A0A093H2T6_STRCA Loading...

Guanine nucleotide-binding protein subunit beta-like 1

AlphaFold DB , UniProt , Accession A0A093H2T6, Species STRCA (Struthio camelus australis), Gene n/a, Length 328 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M46.2Very low78Confident244 Ų24495.7 Ų95.7100%1.20255%0.548SS*.  0135.80-77.6171.217100107.8L3M1-L3 PolarHBondContact O-N 3.43Å
2A49.9Very low79.6Confident99 Ų9987.8 Ų87.882%0.81850%0.503SS*.PPolyproline II helixtrans-64.1134.1170.200000108.1
3L59.5Low80.9Confident164 Ų16492.2 Ų92.286%0.85951%0.506SS*.PPolyproline II helixtrans-59.8138.9173.8-74.8163.5000108.6M1M1-L3 PolarHBondContact O-N 3.43Å
4P67.6Low81.5Confident104 Ų10488.9 Ų88.968%0.67550%0.503SS*.PPolyproline II helixtrans-58.715117326.5-33.2000109.6
5P71.9Confident82Confident57 Ų5783.1 Ų83.137%0.3747%0.47SS..PPolyproline II helixtrans-57.2142.7173.625.8-31.9000109.2V286 D288P5-V286 VanDerWaalsContact CB-O 3.29Å; P5-V286 WeakPolarHBondContact CB-O 3.45Å; P5-D288 HydrophobicContact CB-CB 4.33Å; P5-D288 HydrophobicContact CG-CB 3.84Å
6P85.1Confident82.6Confident73 Ų7383.8 Ų83.847%0.47448%0.482SS..PPolyproline II helixtrans-60.7154.8177.427.8-34.3000109.8L287 W322P6-L287 HydrophobicContact CG-CD2 3.94Å; P6-W322 VanDerWaalsContact O-CZ3 3.24Å; P6-W322 WeakPolarHBondContact O-CZ3 3.48Å
7D91.4Very high83.5Confident136 Ų13679.4 Ų79.473%0.72746%0.458SS*.PPolyproline II helixtrans-81.1156.6168.2-76.6-44.2000110.8
8P96.3Very high84.3Confident20 Ų2074.9 Ų74.913%0.1343%0.433CS..PPolyproline II helixtrans-58.1145.7169.5-15.124.9000110.9F10 V11 Y289 I321 W322P8-F10 VanDerWaalsContact C-N 3.26Å; P8-F10 PolarHBondContact O-N 2.87Å; P8-V11 HydrophobicContact CB-CG2 4.04Å; P8-V11 HydrophobicContact CG-CG2 4.09Å; P8-Y289 HydrophobicContact CG-CD1 3.88Å; P8-Y289 HydrophobicContact CG-CD2 3.57Å; P8-Y289 HydrophobicContact CG-CE1 4.28Å; P8-Y289 HydrophobicContact CG-CE2 4.01Å; P8-Y289 HydrophobicContact CG-CG 3.51Å; P8-I321 CarbonylContact C-O 3.59Å; P8-I321 WeakPolarHBondContact CA-O 3.39Å; P8-I321 WeakPolarHBondContact CB-O 3.25Å; P8-W322 HydrophobicContact CB-CD2 4.25Å; P8-W322 HydrophobicContact CB-CE3 4.29Å; P8-W322 HydrophobicContact CB-CH2 4.22Å; P8-W322 HydrophobicContact CB-CZ2 4.19Å; P8-W322 HydrophobicContact CB-CZ3 4.26Å; P8-W322 HydrophobicContact CG-CE3 4.47Å; P8-W322 HydrophobicContact CG-CH2 3.55Å; P8-W322 HydrophobicContact CG-CZ2 3.66Å; P8-W322 HydrophobicContact CG-CZ3 3.98Å
9E95.1Very high85.1Confident98 Ų9871 Ų7146%0.45841%0.41SS..SBendtrans-62.3-40.2173.4-170.1-176.7158.100110.8L309 I321 S323E9-L309 WeakPolarHBondContact OE2-CD2 3.24Å; E9-I321 PolarHBondContact N-O 3.5Å; E9-S323 WeakPolarHBondContact OE2-CB 3.23Å
10F97Very high85.8Confident22 Ų2269 Ų6910%0.09640%0.397CS..EExtended strand (participates in β ladder)trans-160.3172.6166.758.4-86.1000110.7P8 L12 L50 R53 I321P8-F10 VanDerWaalsContact C-N 3.26Å; P8-F10 PolarHBondContact O-N 2.87Å; F10-L12 HydrophobicContact CD2-CD2 4.08Å; F10-L12 HydrophobicContact CD2-CG 4.36Å; F10-L12 HydrophobicContact CE2-CD2 3.88Å; F10-L12 HydrophobicContact CE2-CG 4.17Å; F10-L50 HydrophobicContact CE2-CD2 4.36Å; F10-L50 HydrophobicContact CZ-CD2 4.3Å; F10-R53 HydrophobicContact CD2-CB 4.34Å; F10-R53 HydrophobicContact CD2-CG 3.93Å; F10-R53 HydrophobicContact CE2-CB 4.47Å; F10-R53 HydrophobicContact CE2-CG 3.95Å; F10-R53 HydrophobicContact CG-CG 4.37Å; F10-R53 HydrophobicContact CZ-CG 4.43Å; F10-I321 HydrophobicContact CD1-CB 4.25Å; F10-I321 HydrophobicContact CD1-CG2 4.27Å; F10-I321 HydrophobicContact CD2-CB 4.05Å; F10-I321 HydrophobicContact CD2-CG1 3.92Å; F10-I321 HydrophobicContact CE1-CB 4.01Å; F10-I321 HydrophobicContact CE1-CG2 3.63Å; F10-I321 HydrophobicContact CE2-CB 3.82Å; F10-I321 HydrophobicContact CE2-CG1 3.48Å; F10-I321 VanDerWaalsContact CE2-CG1 3.48Å; F10-I321 HydrophobicContact CE2-CG2 4.07Å; F10-I321 HydrophobicContact CG-CB 4.28Å; F10-I321 HydrophobicContact CZ-CB 3.8Å; F10-I321 HydrophobicContact CZ-CG1 3.85Å; F10-I321 HydrophobicContact CZ-CG2 3.52Å; F10-I321 PolarHBondContact N-O 3.37Å; F10-I321 PolarHBondContact O-N 2.8Å
11V97.8Very high86.4Confident36 Ų3666 Ų6622%0.21838%0.379CS..EExtended strand (participates in β ladder)trans-132.2127-176-1790000108.8P8 R13 Y289 R318 I319P8-V11 HydrophobicContact CB-CG2 4.04Å; P8-V11 HydrophobicContact CG-CG2 4.09Å; V11-R13 HydrophobicContact CG1-CG 4.23Å; V11-Y289 HydrophobicContact CG1-CE1 4.21Å; V11-Y289 WeakPolarHBondContact CG1-OH 3.33Å; V11-Y289 HydrophobicContact CG2-CE1 3.9Å; V11-Y289 HydrophobicContact CG2-CE2 4.21Å; V11-Y289 WeakPolarHBondContact CG2-OH 3.33Å; V11-R318 HydrophobicContact CG1-CB 4.11Å; V11-I319 WeakPolarHBondContact CA-O 3.29Å
12L97.9Very high88.9Confident1 Ų155 Ų551%0.00533%0.325CS..EExtended strand (participates in β ladder)trans-89132.1174.2-57172.1000109.5F10 L36 W48 L50 R53 I319 I321F10-L12 HydrophobicContact CD2-CD2 4.08Å; F10-L12 HydrophobicContact CD2-CG 4.36Å; F10-L12 HydrophobicContact CE2-CD2 3.88Å; F10-L12 HydrophobicContact CE2-CG 4.17Å; L12-L36 HydrophobicContact CD1-CD2 3.86Å; L12-W48 HydrophobicContact CB-CD2 4.26Å; L12-W48 HydrophobicContact CB-CE3 3.75Å; L12-W48 HydrophobicContact CB-CH2 4.09Å; L12-W48 HydrophobicContact CB-CZ3 3.64Å; L12-W48 HydrophobicContact CD1-CB 4.08Å; L12-W48 HydrophobicContact CD1-CD2 3.86Å; L12-W48 HydrophobicContact CD1-CE3 3.92Å; L12-W48 HydrophobicContact CD1-CG 3.95Å; L12-W48 HydrophobicContact CD2-CE3 3.98Å; L12-W48 HydrophobicContact CD2-CZ3 4.42Å; L12-W48 HydrophobicContact CG-CE3 4.1Å; L12-W48 HydrophobicContact CG-CZ3 4.45Å; L12-L50 HydrophobicContact CD1-CD2 4.12Å; L12-R53 HydrophobicContact CD2-CB 4.03Å; L12-I319 HydrophobicContact CB-CB 4.17Å; L12-I319 HydrophobicContact CD1-CG2 4.48Å; L12-I319 PolarHBondContact N-O 2.97Å; L12-I319 PolarHBondContact O-N 3.44Å; L12-I321 HydrophobicContact CD1-CD1 4.25Å; L12-I321 HydrophobicContact CD1-CG1 4.24Å; L12-I321 HydrophobicContact CG-CG1 4.29Å
13R95.8Very high91.1Very high145 Ų14552 Ų5255%0.54729%0.294SS..EExtended strand (participates in β ladder)trans-129.8132.3-177.4-60.1174.3-176.2-90.9-3107.7V11 Y289 R318V11-R13 HydrophobicContact CG1-CG 4.23Å; R13-Y289 PolarHBondContact NH2-OH 2.83Å; R13-R318 VanDerWaalsContact NH2-NH1 3.19Å
14G89.3Confident92.9Very high45 Ų4544.4 Ų44.446%0.46425%0.254SS..  trans153.1-14.4-179.900000115.8S16G14-S16 PolarHBondContact O-N 2.84Å
15T89.1Confident94.1Very high2 Ų240.1 Ų40.11%0.01223%0.227CC..  trans-65.4-28.1-178.358.40000113.7A17 V19 N42 W48 H317 I319T15-A17 PolarHBondContact O-N 3.05Å; T15-A17 PolarHBondContact OG1-O 3.03Å; T15-V19 HydrophobicContact CG2-CG2 3.68Å; T15-N42 PolarHBondContact O-ND2 3.3Å; T15-N42 VanDerWaalsContact O-ND2 3.09Å; T15-W48 HydrophobicContact CG2-CH2 4.3Å; T15-W48 HydrophobicContact CG2-CZ2 3.57Å; T15-H317 PolarHBondContact OG1-O 3.47Å; T15-I319 HydrophobicContact CG2-CD1 4.39Å
16S92.4Very high94.9Very high94 Ų9438.3 Ų38.366%0.65722%0.216SC*.  trans57.57-174.469.20000115.6G14 N42G14-S16 PolarHBondContact O-N 2.84Å; S16-N42 PolarHBondContact OG-ND2 2.8Å
17A97.6Very high94.1Very high9 Ų938 Ų387%0.07423%0.226CC..SBendtrans-153.2169.7-179.200000110.6T15 E41 N42 H317T15-A17 PolarHBondContact O-N 3.05Å; T15-A17 PolarHBondContact OG1-O 3.03Å; A17-E41 HydrophobicContact CB-CB 4.24Å; A17-N42 HydrophobicContact CB-CB 3.81Å; A17-H317 WeakPolarHBondContact O-CA 3.05Å; A17-H317 WeakPolarHBondContact O-CB 3.5Å
18A98.3Very high92.9Very high0 Ų033.8 Ų33.80%021%0.214CC..  trans-58139.6178.100000111.4S40 E41 K315 H317A18-S40 CarbonylContact O-C 3.56Å; A18-S40 VanDerWaalsContact O-CA 3.3Å; A18-S40 WeakPolarHBondContact O-CA 3.29Å; A18-E41 HydrophobicContact CB-CB 4.02Å; A18-E41 WeakPolarHBondContact CB-OE2 3.43Å; A18-E41 PolarHBondContact O-N 2.94Å; A18-K315 HydrophobicContact CB-CB 4.4Å; A18-K315 HydrophobicContact CB-CG 4.26Å; A18-H317 PolarHBondContact N-CD2 3.18Å
