V264-M266 VanDerWaalsContact C-N 3.32Å; V264-M266 PolarHBondContact O-N 2.78Å; V264-L267 PolarHBondContact O-N 3Å; V264-R268 WeakPolarHBondContact O-CG 3.44Å; V264-R268 PolarHBondContact O-N 3.28Å; V264-L279 HydrophobicContact CG1-CD1 3.88Å; V264-L279 HydrophobicContact CG2-CD1 4.02Å; V264-Y287 HydrophobicContact CG2-CD2 3.69Å; V264-Y287 HydrophobicContact CG2-CE2 4.24Å; V264-Y287 HydrophobicContact CG2-CG 3.88Å
265D96.8Very high96.5Very high81 Ų8151.3 Ų51.343%0.43326%0.263SS..Hα-helixtrans-61.1-40.9177.3-69.4-16.7000111.8P261 L262 E263 R268P261-D265 PolarHBondContact O-N 2.92Å; L262-D265 PolarHBondContact O-N 3.26Å; E263-D265 VanDerWaalsContact C-N 3.33Å; E263-D265 PolarHBondContact O-N 2.84Å; D265-R268 WeakPolarHBondContact O-CB 3.44Å; D265-R268 PolarHBondContact O-N 3.03Å; D265-R268 IonicContact OD1-CZ 3.19Å; D265-R268 IonicContact OD1-NH1 3.69Å; D265-R268 PolarHBondContact OD1-NH1 3.4Å
266M97.8Very high96.4Very high70 Ų7052.3 Ų52.335%0.34527%0.268SS..Hα-helixtrans-67.4-42.6175-76.6-65.7-63.200112.7L262 E263 V264 R268 L269L262-M266 WeakPolarHBondContact O-CG 3.37Å; L262-M266 PolarHBondContact O-N 3.02Å; E263-M266 PolarHBondContact O-N 2.88Å; V264-M266 VanDerWaalsContact C-N 3.32Å; V264-M266 PolarHBondContact O-N 2.78Å; M266-R268 PolarHBondContact O-N 3.34Å; M266-L269 HydrophobicContact CE-CD1 4.18Å; M266-L269 WeakPolarHBondContact O-CB 3.24Å; M266-L269 WeakPolarHBondContact O-CG 3.2Å; M266-L269 PolarHBondContact O-N 3.28Å; M266-L269 VanDerWaalsContact O-N 3.15Å; M266-L269 HydrophobicContact SD-CD1 3.93Å
267L98.1Very high96.1Very high3 Ų359.1 Ų59.12%0.01630%0.3CS..Hα-helixtrans-61.3-33.8178.2-70.3177.1000111.5L122 V219 V221 A235 L259 E263 V264 L269 N270 A271 L276L122-L267 HydrophobicContact CD2-CD1 4.16Å; L122-L267 HydrophobicContact CD2-CD2 4.25Å; L122-L267 HydrophobicContact CD2-CG 4.36Å; L122-L267 HydrophobicContact CG-CD2 4.42Å; V219-L267 HydrophobicContact CG1-CD1 4.34Å; V221-L267 HydrophobicContact CG2-CD2 3.49Å; V221-L267 VanDerWaalsContact CG2-CD2 3.49Å; A235-L267 HydrophobicContact CB-CB 4.04Å; A235-L267 HydrophobicContact CB-CD2 3.92Å; L259-L267 HydrophobicContact CD1-CD1 4.01Å; L259-L267 HydrophobicContact CD2-CD1 3.88Å; E263-L267 WeakPolarHBondContact O-CB 3.2Å; E263-L267 VanDerWaalsContact O-CG 3.24Å; E263-L267 WeakPolarHBondContact O-CG 3.41Å; E263-L267 PolarHBondContact O-N 2.75Å; V264-L267 PolarHBondContact O-N 3Å; L267-L269 PolarHBondContact O-N 3.46Å; L267-N270 CarbonylContact O-C 3.59Å; L267-N270 PolarHBondContact O-N 3.49Å; L267-N270 VanDerWaalsContact O-N 3.13Å; L267-A271 PolarHBondContact O-N 3.1Å; L267-A271 VanDerWaalsContact O-N 3.1Å; L267-L276 HydrophobicContact CB-CD1 4.05Å