19V98.6Very high91Very high0 Ų041.4 Ų41.40%025%0.248CC..EExtended strand (participates in β ladder)trans-99.7117.1180-171.50000109.2T15 L22 H295 G313 S314 I319T15-V19 HydrophobicContact CG2-CG2 3.68Å; V19-L22 HydrophobicContact CG1-CD2 4Å; V19-L22 HydrophobicContact CG1-CG 4.35Å; V19-H295 WeakPolarHBondContact O-CB 3.08Å; V19-G313 CarbonylContact O-C 3.53Å; V19-S314 PolarHBondContact N-O 2.69Å; V19-I319 HydrophobicContact CB-CG1 4.41Å; V19-I319 HydrophobicContact CG1-CD1 4.22Å; V19-I319 HydrophobicContact CG1-CG1 4.06Å; V19-I319 HydrophobicContact CG2-CD1 4.44Å; V19-I319 HydrophobicContact CG2-CG1 3.96Å
20H98.4Very high89.1Confident31 Ų3145 Ų4514%0.14427%0.265CS..EExtended strand (participates in β ladder)trans-103.3-19.9-173-70-52.9000114.7G39 S66 V67 R113 H295 C296H20-G39 PolarHBondContact N-O 2.79Å; H20-S66 PolarHBondContact CD2-OG 2.88Å; H20-S66 PolarHBondContact NE2-OG 3.32Å; H20-V67 WeakPolarHBondContact CB-O 3.39Å; H20-R113 PolarHBondContact O-NH2 2.95Å; H20-H295 AromaticContact CE1-CD2 3.87Å; H20-H295 AromaticContact CE1-NE2 3.73Å; H20-H295 AromaticContact ND1-CD2 3.45Å; H20-H295 PolarHBondContact ND1-CD2 2.77Å; H20-H295 AromaticContact ND1-CG 3.62Å; H20-H295 AromaticContact ND1-ND1 3.99Å; H20-H295 AromaticContact ND1-NE2 3.75Å; H20-C296 VanDerWaalsContact C-SG 3.56Å; H20-C296 WeakPolarHBondContact O-CB 3.5Å
21T98.5Very high86.9Confident6 Ų649.5 Ų49.54%0.03730%0.296CS..EExtended strand (participates in β ladder)trans-152.4150.5-177.6-1760000111S38 G39 Y68 V70 C296T21-S38 VanDerWaalsContact O-CA 3.31Å; T21-S38 WeakPolarHBondContact O-CA 3.1Å; T21-G39 PolarHBondContact O-N 3.26Å; T21-Y68 WeakPolarHBondContact CB-O 3.37Å; T21-V70 HydrophobicContact CG2-CB 4.37Å; T21-V70 HydrophobicContact CG2-CG1 4Å; T21-V70 HydrophobicContact CG2-CG2 3.82Å; T21-V70 PolarHBondContact OG1-N 3.12Å; T21-C296 VanDerWaalsContact CA-SG 3.6Å; T21-C296 PolarHBondContact N-SG 3.2Å
22L98.6Very high85.5Confident12 Ų1251.1 Ų51.16%0.06330%0.304CS..EExtended strand (participates in β ladder)trans-141.7138.1-177.7-69.8172.5000109.6V19 L36 F37 A311 G313 I319V19-L22 HydrophobicContact CG1-CD2 4Å; V19-L22 HydrophobicContact CG1-CG 4.35Å; L22-L36 HydrophobicContact CB-CD1 4.23Å; L22-L36 HydrophobicContact CD2-CD1 4.16Å; L22-L36 HydrophobicContact CD2-CD2 4.13Å; L22-L36 HydrophobicContact CD2-CG 4.23Å; L22-F37 WeakPolarHBondContact CA-O 3.42Å; L22-A311 HydrophobicContact CD1-CB 3.8Å; L22-G313 VanDerWaalsContact CD1-N 3.28Å; L22-I319 HydrophobicContact CD1-CG2 4.11Å; L22-I319 HydrophobicContact CD2-CD1 3.8Å; L22-I319 HydrophobicContact CD2-CG1 4.17Å; L22-I319 HydrophobicContact CD2-CG2 4.13Å
23H97.8Very high84.7Confident37 Ų3754.1 Ų54.117%0.17132%0.317CS..EExtended strand (participates in β ladder)trans-144.3124.7174.4-177.668.2000110.9F37 V70 T72H23-F37 HydrophobicContact CB-CB 4.49Å; H23-F37 PolarHBondContact N-O 3.01Å; H23-F37 PolarHBondContact O-N 2.83Å; H23-V70 HydrophobicContact CB-CG2 3.83Å; H23-V70 WeakPolarHBondContact CB-O 3.14Å; H23-T72 PolarHBondContact CD2-N 2.93Å; H23-T72 PolarHBondContact NE2-N 3.3Å; H23-T72 PolarHBondContact NE2-OG1 3.4Å
24F96.3Very high84.4Confident4 Ų448.8 Ų48.82%0.01830%0.301CS..EExtended strand (participates in β ladder)trans-83.6147.2175.7-79.5-85.5000111L36 L50 S298 L309 A311F24-L36 HydrophobicContact CD1-CB 4.33Å; F24-L36 HydrophobicContact CD1-CD1 4.02Å; F24-L36 HydrophobicContact CD2-CD1 3.9Å; F24-L36 HydrophobicContact CE1-CB 4.36Å; F24-L36 HydrophobicContact CE1-CD1 4.09Å; F24-L36 HydrophobicContact CE2-CD1 3.95Å; F24-L36 HydrophobicContact CG-CD1 3.95Å; F24-L36 HydrophobicContact CZ-CD1 4.07Å; F24-L50 HydrophobicContact CD1-CD1 3.78Å; F24-L50 HydrophobicContact CE1-CD1 3.53Å; F24-S298 WeakPolarHBondContact CE2-O 3.13Å; F24-L309 HydrophobicContact CE1-CB 4.31Å; F24-L309 HydrophobicContact CE1-CD1 4.47Å; F24-L309 HydrophobicContact CZ-CB 4.05Å; F24-A311 HydrophobicContact CE2-CB 3.47Å; F24-A311 VanDerWaalsContact CE2-CB 3.47Å; F24-A311 HydrophobicContact CZ-CB 3.54Å
25S93.2Very high84.6Confident15 Ų1547.2 Ų47.211%0.10528%0.282CS..EExtended strand (participates in β ladder)trans-138.793.7166.1-170.30000108.1I35 K76S25-I35 PolarHBondContact N-O 3.1Å; S25-I35 PolarHBondContact O-N 2.98Å; S25-K76 WeakPolarHBondContact OG-CB 3.16Å
26C87.8Confident85Confident19 Ų1947.1 Ų47.113%0.12828%0.281CS..  trans-119.4-14.2-174.2-45.40000112.3G28 P34 D301 H302C26-G28 PolarHBondContact O-N 3.08Å; C26-P34 HydrophobicContact CB-CB 3.82Å; C26-D301 WeakPolarHBondContact CA-OD1 3.49Å; C26-D301 WeakPolarHBondContact CB-OD1 3.27Å; C26-D301 PolarHBondContact N-OD1 2.63Å; C26-D301 PolarHBondContact N-OD2 3.3Å; C26-D301 PolarHBondContact SG-OD1 3.07Å; C26-H302 VanDerWaalsContact CB-CE1 3.47Å; C26-H302 WeakPolarHBondContact CB-CE1 3.38Å; C26-H302 PolarHBondContact SG-CE1 3Å
27G69.1Low85.3Confident67 Ų6742.7 Ų42.769%0.69125%0.25SS*.  trans-78.572.4177.800000114.1D301G27-D301 PolarHBondContact N-OD2 3.39Å; G27-D301 VanDerWaalsContact N-OD2 3.15Å
28G65.5Low85.3Confident47 Ų4742.2 Ų42.249%0.48525%0.247SC..  trans-130.4160.3172.500000112.3C26C26-G28 PolarHBondContact O-N 3.08Å
29Q58Low85.3Confident180 Ų18042.2 Ų42.284%0.84125%0.247SC*.  trans-79.4138.6169.6-72.6-172.6-20.300109.7D32Q29-D32 WeakPolarHBondContact O-CB 3.3Å; Q29-D32 PolarHBondContact O-N 2.83Å
30E53.2Low85.3Confident174 Ų17442.2 Ų42.281%0.81325%0.247SC*.THydrogen-bonded Turntrans-44.8136.3169.4-83.2-100.1160.300110.5
31P52.1Low85.3Confident115 Ų11545.4 Ų45.475%0.74726%0.261SS*.THydrogen-bonded Turncis-92.41718.937.5-36.5000114.8F33P31-F33 PolarHBondContact O-N 2.98Å
32D68Low85.2Confident71 Ų7146.7 Ų46.738%0.3827%0.268SS..PPolyproline II helixtrans-64.6119.9-179.5-79.5-16.1000111.9Q29 K76Q29-D32 WeakPolarHBondContact O-CB 3.3Å; Q29-D32 PolarHBondContact O-N 2.83Å; D32-K76 VanDerWaalsContact CG-CE 3.42Å; D32-K76 WeakPolarHBondContact OD1-CE 3.41Å; D32-K76 IonicContact OD1-NZ 3.64Å; D32-K76 PolarHBondContact OD1-NZ 3Å; D32-K76 WeakPolarHBondContact OD2-CE 3.18Å; D32-K76 IonicContact OD2-NZ 2.88Å; D32-K76 PolarHBondContact OD2-NZ 3.41Å; D32-K76 VanDerWaalsContact OD2-NZ 3.15Å
33F80.5Confident85.1Confident64 Ų6446.1 Ų46.128%0.28127%0.265SS..PPolyproline II helixtrans-81.3152173.355.7-92.5000110.9P31 I35 N49 K51 D56P31-F33 PolarHBondContact O-N 2.98Å; F33-I35 HydrophobicContact CD2-CG1 3.9Å; F33-I35 HydrophobicContact CE2-CD1 4.02Å; F33-I35 HydrophobicContact CE2-CG1 3.69Å; F33-N49 HydrophobicContact CD2-CB 4.04Å; F33-N49 VanDerWaalsContact CD2-ND2 3.32Å; F33-N49 WeakPolarHBondContact CD2-ND2 3.48Å; F33-N49 HydrophobicContact CE2-CB 3.74Å; F33-N49 VanDerWaalsContact CE2-CG 3.42Å; F33-N49 WeakPolarHBondContact CE2-ND2 3.29Å; F33-N49 VanDerWaalsContact CZ-ND2 3.33Å; F33-N49 WeakPolarHBondContact CZ-ND2 3.48Å; F33-K51 HydrophobicContact CB-CB 4.45Å; F33-D56 WeakPolarHBondContact CE2-OD2 3.47Å; F33-D56 VanDerWaalsContact CZ-OD2 3.22Å; F33-D56 WeakPolarHBondContact CZ-OD2 3.37Å
34P90.4Very high85.1Confident33 Ų3346 Ų4621%0.21426%0.264CS..PPolyproline II helixtrans-70.1134.1179.227.3-33.3000111.3C26 L50 H302C26-P34 HydrophobicContact CB-CB 3.82Å; P34-L50 HydrophobicContact CB-CD1 4.1Å; P34-L50 HydrophobicContact CG-CB 4.17Å; P34-L50 WeakPolarHBondContact O-CB 3.35Å; P34-L50 PolarHBondContact O-N 2.78Å; P34-L50 VanDerWaalsContact O-N 3.12Å; P34-H302 WeakPolarHBondContact CB-NE2 3.47Å
35I93.7Very high85.2Confident11 Ų1145.8 Ų45.86%0.05626%0.263CS..EExtended strand (participates in β ladder)trans-113.3144.6-176-64178.6000109.9S25 F33 F37 V47 W48 K76S25-I35 PolarHBondContact N-O 3.1Å; S25-I35 PolarHBondContact O-N 2.98Å; F33-I35 HydrophobicContact CD2-CG1 3.9Å; F33-I35 HydrophobicContact CE2-CD1 4.02Å; F33-I35 HydrophobicContact CE2-CG1 3.69Å; I35-F37 HydrophobicContact CG2-CD2 4.1Å; I35-F37 HydrophobicContact CG2-CE1 4.35Å; I35-F37 HydrophobicContact CG2-CE2 3.77Å; I35-F37 HydrophobicContact CG2-CZ 3.91Å; I35-V47 HydrophobicContact CD1-CG1 4.37Å; I35-V47 HydrophobicContact CG2-CG1 3.58Å; I35-W48 WeakPolarHBondContact CA-O 3.47Å; I35-K76 HydrophobicContact CD1-CB 4.47Å; I35-K76 HydrophobicContact CD1-CD 3.75Å