268R97.4Very high96Very high134 Ų13461.7 Ų61.751%0.50631%0.312SS..Hα-helixtrans-58.3-30176.7-76.4178.4-168.3134.910.2113.6V264 D265 M266 N270 A271 L276V264-R268 WeakPolarHBondContact O-CG 3.44Å; V264-R268 PolarHBondContact O-N 3.28Å; D265-R268 WeakPolarHBondContact O-CB 3.44Å; D265-R268 PolarHBondContact O-N 3.03Å; D265-R268 IonicContact OD1-CZ 3.19Å; D265-R268 IonicContact OD1-NH1 3.69Å; D265-R268 PolarHBondContact OD1-NH1 3.4Å; M266-R268 PolarHBondContact O-N 3.34Å; R268-N270 PolarHBondContact O-N 2.9Å; R268-A271 PolarHBondContact O-N 3.02Å; R268-L276 HydrophobicContact CB-CD1 4.42Å; R268-L276 HydrophobicContact CG-CD1 3.62Å
269L97.1Very high96Very high123 Ų12356.3 Ų56.364%0.64429%0.293SS*.THydrogen-bonded Turntrans-60.1-28.3179.3-60.1177.1000112.4M266 L267M266-L269 HydrophobicContact CE-CD1 4.18Å; M266-L269 WeakPolarHBondContact O-CB 3.24Å; M266-L269 WeakPolarHBondContact O-CG 3.2Å; M266-L269 PolarHBondContact O-N 3.28Å; M266-L269 VanDerWaalsContact O-N 3.15Å; M266-L269 HydrophobicContact SD-CD1 3.93Å; L267-L269 PolarHBondContact O-N 3.46Å
270N96.3Very high95.8Very high68 Ų6865.4 Ų65.436%0.36433%0.327SS..THydrogen-bonded Turntrans-126.820.9-176.4-64.2-69.3000112.2V233 R234 A235 L267 R268V233-N270 HydrophobicContact CB-CB 4.47Å; V233-N270 HydrophobicContact CG1-CB 4.25Å; R234-N270 WeakPolarHBondContact CA-O 3.22Å; R234-N270 WeakPolarHBondContact CD-O 3.43Å; A235-N270 PolarHBondContact N-O 2.77Å; L267-N270 CarbonylContact O-C 3.59Å; L267-N270 PolarHBondContact O-N 3.49Å; L267-N270 VanDerWaalsContact O-N 3.13Å; R268-N270 PolarHBondContact O-N 2.9Å
271A97.4Very high95.6Very high35 Ų3566.7 Ų66.729%0.28934%0.335SS..BIsolated β-bridgetrans-77.2137.3-175.400000112.3A235 L267 R268 L276A235-A271 HydrophobicContact CB-CB 4.47Å; A235-A271 CarbonylContact O-C 3.29Å; A235-A271 VanDerWaalsContact O-CA 3.24Å; A235-A271 WeakPolarHBondContact O-CA 3.33Å; L267-A271 PolarHBondContact O-N 3.1Å; L267-A271 VanDerWaalsContact O-N 3.1Å; R268-A271 PolarHBondContact O-N 3.02Å; A271-L276 HydrophobicContact CB-CD1 3.9Å; A271-L276 HydrophobicContact CB-CG 4.14Å
272A95.9Very high95.3Very high12 Ų1269.3 Ų69.310%0.09935%0.346CS..PPolyproline II helixtrans-62.9154.8162.200000110.1A235 A236 D274 A275A235-A272 PolarHBondContact O-N 2.91Å; A236-A272 HydrophobicContact CB-CB 3.76Å; A272-D274 PolarHBondContact O-N 2.95Å; A272-A275 HydrophobicContact CB-CB 4.19Å; A272-A275 WeakPolarHBondContact O-CB 3.37Å; A272-A275 PolarHBondContact O-N 3.11Å
273P93.9Very high95Very high101 Ų10168 Ų6866%0.65634%0.339SS*.THydrogen-bonded Turntrans-49.8135.5173.8-27.235.5000111.5Q240 A275Q240-P273 PolarHBondContact NE2-O 3.28Å; P273-A275 PolarHBondContact O-N 2.76Å
274D93.1Very high94.4Very high101 Ų10173.3 Ų73.354%0.5438%0.377SS..THydrogen-bonded Turntrans61.10.2176.8-45.8-40.6000116.3A272 L276 Q277A272-D274 PolarHBondContact O-N 2.95Å; D274-L276 PolarHBondContact O-N 3.13Å; D274-Q277 HydrophobicContact CB-CG 4.38Å; D274-Q277 PolarHBondContact O-N 2.67Å; D274-Q277 VanDerWaalsContact OD1-CD 3.31Å; D274-Q277 PolarHBondContact OD1-NE2 2.95Å
275A94.3Very high94Very high0 Ų075.8 Ų75.80%039%0.394CS..THydrogen-bonded Turntrans-57.1-31.1-17400000114.4A272 P273 H278A272-A275 HydrophobicContact CB-CB 4.19Å; A272-A275 WeakPolarHBondContact O-CB 3.37Å; A272-A275 PolarHBondContact O-N 3.11Å; P273-A275 PolarHBondContact O-N 2.76Å; A275-H278 PolarHBondContact O-CE1 3.06Å; A275-H278 PolarHBondContact O-ND1 2.78Å
276L96Very high93.8Very high23 Ų2372.9 Ų72.912%0.1238%0.38CS..THydrogen-bonded Turntrans-109.32.6-173.3-53.8-178.4000112.9V219 L267 R268 A271 D274 H278 L279V219-L276 HydrophobicContact CB-CD2 4.46Å; V219-L276 HydrophobicContact CG1-CD2 3.66Å; V219-L276 HydrophobicContact CG2-CD2 3.89Å; L267-L276 HydrophobicContact CB-CD1 4.05Å; R268-L276 HydrophobicContact CB-CD1 4.42Å; R268-L276 HydrophobicContact CG-CD1 3.62Å; A271-L276 HydrophobicContact CB-CD1 3.9Å; A271-L276 HydrophobicContact CB-CG 4.14Å; D274-L276 PolarHBondContact O-N 3.13Å; L276-H278 VanDerWaalsContact C-N 3.31Å; L276-H278 PolarHBondContact O-N 3.35Å; L276-L279 HydrophobicContact CB-CD1 4.02Å; L276-L279 HydrophobicContact CB-CG 4.42Å; L276-L279 HydrophobicContact CD2-CD1 4.14Å; L276-L279 WeakPolarHBondContact O-CB 3.46Å; L276-L279 WeakPolarHBondContact O-CG 3.37Å; L276-L279 PolarHBondContact O-N 3.49Å
277Q92.4Very high93.7Very high143 Ų14371.6 Ų71.667%0.66837%0.371SS*.THydrogen-bonded Turntrans-69.4-27.8-173.8-75.3179.7-0.500113.7D274 L279D274-Q277 HydrophobicContact CB-CG 4.38Å; D274-Q277 PolarHBondContact O-N 2.67Å; D274-Q277 VanDerWaalsContact OD1-CD 3.31Å; D274-Q277 PolarHBondContact OD1-NE2 2.95Å; Q277-L279 VanDerWaalsContact C-N 3.31Å
278H92.9Very high93.3Very high54 Ų5473.3 Ų73.325%0.2538%0.382CS..THydrogen-bonded Turntrans-86.1-3.1-179.167.3-85.8000112.9D217 A275 L276 R280 S289D217-H278 PolarHBondContact O-CE1 3.15Å; D217-H278 PolarHBondContact O-NE2 3.46Å; A275-H278 PolarHBondContact O-CE1 3.06Å; A275-H278 PolarHBondContact O-ND1 2.78Å; L276-H278 VanDerWaalsContact C-N 3.31Å; L276-H278 PolarHBondContact O-N 3.35Å; H278-R280 PolarHBondContact O-N 3.5Å; H278-S289 VanDerWaalsContact NE2-CB 3.32Å; H278-S289 WeakPolarHBondContact NE2-CB 3.25Å