36L97.3Very high85.4Confident0 Ų045.6 Ų45.60%026%0.261CS..EExtended strand (participates in β ladder)trans-116.7130.2163.6176.167.2000108.5L12 L22 F24 W48 L50 A311 I319 I321L12-L36 HydrophobicContact CD1-CD2 3.86Å; L22-L36 HydrophobicContact CB-CD1 4.23Å; L22-L36 HydrophobicContact CD2-CD1 4.16Å; L22-L36 HydrophobicContact CD2-CD2 4.13Å; L22-L36 HydrophobicContact CD2-CG 4.23Å; F24-L36 HydrophobicContact CD1-CB 4.33Å; F24-L36 HydrophobicContact CD1-CD1 4.02Å; F24-L36 HydrophobicContact CD2-CD1 3.9Å; F24-L36 HydrophobicContact CE1-CB 4.36Å; F24-L36 HydrophobicContact CE1-CD1 4.09Å; F24-L36 HydrophobicContact CE2-CD1 3.95Å; F24-L36 HydrophobicContact CG-CD1 3.95Å; F24-L36 HydrophobicContact CZ-CD1 4.07Å; L36-W48 HydrophobicContact CB-CB 4.15Å; L36-W48 PolarHBondContact N-O 3.26Å; L36-W48 WeakPolarHBondContact O-CB 3.5Å; L36-W48 PolarHBondContact O-N 3.32Å; L36-L50 HydrophobicContact CB-CD1 4.2Å; L36-L50 HydrophobicContact CB-CD2 3.9Å; L36-L50 HydrophobicContact CB-CG 4.21Å; L36-L50 HydrophobicContact CD2-CD2 4.38Å; L36-A311 HydrophobicContact CD1-CB 4.33Å; L36-A311 HydrophobicContact CD2-CB 4.04Å; L36-I319 HydrophobicContact CD2-CG2 4.01Å; L36-I321 HydrophobicContact CD2-CD1 3.89Å
37F98Very high85.8Confident1 Ų145.3 Ų45.30%0.00426%0.258CS..EExtended strand (participates in β ladder)trans-94.8140.9167.6-63.7-85.6000109.2L22 H23 I35 V45 H46 V47 V70 T72 L79 L93L22-F37 WeakPolarHBondContact CA-O 3.42Å; H23-F37 HydrophobicContact CB-CB 4.49Å; H23-F37 PolarHBondContact N-O 3.01Å; H23-F37 PolarHBondContact O-N 2.83Å; I35-F37 HydrophobicContact CG2-CD2 4.1Å; I35-F37 HydrophobicContact CG2-CE1 4.35Å; I35-F37 HydrophobicContact CG2-CE2 3.77Å; I35-F37 HydrophobicContact CG2-CZ 3.91Å; F37-V45 HydrophobicContact CD1-CG1 4.36Å; F37-H46 CarbonylContact C-O 3.48Å; F37-H46 WeakPolarHBondContact CA-O 3.49Å; F37-V47 HydrophobicContact CD1-CG1 4.46Å; F37-V47 HydrophobicContact CD1-CG2 3.93Å; F37-V47 HydrophobicContact CE1-CB 4.39Å; F37-V47 HydrophobicContact CE1-CG1 3.99Å; F37-V47 HydrophobicContact CE1-CG2 3.73Å; F37-V70 HydrophobicContact CB-CG2 4.11Å; F37-T72 HydrophobicContact CD2-CG2 4.1Å; F37-T72 HydrophobicContact CE2-CG2 3.57Å; F37-T72 HydrophobicContact CZ-CG2 4.23Å; F37-L79 HydrophobicContact CD1-CD1 3.95Å; F37-L79 HydrophobicContact CD1-CD2 3.77Å; F37-L79 HydrophobicContact CD1-CG 4.5Å; F37-L79 HydrophobicContact CD2-CD1 4.21Å; F37-L79 HydrophobicContact CE1-CD1 4.17Å; F37-L79 HydrophobicContact CE1-CD2 3.92Å; F37-L79 HydrophobicContact CE2-CD1 4.41Å; F37-L79 HydrophobicContact CG-CD1 3.97Å; F37-L79 HydrophobicContact CZ-CD1 4.39Å; F37-L93 HydrophobicContact CE1-CD1 3.75Å; F37-L93 HydrophobicContact CZ-CD1 4.16Å
38S98.6Very high87.2Confident0 Ų042.1 Ų42.10%023%0.225CC..EExtended strand (participates in β ladder)trans-135.9129.7171.9750000112.4T21 V45 H46 W48T21-S38 VanDerWaalsContact O-CA 3.31Å; T21-S38 WeakPolarHBondContact O-CA 3.1Å; S38-V45 CarbonylContact O-C 3.58Å; S38-V45 WeakPolarHBondContact O-CA 3.45Å; S38-H46 PolarHBondContact N-O 3.15Å; S38-H46 PolarHBondContact O-N 3.35Å; S38-W48 PolarHBondContact OG-NE1 3.12Å
39G98.4Very high88.5Confident0 Ų040.5 Ų40.50%021%0.205CC..EExtended strand (participates in β ladder)trans-91.8132.9170.800000111.4H20 T21 V67H20-G39 PolarHBondContact N-O 2.79Å; T21-G39 PolarHBondContact O-N 3.26Å; G39-V67 CarbonylContact C-O 3.55Å
40S97.8Very high90.2Very high0 Ų032.5 Ų32.50%017%0.168CC..EExtended strand (participates in β ladder)trans-116.6156.6-174.5-58.80000112.7A18 N42 G43 F44 H46 V67A18-S40 CarbonylContact O-C 3.56Å; A18-S40 VanDerWaalsContact O-CA 3.3Å; A18-S40 WeakPolarHBondContact O-CA 3.29Å; S40-N42 WeakPolarHBondContact CB-OD1 3.46Å; S40-N42 PolarHBondContact O-N 3.06Å; S40-G43 PolarHBondContact O-N 3.21Å; S40-F44 PolarHBondContact N-O 2.85Å; S40-H46 PolarHBondContact OG-ND1 3.22Å; S40-V67 PolarHBondContact O-N 2.89Å
41E98.1Very high92Very high98 Ų9832.2 Ų32.246%0.45816%0.164SC..THydrogen-bonded Turntrans-59.8-30.1179.7-176.3173.9-152.900113.3A17 A18 G43 S66A17-E41 HydrophobicContact CB-CB 4.24Å; A18-E41 HydrophobicContact CB-CB 4.02Å; A18-E41 WeakPolarHBondContact CB-OE2 3.43Å; A18-E41 PolarHBondContact O-N 2.94Å; E41-G43 PolarHBondContact O-N 3.43Å; E41-S66 WeakPolarHBondContact O-CA 3.48Å; E41-S66 WeakPolarHBondContact O-CB 3.31Å; E41-S66 PolarHBondContact O-N 2.85Å
42N96.9Very high94Very high32 Ų3230.1 Ų30.117%0.17115%0.15CC..THydrogen-bonded Turntrans-80.69.8176.763.12.4000114T15 S16 A17 S40 F44 R64T15-N42 PolarHBondContact O-ND2 3.3Å; T15-N42 VanDerWaalsContact O-ND2 3.09Å; S16-N42 PolarHBondContact OG-ND2 2.8Å; A17-N42 HydrophobicContact CB-CB 3.81Å; S40-N42 WeakPolarHBondContact CB-OD1 3.46Å; S40-N42 PolarHBondContact O-N 3.06Å; N42-F44 HydrophobicContact CB-CD2 4.47Å; N42-F44 WeakPolarHBondContact OD1-CD2 3.45Å; N42-R64 VanDerWaalsContact O-CA 3.29Å; N42-R64 WeakPolarHBondContact O-CA 3.47Å; N42-R64 WeakPolarHBondContact O-CD 3.35Å
43G96.8Very high95.3Very high0 Ų033.1 Ų33.10%016%0.156CC..SBendtrans84.3517200000116.8S40 E41 K65 V67S40-G43 PolarHBondContact O-N 3.21Å; E41-G43 PolarHBondContact O-N 3.43Å; G43-K65 WeakPolarHBondContact CA-O 3.47Å; G43-V67 WeakPolarHBondContact O-CG2 3.27Å
44F97.8Very high95.9Very high35 Ų3538.8 Ų38.815%0.15418%0.175CC..EExtended strand (participates in β ladder)trans-87.3146.2174.4-72-82.4000112.6S40 N42 A58 L59 D60 R64S40-F44 PolarHBondContact N-O 2.85Å; N42-F44 HydrophobicContact CB-CD2 4.47Å; N42-F44 WeakPolarHBondContact OD1-CD2 3.45Å; F44-A58 HydrophobicContact CD1-CB 4.05Å; F44-A58 HydrophobicContact CE1-CB 4.47Å; F44-L59 WeakPolarHBondContact CA-O 3.49Å; F44-D60 HydrophobicContact CD1-CB 4Å; F44-D60 HydrophobicContact CE1-CB 3.71Å; F44-R64 VanDerWaalsContact CE2-CZ 3.42Å; F44-R64 VanDerWaalsContact CZ-NH1 3.29Å
45V98.2Very high96.2Very high0 Ų039.6 Ų39.60%018%0.18CC..EExtended strand (participates in β ladder)trans-103.3117.1158.5-175.70000108.8F37 S38 L59 V67 V70 L79F37-V45 HydrophobicContact CD1-CG1 4.36Å; S38-V45 CarbonylContact O-C 3.58Å; S38-V45 WeakPolarHBondContact O-CA 3.45Å; V45-L59 HydrophobicContact CB-CB 4.18Å; V45-L59 HydrophobicContact CB-CD1 4.3Å; V45-L59 HydrophobicContact CG1-CD1 4.4Å; V45-L59 PolarHBondContact N-O 3.49Å; V45-L59 WeakPolarHBondContact O-CB 3.44Å; V45-L59 PolarHBondContact O-N 3.39Å; V45-V67 HydrophobicContact CG2-CB 4.47Å; V45-V67 HydrophobicContact CG2-CG1 3.94Å; V45-V67 HydrophobicContact CG2-CG2 4.16Å; V45-V70 HydrophobicContact CG1-CG1 4.07Å; V45-V70 HydrophobicContact CG2-CG1 4.02Å; V45-L79 HydrophobicContact CG1-CD2 3.97Å
46H97.8Very high96.1Very high11 Ų1142.6 Ų42.65%0.05120%0.196CC..EExtended strand (participates in β ladder)trans-93.3135.4176.6-60.975.9000110F37 S38 S40 W48 V55F37-H46 CarbonylContact C-O 3.48Å; F37-H46 WeakPolarHBondContact CA-O 3.49Å; S38-H46 PolarHBondContact N-O 3.15Å; S38-H46 PolarHBondContact O-N 3.35Å; S40-H46 PolarHBondContact OG-ND1 3.22Å; H46-W48 HydrophobicContact CB-CZ2 4.07Å; H46-V55 HydrophobicContact CB-CG1 4.47Å
47V96.6Very high95.9Very high13 Ų1345.2 Ų45.28%0.07921%0.212CC..EExtended strand (participates in β ladder)trans-102.5109.8173-171.10000107.2I35 F37 D56 T57 L59I35-V47 HydrophobicContact CD1-CG1 4.37Å; I35-V47 HydrophobicContact CG2-CG1 3.58Å; F37-V47 HydrophobicContact CD1-CG1 4.46Å; F37-V47 HydrophobicContact CD1-CG2 3.93Å; F37-V47 HydrophobicContact CE1-CB 4.39Å; F37-V47 HydrophobicContact CE1-CG1 3.99Å; F37-V47 HydrophobicContact CE1-CG2 3.73Å; V47-D56 PolarHBondContact O-N 3.1Å; V47-T57 PolarHBondContact N-O 3.31Å; V47-T57 PolarHBondContact O-N 3.1Å; V47-L59 HydrophobicContact CG2-CD1 4.1Å; V47-L59 HydrophobicContact CG2-CG 4.23Å
48W96.8Very high95.8Very high0 Ų047.4 Ų47.40%023%0.23CC..EExtended strand (participates in β ladder)trans-100.2131.9-176.8-57.387.9000110.8L12 T15 I35 L36 S38 H46 V55 I319L12-W48 HydrophobicContact CB-CD2 4.26Å; L12-W48 HydrophobicContact CB-CE3 3.75Å; L12-W48 HydrophobicContact CB-CH2 4.09Å; L12-W48 HydrophobicContact CB-CZ3 3.64Å; L12-W48 HydrophobicContact CD1-CB 4.08Å; L12-W48 HydrophobicContact CD1-CD2 3.86Å; L12-W48 HydrophobicContact CD1-CE3 3.92Å; L12-W48 HydrophobicContact CD1-CG 3.95Å; L12-W48 HydrophobicContact CD2-CE3 3.98Å; L12-W48 HydrophobicContact CD2-CZ3 4.42Å; L12-W48 HydrophobicContact CG-CE3 4.1Å; L12-W48 HydrophobicContact CG-CZ3 4.45Å; T15-W48 HydrophobicContact CG2-CH2 4.3Å; T15-W48 HydrophobicContact CG2-CZ2 3.57Å; I35-W48 WeakPolarHBondContact CA-O 3.47Å; L36-W48 HydrophobicContact CB-CB 4.15Å; L36-W48 PolarHBondContact N-O 3.26Å; L36-W48 WeakPolarHBondContact O-CB 3.5Å; L36-W48 PolarHBondContact O-N 3.32Å; S38-W48 PolarHBondContact OG-NE1 3.12Å; H46-W48 HydrophobicContact CB-CZ2 4.07Å; W48-V55 HydrophobicContact CD2-CG2 4.04Å; W48-V55 HydrophobicContact CE3-CB 4.44Å; W48-V55 HydrophobicContact CE3-CG2 3.55Å; W48-V55 HydrophobicContact CH2-CG2 3.39Å; W48-V55 HydrophobicContact CZ2-CG2 3.87Å; W48-V55 HydrophobicContact CZ3-CB 4.43Å; W48-V55 HydrophobicContact CZ3-CG2 3.21Å; W48-I319 HydrophobicContact CZ2-CD1 3.9Å
49N93.9Very high95.7Very high12 Ų1247.5 Ų47.56%0.06423%0.23CC..EExtended strand (participates in β ladder)trans-90112.8169.8-177.6-36.7000109.3F33 K51 T52 R53 R54 D56F33-N49 HydrophobicContact CD2-CB 4.04Å; F33-N49 VanDerWaalsContact CD2-ND2 3.32Å; F33-N49 WeakPolarHBondContact CD2-ND2 3.48Å; F33-N49 HydrophobicContact CE2-CB 3.74Å; F33-N49 VanDerWaalsContact CE2-CG 3.42Å; F33-N49 WeakPolarHBondContact CE2-ND2 3.29Å; F33-N49 VanDerWaalsContact CZ-ND2 3.33Å; F33-N49 WeakPolarHBondContact CZ-ND2 3.48Å; N49-K51 VanDerWaalsContact C-N 3.27Å; N49-K51 PolarHBondContact O-N 3.46Å; N49-K51 WeakPolarHBondContact OD1-CA 3.42Å; N49-K51 WeakPolarHBondContact OD1-CB 3.21Å; N49-K51 PolarHBondContact OD1-N 2.71Å; N49-T52 WeakPolarHBondContact CB-OG1 3.35Å; N49-T52 VanDerWaalsContact CG-OG1 3.32Å; N49-T52 PolarHBondContact O-N 3Å; N49-T52 PolarHBondContact OD1-N 3.33Å; N49-R53 VanDerWaalsContact O-CA 3.24Å; N49-R53 WeakPolarHBondContact O-CA 3.45Å; N49-R53 PolarHBondContact O-N 2.89Å; N49-R54 PolarHBondContact N-O 2.99Å; N49-R54 PolarHBondContact O-N 2.89Å; N49-D56 VanDerWaalsContact CB-CG 3.48Å; N49-D56 WeakPolarHBondContact CB-OD1 3.46Å; N49-D56 WeakPolarHBondContact CB-OD2 3.49Å; N49-D56 PolarHBondContact ND2-OD2 3.08Å
50L93.4Very high95.5Very high12 Ų1250.9 Ų50.96%0.06325%0.249CC..THydrogen-bonded Turntrans-75-19.1-174.7-63172000112.7F10 L12 F24 P34 L36 L309F10-L50 HydrophobicContact CE2-CD2 4.36Å; F10-L50 HydrophobicContact CZ-CD2 4.3Å; L12-L50 HydrophobicContact CD1-CD2 4.12Å; F24-L50 HydrophobicContact CD1-CD1 3.78Å; F24-L50 HydrophobicContact CE1-CD1 3.53Å; P34-L50 HydrophobicContact CB-CD1 4.1Å; P34-L50 HydrophobicContact CG-CB 4.17Å; P34-L50 WeakPolarHBondContact O-CB 3.35Å; P34-L50 PolarHBondContact O-N 2.78Å; P34-L50 VanDerWaalsContact O-N 3.12Å; L36-L50 HydrophobicContact CB-CD1 4.2Å; L36-L50 HydrophobicContact CB-CD2 3.9Å; L36-L50 HydrophobicContact CB-CG 4.21Å; L36-L50 HydrophobicContact CD2-CD2 4.38Å; L50-L309 HydrophobicContact CD1-CD1 4.49Å
51K91.5Very high95.3Very high168 Ų16852 Ų5273%0.7326%0.26SS*.THydrogen-bonded Turntrans-74.2-46174-173.2174.6-176.4170.90111.4F33 N49F33-K51 HydrophobicContact CB-CB 4.45Å; N49-K51 VanDerWaalsContact C-N 3.27Å; N49-K51 PolarHBondContact O-N 3.46Å; N49-K51 WeakPolarHBondContact OD1-CA 3.42Å; N49-K51 WeakPolarHBondContact OD1-CB 3.21Å; N49-K51 PolarHBondContact OD1-N 2.71Å
52T93.6Very high95.2Very high72 Ų7247.3 Ų47.344%0.44224%0.238SC..THydrogen-bonded Turntrans-86.1-16.3178.767.50000113N49 R54N49-T52 WeakPolarHBondContact CB-OG1 3.35Å; N49-T52 VanDerWaalsContact CG-OG1 3.32Å; N49-T52 PolarHBondContact O-N 3Å; N49-T52 PolarHBondContact OD1-N 3.33Å; T52-R54 PolarHBondContact O-N 3.38Å
53R95.1Very high95.1Very high133 Ų13348.6 Ų48.650%0.50226%0.259SS..THydrogen-bonded Turntrans60.133-176.3-51.2174.2-176.6-176.7-3.7112.7F10 L12 N49F10-R53 HydrophobicContact CD2-CB 4.34Å; F10-R53 HydrophobicContact CD2-CG 3.93Å; F10-R53 HydrophobicContact CE2-CB 4.47Å; F10-R53 HydrophobicContact CE2-CG 3.95Å; F10-R53 HydrophobicContact CG-CG 4.37Å; F10-R53 HydrophobicContact CZ-CG 4.43Å; L12-R53 HydrophobicContact CD2-CB 4.03Å; N49-R53 VanDerWaalsContact O-CA 3.24Å; N49-R53 WeakPolarHBondContact O-CA 3.45Å; N49-R53 PolarHBondContact O-N 2.89Å
54R93.9Very high95Very high183 Ų18355.5 Ų55.569%0.69129%0.285SS*.EExtended strand (participates in β ladder)trans-127.4161.4-177.7-67.8-179.3-177.5-171.70.2111N49 T52 D56N49-R54 PolarHBondContact N-O 2.99Å; N49-R54 PolarHBondContact O-N 2.89Å; T52-R54 PolarHBondContact O-N 3.38Å; R54-D56 PolarHBondContact O-N 3.49Å
55V95Very high94.9Very high51 Ų5159.5 Ų59.531%0.30930%0.302SS..EExtended strand (participates in β ladder)trans-71.7123.4166.7-177.60000107.4H46 W48 T57H46-V55 HydrophobicContact CB-CG1 4.47Å; W48-V55 HydrophobicContact CD2-CG2 4.04Å; W48-V55 HydrophobicContact CE3-CB 4.44Å; W48-V55 HydrophobicContact CE3-CG2 3.55Å; W48-V55 HydrophobicContact CH2-CG2 3.39Å; W48-V55 HydrophobicContact CZ2-CG2 3.87Å; W48-V55 HydrophobicContact CZ3-CB 4.43Å; W48-V55 HydrophobicContact CZ3-CG2 3.21Å; V55-T57 WeakPolarHBondContact CG1-O 3.35Å
56D91.8Very high94.8Very high74 Ų7460.5 Ų60.540%0.39631%0.309SS..EExtended strand (participates in β ladder)trans-83.3-47.7169.8-80.85.9000109.6F33 V47 N49 R54F33-D56 WeakPolarHBondContact CE2-OD2 3.47Å; F33-D56 VanDerWaalsContact CZ-OD2 3.22Å; F33-D56 WeakPolarHBondContact CZ-OD2 3.37Å; V47-D56 PolarHBondContact O-N 3.1Å; N49-D56 VanDerWaalsContact CB-CG 3.48Å; N49-D56 WeakPolarHBondContact CB-OD1 3.46Å; N49-D56 WeakPolarHBondContact CB-OD2 3.49Å; N49-D56 PolarHBondContact ND2-OD2 3.08Å; R54-D56 PolarHBondContact O-N 3.49Å
57T93.5Very high94.8Very high54 Ų5460 Ų6033%0.33131%0.307SS..EExtended strand (participates in β ladder)trans-143.2144.2-176.9-57.40000111.1V47 V55 L59 T98V47-T57 PolarHBondContact N-O 3.31Å; V47-T57 PolarHBondContact O-N 3.1Å; V55-T57 WeakPolarHBondContact CG1-O 3.35Å; T57-L59 HydrophobicContact CG2-CD2 3.69Å; T57-L59 HydrophobicContact CG2-CG 4.45Å; T57-T98 HydrophobicContact CG2-CG2 3.61Å
58A95.4Very high94.9Very high47 Ų4760.2 Ų60.239%0.38831%0.306SS..EExtended strand (participates in β ladder)trans-113.9118.8165.900000109.4F44F44-A58 HydrophobicContact CD1-CB 4.05Å; F44-A58 HydrophobicContact CE1-CB 4.47Å
59L96.5Very high94.9Very high2 Ų261 Ų611%0.0131%0.309CS..EExtended strand (participates in β ladder)trans-91.4125.1-178.9-50.9174.5000109.4F44 V45 V47 T57 L79 W91 L93 T98F44-L59 WeakPolarHBondContact CA-O 3.49Å; V45-L59 HydrophobicContact CB-CB 4.18Å; V45-L59 HydrophobicContact CB-CD1 4.3Å; V45-L59 HydrophobicContact CG1-CD1 4.4Å; V45-L59 PolarHBondContact N-O 3.49Å; V45-L59 WeakPolarHBondContact O-CB 3.44Å; V45-L59 PolarHBondContact O-N 3.39Å; V47-L59 HydrophobicContact CG2-CD1 4.1Å; V47-L59 HydrophobicContact CG2-CG 4.23Å; T57-L59 HydrophobicContact CG2-CD2 3.69Å; T57-L59 HydrophobicContact CG2-CG 4.45Å; L59-L79 HydrophobicContact CD1-CD2 3.98Å; L59-W91 HydrophobicContact CB-CE3 4.31Å; L59-W91 HydrophobicContact CB-CH2 3.83Å; L59-W91 HydrophobicContact CB-CZ3 3.72Å; L59-W91 HydrophobicContact CD1-CD2 4.36Å; L59-W91 HydrophobicContact CD1-CE3 4.2Å; L59-W91 HydrophobicContact CD1-CZ3 4.44Å; L59-L93 HydrophobicContact CD1-CD1 4.2Å; L59-L93 HydrophobicContact CD1-CD2 3.72Å; L59-L93 HydrophobicContact CD2-CD2 3.95Å; L59-T98 HydrophobicContact CD2-CG2 3.85Å