279L94.4Very high92.8Very high22 Ų2268.8 Ų68.812%0.11537%0.37CS..  trans-60131.5176.2-70.9-177000110.4V219 L259 V264 L276 Q277 Y287 T288V219-L279 HydrophobicContact CG2-CD2 3.9Å; V219-L279 HydrophobicContact CG2-CG 4.44Å; L259-L279 HydrophobicContact CD1-CD1 4.19Å; L259-L279 HydrophobicContact CD1-CD2 4.13Å; V264-L279 HydrophobicContact CG1-CD1 3.88Å; V264-L279 HydrophobicContact CG2-CD1 4.02Å; L276-L279 HydrophobicContact CB-CD1 4.02Å; L276-L279 HydrophobicContact CB-CG 4.42Å; L276-L279 HydrophobicContact CD2-CD1 4.14Å; L276-L279 WeakPolarHBondContact O-CB 3.46Å; L276-L279 WeakPolarHBondContact O-CG 3.37Å; L276-L279 PolarHBondContact O-N 3.49Å; Q277-L279 VanDerWaalsContact C-N 3.31Å; L279-Y287 HydrophobicContact CB-CD1 4.11Å; L279-T288 WeakPolarHBondContact CA-O 3.44Å
280R93.1Very high92.6Very high191 Ų19166.1 Ų66.172%0.72136%0.357SS*.EExtended strand (participates in β ladder)trans-114133.7177.9-61.2-178.6-173175.92.9110.1H278 Y287 T288H278-R280 PolarHBondContact O-N 3.5Å; R280-Y287 CarbonylContact O-C 3.45Å; R280-Y287 VanDerWaalsContact O-CA 3.29Å; R280-Y287 WeakPolarHBondContact O-CA 3.24Å; R280-T288 PolarHBondContact N-O 2.78Å; R280-T288 PolarHBondContact O-N 3.39Å
281M92.3Very high92.4Very high104 Ų10465.9 Ų65.951%0.51236%0.356SS..EExtended strand (participates in β ladder)trans-77.7121.1171.4-172.2-179.1-65.400108.7D283 T286 Y287M281-D283 WeakPolarHBondContact CG-O 3.44Å; M281-T286 CarbonylContact C-O 3.52Å; M281-T286 WeakPolarHBondContact CA-O 3.49Å; M281-Y287 HydrophobicContact CB-CD1 4.21Å; M281-Y287 HydrophobicContact CB-CE1 4.05Å; M281-Y287 HydrophobicContact CE-CE1 4Å; M281-Y287 HydrophobicContact CE-CE2 3.89Å; M281-Y287 WeakPolarHBondContact CE-OH 3.49Å
282I91.1Very high92.1Very high90 Ų9067.7 Ų67.746%0.46236%0.36SS..EExtended strand (participates in β ladder)trans-96.3-24.217960.3174.2000112.2T286 T288I282-T286 HydrophobicContact CD1-CG2 3.69Å; I282-T286 HydrophobicContact CG1-CG2 3.78Å; I282-T286 PolarHBondContact N-O 3.06Å; I282-T288 HydrophobicContact CG2-CG2 3.73Å
283D90.4Very high91.9Very high70 Ų7070.9 Ų70.937%0.37438%0.375SS..EExtended strand (participates in β ladder)trans-152.5178.3171.464.555.5000109.9M281 S285 T286M281-D283 WeakPolarHBondContact CG-O 3.44Å; D283-S285 PolarHBondContact O-N 3.44Å; D283-S285 WeakPolarHBondContact OD1-CA 3.35Å; D283-S285 PolarHBondContact OD1-N 3.16Å; D283-S285 PolarHBondContact OD1-OG 2.66Å; D283-T286 VanDerWaalsContact CG-OG1 3.26Å; D283-T286 PolarHBondContact O-N 3.46Å; D283-T286 VanDerWaalsContact OD1-CB 3.3Å; D283-T286 WeakPolarHBondContact OD1-CB 3.27Å; D283-T286 PolarHBondContact OD1-N 3.41Å; D283-T286 PolarHBondContact OD1-OG1 3.47Å; D283-T286 WeakPolarHBondContact OD2-CB 3.48Å; D283-T286 PolarHBondContact OD2-OG1 3.23Å
284S83.9Confident91.8Very high114 Ų11469.1 Ų69.180%0.79736%0.358SS*.THydrogen-bonded Turntrans-57.5-11.7-175.852.40000115.9