60D95.3Very high95.1Very high72 Ų7260.6 Ų60.639%0.38531%0.307SS..EExtended strand (participates in β ladder)trans-111.1107.3176.7-164.5-11.1000109.2F44 R64F44-D60 HydrophobicContact CD1-CB 4Å; F44-D60 HydrophobicContact CE1-CB 3.71Å; D60-R64 IonicContact OD1-NE 2.75Å; D60-R64 IonicContact OD2-CZ 2.66Å; D60-R64 VanDerWaalsContact OD2-CZ 3.27Å; D60-R64 IonicContact OD2-NE 3.92Å; D60-R64 PolarHBondContact OD2-NE 2.92Å; D60-R64 IonicContact OD2-NH2 2.97Å; D60-R64 PolarHBondContact OD2-NH2 2.85Å
61G93.1Very high95.3Very high22 Ų2262.3 Ų62.323%0.22732%0.315CS..  trans-144-10-178.300000114.8
62H96.6Very high95.5Very high1 Ų155.2 Ų55.21%0.00529%0.286CS..SBendtrans-10417.2-178.8-71.4-71.9000113.6R64 K65 V67 S81 G83 D85 R87 C89H62-R64 PolarHBondContact O-N 2.9Å; H62-R64 VanDerWaalsContact O-N 3.15Å; H62-K65 WeakPolarHBondContact CB-O 3.46Å; H62-K65 VanDerWaalsContact O-CB 3.27Å; H62-K65 WeakPolarHBondContact O-CB 3.42Å; H62-K65 WeakPolarHBondContact O-CG 3.49Å; H62-K65 PolarHBondContact O-N 3.31Å; H62-V67 HydrophobicContact CB-CG2 4.2Å; H62-V67 VanDerWaalsContact CD2-CG2 3.43Å; H62-V67 WeakPolarHBondContact CD2-CG2 3.08Å; H62-S81 PolarHBondContact CE1-O 3.23Å; H62-S81 WeakPolarHBondContact NE2-CB 3.48Å; H62-S81 PolarHBondContact NE2-O 2.88Å; H62-S81 PolarHBondContact NE2-OG 3.1Å; H62-G83 PolarHBondContact CE1-N 2.97Å; H62-G83 VanDerWaalsContact CE1-N 3.31Å; H62-D85 WeakPolarHBondContact CA-OD2 3.11Å; H62-D85 IonicContact CE1-OD1 2.97Å; H62-D85 IonicContact CG-OD1 3.27Å; H62-D85 IonicContact CG-OD2 2.66Å; H62-D85 IonicContact ND1-OD1 3.82Å; H62-D85 PolarHBondContact ND1-OD1 2.96Å; H62-D85 IonicContact ND1-OD2 2.83Å; H62-D85 PolarHBondContact ND1-OD2 2.81Å; H62-R87 PolarHBondContact CE1-O 3.5Å; H62-C89 PolarHBondContact CE1-SG 3.46Å
63G94.3Very high95.3Very high59 Ų5952.4 Ų52.461%0.60827%0.268SS*.THydrogen-bonded Turntrans55.639.2174.300000113.4K65G63-K65 PolarHBondContact O-N 2.81Å
64R94.2Very high94.7Very high144 Ų14450.2 Ų50.254%0.54327%0.266SS..THydrogen-bonded Turntrans62.616-175.4-49.8-57.7171.1117.3-2.8116.1N42 F44 D60 H62N42-R64 VanDerWaalsContact O-CA 3.29Å; N42-R64 WeakPolarHBondContact O-CA 3.47Å; N42-R64 WeakPolarHBondContact O-CD 3.35Å; F44-R64 VanDerWaalsContact CE2-CZ 3.42Å; F44-R64 VanDerWaalsContact CZ-NH1 3.29Å; D60-R64 IonicContact OD1-NE 2.75Å; D60-R64 IonicContact OD2-CZ 2.66Å; D60-R64 VanDerWaalsContact OD2-CZ 3.27Å; D60-R64 IonicContact OD2-NE 3.92Å; D60-R64 PolarHBondContact OD2-NE 2.92Å; D60-R64 IonicContact OD2-NH2 2.97Å; D60-R64 PolarHBondContact OD2-NH2 2.85Å; H62-R64 PolarHBondContact O-N 2.9Å; H62-R64 VanDerWaalsContact O-N 3.15Å
65K96.6Very high93.9Very high119 Ų11943.7 Ų43.752%0.51725%0.251SS..  trans-88.2135.3169.1-56.9-59.2-175.31800109.7G43 H62 G63 V67 R84 D85G43-K65 WeakPolarHBondContact CA-O 3.47Å; H62-K65 WeakPolarHBondContact CB-O 3.46Å; H62-K65 VanDerWaalsContact O-CB 3.27Å; H62-K65 WeakPolarHBondContact O-CB 3.42Å; H62-K65 WeakPolarHBondContact O-CG 3.49Å; H62-K65 PolarHBondContact O-N 3.31Å; G63-K65 PolarHBondContact O-N 2.81Å; K65-V67 PolarHBondContact O-N 2.91Å; K65-R84 HydrophobicContact CB-CB 4.06Å; K65-D85 HydrophobicContact CB-CB 3.93Å; K65-D85 HydrophobicContact CG-CB 3.88Å
66S96.9Very high93.2Very high21 Ų2143.7 Ų43.715%0.14725%0.247CC..  trans-44.9133.4-177.5169.70000114H20 E41 G83 R84H20-S66 PolarHBondContact CD2-OG 2.88Å; H20-S66 PolarHBondContact NE2-OG 3.32Å; E41-S66 WeakPolarHBondContact O-CA 3.48Å; E41-S66 WeakPolarHBondContact O-CB 3.31Å; E41-S66 PolarHBondContact O-N 2.85Å; S66-G83 CarbonylContact O-C 3.44Å; S66-G83 VanDerWaalsContact O-CA 3.32Å; S66-G83 WeakPolarHBondContact O-CA 3.35Å; S66-R84 WeakPolarHBondContact O-CG 3.49Å; S66-R84 PolarHBondContact O-N 3.39Å
67V98.1Very high93Very high0 Ų042.7 Ų42.70%024%0.241CC..EExtended strand (participates in β ladder)trans-98.5120.6174-1710000109.2H20 G39 S40 G43 V45 H62 K65 V70 Q82H20-V67 WeakPolarHBondContact CB-O 3.39Å; G39-V67 CarbonylContact C-O 3.55Å; S40-V67 PolarHBondContact O-N 2.89Å; G43-V67 WeakPolarHBondContact O-CG2 3.27Å; V45-V67 HydrophobicContact CG2-CB 4.47Å; V45-V67 HydrophobicContact CG2-CG1 3.94Å; V45-V67 HydrophobicContact CG2-CG2 4.16Å; H62-V67 HydrophobicContact CB-CG2 4.2Å; H62-V67 VanDerWaalsContact CD2-CG2 3.43Å; H62-V67 WeakPolarHBondContact CD2-CG2 3.08Å; K65-V67 PolarHBondContact O-N 2.91Å; V67-V70 HydrophobicContact CG1-CG1 3.93Å; V67-Q82 WeakPolarHBondContact CG1-O 3.28Å
68Y97Very high92.9Very high18 Ų1846.2 Ų46.27%0.07125%0.248CC..EExtended strand (participates in β ladder)trans-120.5-2-171.559.2-94.5000114.7T21 Q82 G83 R84 R113T21-Y68 WeakPolarHBondContact CB-O 3.37Å; Y68-Q82 HydrophobicContact CE1-CG 4.33Å; Y68-Q82 HydrophobicContact CE2-CB 4.27Å; Y68-Q82 HydrophobicContact CE2-CG 3.66Å; Y68-Q82 PolarHBondContact N-O 3.02Å; Y68-Q82 WeakPolarHBondContact OH-CG 3.04Å; Y68-Q82 PolarHBondContact OH-NE2 2.77Å; Y68-G83 WeakPolarHBondContact CE1-O 3.31Å; Y68-R84 HydrophobicContact CD1-CG 3.88Å; Y68-R84 HydrophobicContact CE1-CG 3.96Å; Y68-R113 HydrophobicContact CD2-CG 4.32Å; Y68-R113 PolarHBondContact O-NE 3.14Å; Y68-R113 VanDerWaalsContact O-NE 3.16Å
69W98.3Very high92.9Very high17 Ų1744 Ų446%0.06423%0.23CC..EExtended strand (participates in β ladder)trans-148140.7167.3-177.482.2000111E71 L80 S81 Q82 R113 C114 L116W69-E71 HydrophobicContact CH2-CB 3.66Å; W69-E71 HydrophobicContact CZ2-CB 3.46Å; W69-E71 VanDerWaalsContact CZ2-CB 3.46Å; W69-E71 HydrophobicContact CZ2-CG 4.24Å; W69-E71 WeakPolarHBondContact CZ2-OE2 3.29Å; W69-E71 HydrophobicContact CZ3-CB 4.27Å; W69-L80 HydrophobicContact CH2-CB 4.19Å; W69-L80 HydrophobicContact CH2-CD1 3.99Å; W69-L80 HydrophobicContact CZ3-CB 3.62Å; W69-L80 HydrophobicContact CZ3-CD1 4.12Å; W69-S81 CarbonylContact O-C 3.6Å; W69-S81 WeakPolarHBondContact O-CA 3.32Å; W69-Q82 HydrophobicContact CB-CB 3.89Å; W69-Q82 HydrophobicContact CE3-CB 4.11Å; W69-Q82 PolarHBondContact N-O 2.9Å; W69-Q82 PolarHBondContact O-N 2.77Å; W69-R113 HydrophobicContact CB-CB 4.17Å; W69-R113 HydrophobicContact CB-CG 4.13Å; W69-R113 HydrophobicContact CG-CB 4.14Å; W69-C114 HydrophobicContact CD2-CB 3.96Å; W69-C114 VanDerWaalsContact CE2-O 3.28Å; W69-C114 HydrophobicContact CE3-CB 3.9Å; W69-C114 HydrophobicContact CH2-CB 3.81Å; W69-C114 HydrophobicContact CZ2-CB 3.85Å; W69-C114 HydrophobicContact CZ3-CB 3.84Å; W69-C114 PolarHBondContact NE1-O 2.66Å; W69-L116 HydrophobicContact CH2-CB 4.24Å; W69-L116 HydrophobicContact CZ2-CB 4.22Å
70V98.2Very high93Very high3 Ų344 Ų442%0.01823%0.23CC..EExtended strand (participates in β ladder)trans-141.7138.6173-66.50000108.9T21 H23 F37 V45 V67 L79 L80T21-V70 HydrophobicContact CG2-CB 4.37Å; T21-V70 HydrophobicContact CG2-CG1 4Å; T21-V70 HydrophobicContact CG2-CG2 3.82Å; T21-V70 PolarHBondContact OG1-N 3.12Å; H23-V70 HydrophobicContact CB-CG2 3.83Å; H23-V70 WeakPolarHBondContact CB-O 3.14Å; F37-V70 HydrophobicContact CB-CG2 4.11Å; V45-V70 HydrophobicContact CG1-CG1 4.07Å; V45-V70 HydrophobicContact CG2-CG1 4.02Å; V67-V70 HydrophobicContact CG1-CG1 3.93Å; V70-L79 HydrophobicContact CB-CD1 4.44Å; V70-L80 VanDerWaalsContact CA-O 3.26Å; V70-L80 WeakPolarHBondContact CA-O 3.23Å
71E96.9Very high93.1Very high49 Ų4940.5 Ų40.523%0.22921%0.212CC..EExtended strand (participates in β ladder)trans-155.7143.6176.9-166.2165.4160.600110.6W69 L80 L116W69-E71 HydrophobicContact CH2-CB 3.66Å; W69-E71 HydrophobicContact CZ2-CB 3.46Å; W69-E71 VanDerWaalsContact CZ2-CB 3.46Å; W69-E71 HydrophobicContact CZ2-CG 4.24Å; W69-E71 WeakPolarHBondContact CZ2-OE2 3.29Å; W69-E71 HydrophobicContact CZ3-CB 4.27Å; E71-L80 PolarHBondContact N-O 3.03Å; E71-L80 PolarHBondContact O-N 2.94Å; E71-L116 HydrophobicContact CG-CD2 4.25Å
72T94.7Very high93.4Very high19 Ų1939.8 Ų39.812%0.11720%0.202CC..EExtended strand (participates in β ladder)trans-89.1146.3177.5530000112.4H23 F37 R78 L79H23-T72 PolarHBondContact CD2-N 2.93Å; H23-T72 PolarHBondContact NE2-N 3.3Å; H23-T72 PolarHBondContact NE2-OG1 3.4Å; F37-T72 HydrophobicContact CD2-CG2 4.1Å; F37-T72 HydrophobicContact CE2-CG2 3.57Å; F37-T72 HydrophobicContact CZ-CG2 4.23Å; T72-R78 CarbonylContact C-O 3.52Å; T72-R78 VanDerWaalsContact CA-O 3.28Å; T72-R78 WeakPolarHBondContact CA-O 3.46Å; T72-L79 HydrophobicContact CG2-CD1 4.07Å
73M90.9Very high93.4Very high13 Ų1339.7 Ų39.76%0.06420%0.202CC..SBendtrans-102.2101.3173-62.5179.869.200110.1A75 R78 L80 L116 W124 L141M73-A75 VanDerWaalsContact C-N 3.26Å; M73-A75 PolarHBondContact O-N 3.31Å; M73-R78 HydrophobicContact CB-CB 4.02Å; M73-R78 PolarHBondContact N-O 3.04Å; M73-L80 HydrophobicContact CG-CD1 3.88Å; M73-L80 HydrophobicContact CG-CG 3.94Å; M73-L80 HydrophobicContact SD-CD1 3.83Å; M73-L80 HydrophobicContact SD-CD2 3.81Å; M73-L80 HydrophobicContact SD-CG 3.8Å; M73-L116 HydrophobicContact CG-CD2 3.93Å; M73-W124 HydrophobicContact CB-CZ2 4.06Å; M73-W124 HydrophobicContact CE-CB 4.32Å; M73-W124 HydrophobicContact CE-CD2 3.38Å; M73-W124 HydrophobicContact CE-CE3 3.27Å; M73-W124 HydrophobicContact CE-CG 3.86Å; M73-W124 HydrophobicContact CE-CH2 4.09Å; M73-W124 HydrophobicContact CE-CZ2 4.16Å; M73-W124 HydrophobicContact CE-CZ3 3.65Å; M73-L141 HydrophobicContact CE-CB 3.79Å; M73-L141 HydrophobicContact CE-CD1 4Å; M73-L141 HydrophobicContact SD-CD1 4.16Å
74D80.9Confident93.5Very high87 Ų8741.1 Ų41.147%0.46519%0.189SC..SBendtrans66.3-68.5-175-69.1-8.7000115.2K118 W124D74-K118 WeakPolarHBondContact OD1-CD 3.31Å; D74-K118 WeakPolarHBondContact OD1-CE 3.49Å; D74-K118 IonicContact OD1-NZ 3.67Å; D74-K118 PolarHBondContact OD1-NZ 3.11Å; D74-K118 WeakPolarHBondContact OD2-CE 3.26Å; D74-K118 IonicContact OD2-NZ 3.77Å; D74-K118 PolarHBondContact OD2-NZ 2.83Å; D74-W124 HydrophobicContact CB-CZ2 4.18Å; D74-W124 WeakPolarHBondContact OD1-CZ2 3.42Å; D74-W124 PolarHBondContact OD1-NE1 3.02Å; D74-W124 VanDerWaalsContact OD2-CZ2 3.27Å; D74-W124 WeakPolarHBondContact OD2-CZ2 3.29Å
75A77.8Confident93.5Very high45 Ų4535.8 Ų35.837%0.37217%0.171SC..SBendtrans-114.7161.1-174.900000110.9M73 D77 R78M73-A75 VanDerWaalsContact C-N 3.26Å; M73-A75 PolarHBondContact O-N 3.31Å; A75-D77 VanDerWaalsContact CB-OD1 3.23Å; A75-D77 WeakPolarHBondContact CB-OD1 3.49Å; A75-D77 PolarHBondContact O-N 3.32Å; A75-D77 VanDerWaalsContact O-N 3.08Å; A75-R78 PolarHBondContact O-N 3.33Å
76K80.8Confident93.4Very high52 Ų5233.4 Ų33.423%0.22616%0.162CC..THydrogen-bonded Turntrans-60.4-16.6-179.360.7175177.4176.30114.5S25 D32 I35S25-K76 WeakPolarHBondContact OG-CB 3.16Å; D32-K76 VanDerWaalsContact CG-CE 3.42Å; D32-K76 WeakPolarHBondContact OD1-CE 3.41Å; D32-K76 IonicContact OD1-NZ 3.64Å; D32-K76 PolarHBondContact OD1-NZ 3Å; D32-K76 WeakPolarHBondContact OD2-CE 3.18Å; D32-K76 IonicContact OD2-NZ 2.88Å; D32-K76 PolarHBondContact OD2-NZ 3.41Å; D32-K76 VanDerWaalsContact OD2-NZ 3.15Å; I35-K76 HydrophobicContact CD1-CB 4.47Å; I35-K76 HydrophobicContact CD1-CD 3.75Å
77D86.3Confident93.3Very high52 Ų5238.2 Ų38.228%0.27818%0.177SC..THydrogen-bonded Turntrans-83.7-18.1-17869.8-29.9000112.9A75 N92 L93 A94A75-D77 VanDerWaalsContact CB-OD1 3.23Å; A75-D77 WeakPolarHBondContact CB-OD1 3.49Å; A75-D77 PolarHBondContact O-N 3.32Å; A75-D77 VanDerWaalsContact O-N 3.08Å; D77-N92 CarbonylContact O-C 3.51Å; D77-N92 WeakPolarHBondContact O-CA 3.19Å; D77-L93 PolarHBondContact O-N 2.96Å; D77-A94 HydrophobicContact CB-CB 4.23Å
78R92.2Very high93.3Very high128 Ų12838.2 Ų38.248%0.48318%0.177SC..EExtended strand (participates in β ladder)trans-110.3108.8175.7-65.3-169.8-176.5-124.52.4110.1T72 M73 A75 W91T72-R78 CarbonylContact C-O 3.52Å; T72-R78 VanDerWaalsContact CA-O 3.28Å; T72-R78 WeakPolarHBondContact CA-O 3.46Å; M73-R78 HydrophobicContact CB-CB 4.02Å; M73-R78 PolarHBondContact N-O 3.04Å; A75-R78 PolarHBondContact O-N 3.33Å; R78-W91 WeakPolarHBondContact CA-O 3.24Å
79L96.3Very high93.3Very high2 Ų237.4 Ų37.41%0.0117%0.174CC..EExtended strand (participates in β ladder)trans-112.9146.7-178.5-177.472.5000110F37 V45 L59 V70 T72 W91 L93F37-L79 HydrophobicContact CD1-CD1 3.95Å; F37-L79 HydrophobicContact CD1-CD2 3.77Å; F37-L79 HydrophobicContact CD1-CG 4.5Å; F37-L79 HydrophobicContact CD2-CD1 4.21Å; F37-L79 HydrophobicContact CE1-CD1 4.17Å; F37-L79 HydrophobicContact CE1-CD2 3.92Å; F37-L79 HydrophobicContact CE2-CD1 4.41Å; F37-L79 HydrophobicContact CG-CD1 3.97Å; F37-L79 HydrophobicContact CZ-CD1 4.39Å; V45-L79 HydrophobicContact CG1-CD2 3.97Å; L59-L79 HydrophobicContact CD1-CD2 3.98Å; V70-L79 HydrophobicContact CB-CD1 4.44Å; T72-L79 HydrophobicContact CG2-CD1 4.07Å; L79-W91 HydrophobicContact CB-CB 4.08Å; L79-W91 HydrophobicContact CB-CG 4.28Å; L79-W91 HydrophobicContact CD2-CG 4.42Å; L79-W91 PolarHBondContact N-O 2.76Å; L79-W91 VanDerWaalsContact N-O 3.15Å; L79-W91 VanDerWaalsContact O-CD1 3.28Å; L79-W91 PolarHBondContact O-N 3.05Å; L79-L93 HydrophobicContact CB-CD1 4.16Å; L79-L93 HydrophobicContact CD2-CD1 4.32Å
80L97.9Very high93.3Very high0 Ų037.6 Ų37.60%018%0.176CC..EExtended strand (participates in β ladder)trans-111.7141.3162.3-61.1175.1000108.9W69 V70 E71 M73 I88 C89 L90 L116 M126 L141W69-L80 HydrophobicContact CH2-CB 4.19Å; W69-L80 HydrophobicContact CH2-CD1 3.99Å; W69-L80 HydrophobicContact CZ3-CB 3.62Å; W69-L80 HydrophobicContact CZ3-CD1 4.12Å; V70-L80 VanDerWaalsContact CA-O 3.26Å; V70-L80 WeakPolarHBondContact CA-O 3.23Å; E71-L80 PolarHBondContact N-O 3.03Å; E71-L80 PolarHBondContact O-N 2.94Å; M73-L80 HydrophobicContact CG-CD1 3.88Å; M73-L80 HydrophobicContact CG-CG 3.94Å; M73-L80 HydrophobicContact SD-CD1 3.83Å; M73-L80 HydrophobicContact SD-CD2 3.81Å; M73-L80 HydrophobicContact SD-CG 3.8Å; L80-I88 HydrophobicContact CB-CG2 4.48Å; L80-I88 HydrophobicContact CD2-CG2 4.41Å; L80-C89 WeakPolarHBondContact CA-O 3.45Å; L80-L90 HydrophobicContact CD2-CB 4.4Å; L80-L90 HydrophobicContact CD2-CD1 3.8Å; L80-L90 HydrophobicContact CD2-CG 3.55Å; L80-L116 HydrophobicContact CD1-CD1 3.95Å; L80-L116 HydrophobicContact CD1-CD2 4.11Å; L80-M126 HydrophobicContact CD1-SD 4.12Å; L80-L141 HydrophobicContact CD1-CD1 3.95Å; L80-L141 HydrophobicContact CD2-CD1 4.46Å
81S98.3Very high93.2Very high0 Ų037.7 Ų37.70%018%0.176CC..EExtended strand (participates in β ladder)trans-138.5135.4169.265.70000111.4H62 W69 I88 C89 W91H62-S81 PolarHBondContact CE1-O 3.23Å; H62-S81 WeakPolarHBondContact NE2-CB 3.48Å; H62-S81 PolarHBondContact NE2-O 2.88Å; H62-S81 PolarHBondContact NE2-OG 3.1Å; W69-S81 CarbonylContact O-C 3.6Å; W69-S81 WeakPolarHBondContact O-CA 3.32Å; S81-I88 CarbonylContact O-C 3.57Å; S81-I88 VanDerWaalsContact O-CA 3.24Å; S81-I88 WeakPolarHBondContact O-CA 3.39Å; S81-C89 PolarHBondContact N-O 2.64Å; S81-C89 PolarHBondContact O-N 3.29Å; S81-W91 WeakPolarHBondContact OG-CZ2 3.39Å; S81-W91 PolarHBondContact OG-NE1 3.29Å
82Q97.9Very high93Very high6 Ų637.4 Ų37.43%0.02818%0.176CC..EExtended strand (participates in β ladder)trans-108.1126.6178.5-167.2-175.52.400109.8V67 Y68 W69 I88 C112 C114V67-Q82 WeakPolarHBondContact CG1-O 3.28Å; Y68-Q82 HydrophobicContact CE1-CG 4.33Å; Y68-Q82 HydrophobicContact CE2-CB 4.27Å; Y68-Q82 HydrophobicContact CE2-CG 3.66Å; Y68-Q82 PolarHBondContact N-O 3.02Å; Y68-Q82 WeakPolarHBondContact OH-CG 3.04Å; Y68-Q82 PolarHBondContact OH-NE2 2.77Å; W69-Q82 HydrophobicContact CB-CB 3.89Å; W69-Q82 HydrophobicContact CE3-CB 4.11Å; W69-Q82 PolarHBondContact N-O 2.9Å; W69-Q82 PolarHBondContact O-N 2.77Å; Q82-I88 HydrophobicContact CB-CG1 4.17Å; Q82-I88 HydrophobicContact CG-CG1 3.82Å; Q82-C112 PolarHBondContact NE2-O 2.66Å; Q82-C112 PolarHBondContact OE1-O 3.02Å; Q82-C114 PolarHBondContact OE1-SG 3.41Å
83G96.8Very high92.8Very high0 Ų037.8 Ų37.80%018%0.177CC..EExtended strand (participates in β ladder)trans-120.9164.2-176.700000114.2H62 S66 Y68 D85 Q86 R87H62-G83 PolarHBondContact CE1-N 2.97Å; H62-G83 VanDerWaalsContact CE1-N 3.31Å; S66-G83 CarbonylContact O-C 3.44Å; S66-G83 VanDerWaalsContact O-CA 3.32Å; S66-G83 WeakPolarHBondContact O-CA 3.35Å; Y68-G83 WeakPolarHBondContact CE1-O 3.31Å; G83-D85 VanDerWaalsContact CA-OD1 3.28Å; G83-D85 WeakPolarHBondContact CA-OD1 3.42Å; G83-D85 PolarHBondContact O-N 2.8Å; G83-Q86 PolarHBondContact O-N 3.06Å; G83-R87 PolarHBondContact N-O 3.4Å