285S89.7Confident91.7Very high52 Ų5266.9 Ų66.936%0.36435%0.346SS..THydrogen-bonded Turntrans-137.17.7-171.847.30000114.2P261 D283P261-S285 WeakPolarHBondContact CD-O 3.39Å; D283-S285 PolarHBondContact O-N 3.44Å; D283-S285 WeakPolarHBondContact OD1-CA 3.35Å; D283-S285 PolarHBondContact OD1-N 3.16Å; D283-S285 PolarHBondContact OD1-OG 2.66Å
286T92.3Very high91.5Very high21 Ų2171.7 Ų71.713%0.12937%0.37CS..EExtended strand (participates in β ladder)trans-139.7128.2-171.7-48.10000112.5R258 M281 I282 D283R258-T286 HydrophobicContact CB-CG2 3.66Å; R258-T286 HydrophobicContact CG-CG2 3.9Å; M281-T286 CarbonylContact C-O 3.52Å; M281-T286 WeakPolarHBondContact CA-O 3.49Å; I282-T286 HydrophobicContact CD1-CG2 3.69Å; I282-T286 HydrophobicContact CG1-CG2 3.78Å; I282-T286 PolarHBondContact N-O 3.06Å; D283-T286 VanDerWaalsContact CG-OG1 3.26Å; D283-T286 PolarHBondContact O-N 3.46Å; D283-T286 VanDerWaalsContact OD1-CB 3.3Å; D283-T286 WeakPolarHBondContact OD1-CB 3.27Å; D283-T286 PolarHBondContact OD1-N 3.41Å; D283-T286 PolarHBondContact OD1-OG1 3.47Å; D283-T286 WeakPolarHBondContact OD2-CB 3.48Å; D283-T286 PolarHBondContact OD2-OG1 3.23Å
287Y94.9Very high91.2Very high43 Ų4375.5 Ų75.517%0.16939%0.39CS..EExtended strand (participates in β ladder)trans-107.3152.5169.1-69.5-97.1000111.3R258 L259 P261 V264 L279 R280 M281R258-Y287 CarbonylContact C-O 3.54Å; R258-Y287 WeakPolarHBondContact CA-O 3.49Å; L259-Y287 PolarHBondContact N-O 3.09Å; L259-Y287 PolarHBondContact O-N 3.12Å; P261-Y287 HydrophobicContact CB-CE2 4.15Å; P261-Y287 HydrophobicContact CG-CD2 4.46Å; P261-Y287 HydrophobicContact CG-CE2 3.99Å; V264-Y287 HydrophobicContact CG2-CD2 3.69Å; V264-Y287 HydrophobicContact CG2-CE2 4.24Å; V264-Y287 HydrophobicContact CG2-CG 3.88Å; L279-Y287 HydrophobicContact CB-CD1 4.11Å; R280-Y287 CarbonylContact O-C 3.45Å; R280-Y287 VanDerWaalsContact O-CA 3.29Å; R280-Y287 WeakPolarHBondContact O-CA 3.24Å; M281-Y287 HydrophobicContact CB-CD1 4.21Å; M281-Y287 HydrophobicContact CB-CE1 4.05Å; M281-Y287 HydrophobicContact CE-CE1 4Å; M281-Y287 HydrophobicContact CE-CE2 3.89Å; M281-Y287 WeakPolarHBondContact CE-OH 3.49Å
288T91.4Very high91Very high39 Ų3969.8 Ų69.824%0.23937%0.366CS..EExtended strand (participates in β ladder)trans-135.4144.1165-170.60000109.8L279 R280 I282L279-T288 WeakPolarHBondContact CA-O 3.44Å; R280-T288 PolarHBondContact N-O 2.78Å; R280-T288 PolarHBondContact O-N 3.39Å; I282-T288 HydrophobicContact CG2-CG2 3.73Å
289S86.2Confident90.9Very high38 Ų3871.3 Ų71.327%0.26638%0.377SS..  trans-77.10157.761.60000110.3R153 V219 H278R153-S289 PolarHBondContact NH2-O 2.76Å; R153-S289 PolarHBondContact NH2-OG 3.43Å; V219-S289 PolarHBondContact N-OG 3.32Å; H278-S289 VanDerWaalsContact NE2-CB 3.32Å; H278-S289 WeakPolarHBondContact NE2-CB 3.25Å

Retrieved 289 of 289 residues in 1558.4 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).