84R95.8Very high92.8Very high89 Ų8938.4 Ų38.434%0.33618%0.184SC..THydrogen-bonded Turntrans-72.50.3173.5-67.4-67.3-66160.11.5112.8K65 S66 Y68 Q86 V109 G110K65-R84 HydrophobicContact CB-CB 4.06Å; S66-R84 WeakPolarHBondContact O-CG 3.49Å; S66-R84 PolarHBondContact O-N 3.39Å; Y68-R84 HydrophobicContact CD1-CG 3.88Å; Y68-R84 HydrophobicContact CE1-CG 3.96Å; R84-Q86 PolarHBondContact O-N 3.31Å; R84-V109 PolarHBondContact NH1-O 3.31Å; R84-V109 PolarHBondContact NH2-O 3.05Å; R84-G110 PolarHBondContact NH1-O 3.24Å
85D95.2Very high93Very high32 Ų3242.5 Ų42.517%0.17120%0.201CC..THydrogen-bonded Turntrans-82.710.3170.465.2-25.7000113.1H62 K65 G83 R87H62-D85 WeakPolarHBondContact CA-OD2 3.11Å; H62-D85 IonicContact CE1-OD1 2.97Å; H62-D85 IonicContact CG-OD1 3.27Å; H62-D85 IonicContact CG-OD2 2.66Å; H62-D85 IonicContact ND1-OD1 3.82Å; H62-D85 PolarHBondContact ND1-OD1 2.96Å; H62-D85 IonicContact ND1-OD2 2.83Å; H62-D85 PolarHBondContact ND1-OD2 2.81Å; K65-D85 HydrophobicContact CB-CB 3.93Å; K65-D85 HydrophobicContact CG-CB 3.88Å; G83-D85 VanDerWaalsContact CA-OD1 3.28Å; G83-D85 WeakPolarHBondContact CA-OD1 3.42Å; G83-D85 PolarHBondContact O-N 2.8Å; D85-R87 VanDerWaalsContact C-N 3.27Å; D85-R87 PolarHBondContact O-N 2.92Å; D85-R87 PolarHBondContact OD1-N 3.39Å
86Q94.3Very high93.3Very high69 Ų6943.2 Ų43.232%0.32221%0.213SC..SBendtrans64.430.5-179.3-68.4170.580.800112.9G83 R84 F105 T106 V109G83-Q86 PolarHBondContact O-N 3.06Å; R84-Q86 PolarHBondContact O-N 3.31Å; Q86-F105 HydrophobicContact CB-CD2 4.27Å; Q86-F105 HydrophobicContact CB-CE2 3.62Å; Q86-F105 HydrophobicContact CB-CZ 4.07Å; Q86-F105 WeakPolarHBondContact O-CD2 3.36Å; Q86-T106 VanDerWaalsContact C-OG1 3.22Å; Q86-T106 VanDerWaalsContact CA-OG1 3.29Å; Q86-T106 WeakPolarHBondContact CA-OG1 3.42Å; Q86-T106 VanDerWaalsContact CB-O 3.27Å; Q86-T106 WeakPolarHBondContact CB-O 3.39Å; Q86-T106 PolarHBondContact O-N 3.07Å; Q86-T106 PolarHBondContact O-OG1 2.79Å; Q86-V109 HydrophobicContact CG-CG1 4.4Å
87R95.8Very high93.8Very high122 Ų12245.8 Ų45.846%0.4622%0.221SC..EExtended strand (participates in β ladder)trans-129.1142.7179.3-63.2-179.8179.6-160.6-2111.4H62 G83 D85 V104H62-R87 PolarHBondContact CE1-O 3.5Å; G83-R87 PolarHBondContact N-O 3.4Å; D85-R87 VanDerWaalsContact C-N 3.27Å; D85-R87 PolarHBondContact O-N 2.92Å; D85-R87 PolarHBondContact OD1-N 3.39Å; R87-V104 WeakPolarHBondContact CA-O 3.42Å
88I97.3Very high94.1Very high0 Ų046.6 Ų46.60%023%0.228CC..EExtended strand (participates in β ladder)trans-102108.5157.1-59.4156000106.1L80 S81 Q82 S103 V104 T106 C114 M126 M128L80-I88 HydrophobicContact CB-CG2 4.48Å; L80-I88 HydrophobicContact CD2-CG2 4.41Å; S81-I88 CarbonylContact O-C 3.57Å; S81-I88 VanDerWaalsContact O-CA 3.24Å; S81-I88 WeakPolarHBondContact O-CA 3.39Å; Q82-I88 HydrophobicContact CB-CG1 4.17Å; Q82-I88 HydrophobicContact CG-CG1 3.82Å; I88-S103 CarbonylContact O-C 3.52Å; I88-S103 WeakPolarHBondContact O-CA 2.91Å; I88-V104 HydrophobicContact CB-CB 4.28Å; I88-V104 PolarHBondContact N-O 2.6Å; I88-V104 PolarHBondContact O-N 3.06Å; I88-T106 HydrophobicContact CD1-CG2 3.51Å; I88-T106 HydrophobicContact CG1-CG2 3.65Å; I88-C114 WeakPolarHBondContact CD1-SG 3.46Å; I88-M126 HydrophobicContact CD1-CE 3.71Å; I88-M126 HydrophobicContact CD1-SD 4.09Å; I88-M126 HydrophobicContact CG2-CE 4.41Å; I88-M126 HydrophobicContact CG2-SD 4.17Å; I88-M128 HydrophobicContact CD1-CE 4.34Å; I88-M128 HydrophobicContact CD1-SD 3.55Å; I88-M128 VanDerWaalsContact CD1-SD 3.55Å
89C97.6Very high94.1Very high1 Ų144 Ų441%0.00723%0.229CC..EExtended strand (participates in β ladder)trans-84.7133.1179.1-69.50000109.8H62 L80 S81 W91 V100H62-C89 PolarHBondContact CE1-SG 3.46Å; L80-C89 WeakPolarHBondContact CA-O 3.45Å; S81-C89 PolarHBondContact N-O 2.64Å; S81-C89 PolarHBondContact O-N 3.29Å; C89-W91 HydrophobicContact CB-CZ2 3.96Å; C89-W91 PolarHBondContact O-NE1 2.66Å; C89-V100 HydrophobicContact CB-CG1 3.88Å; C89-V100 HydrophobicContact CB-CG2 3.91Å
90L97Very high94Very high20 Ų2046.2 Ų46.211%0.10524%0.243CC..EExtended strand (participates in β ladder)trans-99.7128.2172.5-76.464.8000107.6L80 T101 D102 V104L80-L90 HydrophobicContact CD2-CB 4.4Å; L80-L90 HydrophobicContact CD2-CD1 3.8Å; L80-L90 HydrophobicContact CD2-CG 3.55Å; L90-T101 PolarHBondContact O-N 3.15Å; L90-T101 PolarHBondContact O-OG1 2.87Å; L90-D102 HydrophobicContact CB-CB 4.1Å; L90-D102 WeakPolarHBondContact CB-O 3.29Å; L90-D102 HydrophobicContact CD2-CB 4.2Å; L90-D102 PolarHBondContact N-O 2.94Å; L90-D102 PolarHBondContact O-N 3.24Å; L90-V104 HydrophobicContact CD1-CG2 4.29Å
91W96Very high93.9Very high6 Ų650.1 Ų50.12%0.02327%0.267CS..EExtended strand (participates in β ladder)trans-119.1139.4-178.5-44.776.5000110L59 R78 L79 S81 C89 L93 T98 V100L59-W91 HydrophobicContact CB-CE3 4.31Å; L59-W91 HydrophobicContact CB-CH2 3.83Å; L59-W91 HydrophobicContact CB-CZ3 3.72Å; L59-W91 HydrophobicContact CD1-CD2 4.36Å; L59-W91 HydrophobicContact CD1-CE3 4.2Å; L59-W91 HydrophobicContact CD1-CZ3 4.44Å; R78-W91 WeakPolarHBondContact CA-O 3.24Å; L79-W91 HydrophobicContact CB-CB 4.08Å; L79-W91 HydrophobicContact CB-CG 4.28Å; L79-W91 HydrophobicContact CD2-CG 4.42Å; L79-W91 PolarHBondContact N-O 2.76Å; L79-W91 VanDerWaalsContact N-O 3.15Å; L79-W91 VanDerWaalsContact O-CD1 3.28Å; L79-W91 PolarHBondContact O-N 3.05Å; S81-W91 WeakPolarHBondContact OG-CZ2 3.39Å; S81-W91 PolarHBondContact OG-NE1 3.29Å; C89-W91 HydrophobicContact CB-CZ2 3.96Å; C89-W91 PolarHBondContact O-NE1 2.66Å; W91-L93 HydrophobicContact CB-CD2 3.91Å; W91-L93 HydrophobicContact CB-CG 4.28Å; W91-T98 WeakPolarHBondContact CZ3-O 3.41Å; W91-V100 HydrophobicContact CD2-CG2 4.14Å; W91-V100 HydrophobicContact CE3-CG2 3.86Å; W91-V100 HydrophobicContact CH2-CG2 3.57Å; W91-V100 HydrophobicContact CZ2-CG2 3.81Å; W91-V100 HydrophobicContact CZ3-CG2 3.56Å
92N93.1Very high93.8Very high43 Ų4353.1 Ų53.123%0.2328%0.283CS..EExtended strand (participates in β ladder)trans-112.3110.8161.2-176.3-12.4000107.5D77 A94 R97 T101D77-N92 CarbonylContact O-C 3.51Å; D77-N92 WeakPolarHBondContact O-CA 3.19Å; N92-A94 WeakPolarHBondContact OD1-CB 3.42Å; N92-A94 PolarHBondContact OD1-N 3Å; N92-R97 WeakPolarHBondContact O-CB 3.44Å; N92-T101 HydrophobicContact CB-CG2 3.64Å
93L91.8Very high93.8Very high27 Ų2754.9 Ų54.914%0.14130%0.296CS..  trans-97.13.7-178.1-49.3178.6000112.3F37 L59 D77 L79 W91 E95 G96 R97F37-L93 HydrophobicContact CE1-CD1 3.75Å; F37-L93 HydrophobicContact CZ-CD1 4.16Å; L59-L93 HydrophobicContact CD1-CD1 4.2Å; L59-L93 HydrophobicContact CD1-CD2 3.72Å; L59-L93 HydrophobicContact CD2-CD2 3.95Å; D77-L93 PolarHBondContact O-N 2.96Å; L79-L93 HydrophobicContact CB-CD1 4.16Å; L79-L93 HydrophobicContact CD2-CD1 4.32Å; W91-L93 HydrophobicContact CB-CD2 3.91Å; W91-L93 HydrophobicContact CB-CG 4.28Å; L93-E95 PolarHBondContact O-N 3.01Å; L93-G96 PolarHBondContact O-N 2.9Å; L93-R97 WeakPolarHBondContact CA-O 3.5Å; L93-R97 WeakPolarHBondContact CD2-O 3.31Å
94A89.3Confident93.7Very high26 Ų2655.5 Ų55.522%0.21530%0.3CS..G310 helixtrans-57.3140.2175.600000109.8D77 N92 G96 R97D77-A94 HydrophobicContact CB-CB 4.23Å; N92-A94 WeakPolarHBondContact OD1-CB 3.42Å; N92-A94 PolarHBondContact OD1-N 3Å; A94-G96 PolarHBondContact O-N 2.84Å; A94-R97 WeakPolarHBondContact O-CG 3.45Å; A94-R97 PolarHBondContact O-N 2.89Å; A94-R97 PolarHBondContact O-NH1 3Å
95E86.3Confident93.7Very high172 Ų17256.8 Ų56.880%0.80431%0.308SS*.G310 helixtrans59.426.5-180-54.8166.9165.600113.1L93 R97L93-E95 PolarHBondContact O-N 3.01Å; E95-R97 VanDerWaalsContact C-N 3.31Å; E95-R97 PolarHBondContact O-N 3.25Å; E95-R97 IonicContact OE2-CZ 2.66Å; E95-R97 IonicContact OE2-NH1 3.05Å; E95-R97 PolarHBondContact OE2-NH1 2.95Å; E95-R97 IonicContact OE2-NH2 3.01Å; E95-R97 PolarHBondContact OE2-NH2 2.74Å
96G84.1Confident93.4Very high61 Ų6155.5 Ų55.563%0.62930%0.301SS*.G310 helixtrans7616.117600000114.5L93 A94L93-G96 PolarHBondContact O-N 2.9Å; A94-G96 PolarHBondContact O-N 2.84Å
97R90.6Very high92.7Very high106 Ų10656.9 Ų56.940%0.431%0.308SS..  trans-61143.8172.7-71.9178.2-171.591.81.7110.8N92 L93 A94 E95N92-R97 WeakPolarHBondContact O-CB 3.44Å; L93-R97 WeakPolarHBondContact CA-O 3.5Å; L93-R97 WeakPolarHBondContact CD2-O 3.31Å; A94-R97 WeakPolarHBondContact O-CG 3.45Å; A94-R97 PolarHBondContact O-N 2.89Å; A94-R97 PolarHBondContact O-NH1 3Å; E95-R97 VanDerWaalsContact C-N 3.31Å; E95-R97 PolarHBondContact O-N 3.25Å; E95-R97 IonicContact OE2-CZ 2.66Å; E95-R97 IonicContact OE2-NH1 3.05Å; E95-R97 PolarHBondContact OE2-NH1 2.95Å; E95-R97 IonicContact OE2-NH2 3.01Å; E95-R97 PolarHBondContact OE2-NH2 2.74Å
98T91.9Very high92.3Very high68 Ų6851.8 Ų51.842%0.41729%0.289SS..  trans-129.91.5-175.558.90000113.8T57 L59 W91T57-T98 HydrophobicContact CG2-CG2 3.61Å; L59-T98 HydrophobicContact CD2-CG2 3.85Å; W91-T98 WeakPolarHBondContact CZ3-O 3.41Å
99S92.1Very high91.6Very high73 Ų7356 Ų5651%0.5132%0.315SS..SBendtrans-90.3143.3-179.957.30000111.8T101S99-T101 PolarHBondContact O-N 2.75Å
100V95.9Very high91Very high49 Ų4956.2 Ų56.230%0.29732%0.317SS..EExtended strand (participates in β ladder)trans-58.4125.1166.5-179.70000109.2C89 W91 D102C89-V100 HydrophobicContact CB-CG1 3.88Å; C89-V100 HydrophobicContact CB-CG2 3.91Å; W91-V100 HydrophobicContact CD2-CG2 4.14Å; W91-V100 HydrophobicContact CE3-CG2 3.86Å; W91-V100 HydrophobicContact CH2-CG2 3.57Å; W91-V100 HydrophobicContact CZ2-CG2 3.81Å; W91-V100 HydrophobicContact CZ3-CG2 3.56Å; V100-D102 WeakPolarHBondContact CG1-O 3.43Å
101T95.6Very high90.6Very high83 Ų8361.5 Ų61.551%0.50934%0.34SS..EExtended strand (participates in β ladder)trans-86.9-31178.447.60000113L90 N92 S99L90-T101 PolarHBondContact O-N 3.15Å; L90-T101 PolarHBondContact O-OG1 2.87Å; N92-T101 HydrophobicContact CB-CG2 3.64Å; S99-T101 PolarHBondContact O-N 2.75Å
102D96.2Very high90.6Very high63 Ų6361.3 Ų61.334%0.33734%0.339SS..EExtended strand (participates in β ladder)trans-161.7169.6-177.4-162.6-4.3000109.2L90 V100 K144L90-D102 HydrophobicContact CB-CB 4.1Å; L90-D102 WeakPolarHBondContact CB-O 3.29Å; L90-D102 HydrophobicContact CD2-CB 4.2Å; L90-D102 PolarHBondContact N-O 2.94Å; L90-D102 PolarHBondContact O-N 3.24Å; V100-D102 WeakPolarHBondContact CG1-O 3.43Å; D102-K144 IonicContact OD1-NZ 2.67Å; D102-K144 PolarHBondContact OD1-NZ 2.79Å; D102-K144 VanDerWaalsContact OD2-CE 3.23Å; D102-K144 WeakPolarHBondContact OD2-CE 3.48Å; D102-K144 IonicContact OD2-NZ 3.16Å; D102-K144 PolarHBondContact OD2-NZ 3.03Å
103S96.4Very high90.7Very high42 Ų4262 Ų6229%0.29434%0.339SS..EExtended strand (participates in β ladder)trans-148.7156.417561.40000112.6I88I88-S103 CarbonylContact O-C 3.52Å; I88-S103 WeakPolarHBondContact O-CA 2.91Å
104V96.3Very high91Very high14 Ų1460.9 Ų60.99%0.08533%0.333CS..EExtended strand (participates in β ladder)trans-111.4129.1166.3-179.30000107.7R87 I88 L90 M126 M128 L139 K144R87-V104 WeakPolarHBondContact CA-O 3.42Å; I88-V104 HydrophobicContact CB-CB 4.28Å; I88-V104 PolarHBondContact N-O 2.6Å; I88-V104 PolarHBondContact O-N 3.06Å; L90-V104 HydrophobicContact CD1-CG2 4.29Å; V104-M126 HydrophobicContact CG2-CE 4.33Å; V104-M128 HydrophobicContact CG1-CE 4.07Å; V104-M128 HydrophobicContact CG1-SD 4.41Å; V104-L139 HydrophobicContact CG1-CD1 3.73Å; V104-L139 HydrophobicContact CG2-CD1 4.44Å; V104-K144 HydrophobicContact CG2-CD 3.78Å; V104-K144 HydrophobicContact CG2-CG 3.97Å
105F94.2Very high91.4Very high116 Ų11660.1 Ų60.151%0.50933%0.326SS..EExtended strand (participates in β ladder)trans-80.1132.5174.8-171.8-112.1000110Q86 E107Q86-F105 HydrophobicContact CB-CD2 4.27Å; Q86-F105 HydrophobicContact CB-CE2 3.62Å; Q86-F105 HydrophobicContact CB-CZ 4.07Å; Q86-F105 WeakPolarHBondContact O-CD2 3.36Å; F105-E107 HydrophobicContact CD1-CG 3.86Å; F105-E107 HydrophobicContact CE1-CG 3.75Å
106T88.9Confident92Very high5 Ų552.7 Ų52.73%0.03129%0.292CS..  trans-107.9111.8176.368.60000108.6Q86 I88 N108 M128Q86-T106 VanDerWaalsContact C-OG1 3.22Å; Q86-T106 VanDerWaalsContact CA-OG1 3.29Å; Q86-T106 WeakPolarHBondContact CA-OG1 3.42Å; Q86-T106 VanDerWaalsContact CB-O 3.27Å; Q86-T106 WeakPolarHBondContact CB-O 3.39Å; Q86-T106 PolarHBondContact O-N 3.07Å; Q86-T106 PolarHBondContact O-OG1 2.79Å; I88-T106 HydrophobicContact CD1-CG2 3.51Å; I88-T106 HydrophobicContact CG1-CG2 3.65Å; T106-N108 PolarHBondContact O-N 3.25Å; T106-M128 HydrophobicContact CG2-SD 4.07Å
107E81.1Confident92.5Very high98 Ų9851 Ų5146%0.45827%0.268SS..  trans-73.8-2.3178.1-66.1-173.9100.800113.4F105 K131F105-E107 HydrophobicContact CD1-CG 3.86Å; F105-E107 HydrophobicContact CE1-CG 3.75Å; E107-K131 HydrophobicContact CB-CB 3.77Å; E107-K131 HydrophobicContact CB-CD 4.47Å; E107-K131 HydrophobicContact CB-CG 3.91Å; E107-K131 WeakPolarHBondContact OE1-CD 3.37Å; E107-K131 WeakPolarHBondContact OE1-CE 3.41Å; E107-K131 IonicContact OE1-NZ 2.81Å; E107-K131 PolarHBondContact OE1-NZ 2.94Å
108N85.6Confident92.7Very high14 Ų1450.3 Ų50.38%0.07527%0.268CS..  trans-92.1136.8178.7-165.7-77.3000111.4T106 G110 A129 A130T106-N108 PolarHBondContact O-N 3.25Å; N108-G110 VanDerWaalsContact OD1-CA 3.31Å; N108-G110 WeakPolarHBondContact OD1-CA 3.34Å; N108-G110 PolarHBondContact OD1-N 3.46Å; N108-A129 HydrophobicContact CB-CB 3.95Å; N108-A130 WeakPolarHBondContact CB-O 3.32Å; N108-A130 PolarHBondContact ND2-O 3.2Å
109V82.9Confident92.8Very high88 Ų8848.1 Ų48.153%0.53325%0.254SS..  trans-106.214.9179.6-630000113.4R84 Q86R84-V109 PolarHBondContact NH1-O 3.31Å; R84-V109 PolarHBondContact NH2-O 3.05Å; Q86-V109 HydrophobicContact CG-CG1 4.4Å
110G86.5Confident92.8Very high6 Ų646.9 Ų46.96%0.06225%0.249CC..SBendtrans-78.7-172.8176.400000113.3R84 N108R84-G110 PolarHBondContact NH1-O 3.24Å; N108-G110 VanDerWaalsContact OD1-CA 3.31Å; N108-G110 WeakPolarHBondContact OD1-CA 3.34Å; N108-G110 PolarHBondContact OD1-N 3.46Å
111F86.9Confident92.5Very high131 Ų13153.3 Ų53.358%0.57528%0.276SS*.  trans-105.79.1178.8-61.2-82.7000112.8R113F111-R113 PolarHBondContact O-N 3.06Å; F111-R113 VanDerWaalsContact O-N 3.11Å
112C96.1Very high92.2Very high2 Ų251.1 Ų51.11%0.01427%0.27CS..  trans-61.4113.7-178.5-161.50000110.7Q82 A129 P161Q82-C112 PolarHBondContact NE2-O 2.66Å; Q82-C112 PolarHBondContact OE1-O 3.02Å; C112-A129 HydrophobicContact CB-CB 3.8Å; C112-P161 WeakPolarHBondContact CB-O 3.4Å; C112-P161 PolarHBondContact SG-O 3.08Å; C112-P161 VanDerWaalsContact SG-O 3.35Å
113R96.9Very high92.1Very high58 Ų5853.8 Ų53.822%0.21928%0.275CS..  trans-70.4138.7174.4-65.4179.7176.8160.12.4109.5H20 Y68 W69 F111 D254 H295H20-R113 PolarHBondContact O-NH2 2.95Å; Y68-R113 HydrophobicContact CD2-CG 4.32Å; Y68-R113 PolarHBondContact O-NE 3.14Å; Y68-R113 VanDerWaalsContact O-NE 3.16Å; W69-R113 HydrophobicContact CB-CB 4.17Å; W69-R113 HydrophobicContact CB-CG 4.13Å; W69-R113 HydrophobicContact CG-CB 4.14Å; F111-R113 PolarHBondContact O-N 3.06Å; F111-R113 VanDerWaalsContact O-N 3.11Å; R113-D254 IonicContact CZ-OD2 2.85Å; R113-D254 IonicContact NH1-OD1 3.73Å; R113-D254 PolarHBondContact NH1-OD1 3.12Å; R113-D254 VanDerWaalsContact NH1-OD1 3.16Å; R113-D254 IonicContact NH1-OD2 2.73Å; R113-D254 PolarHBondContact NH1-OD2 2.87Å; R113-D254 IonicContact NH2-OD2 2.66Å; R113-H295 PolarHBondContact NH2-O 3.19Å; R113-H295 VanDerWaalsContact NH2-O 3.17Å
114C97.6Very high92.1Very high4 Ų452.6 Ų52.63%0.02726%0.264CS..  trans-60.1158.8170.5-67.10000110.9W69 Q82 I88 M126 A127W69-C114 HydrophobicContact CD2-CB 3.96Å; W69-C114 VanDerWaalsContact CE2-O 3.28Å; W69-C114 HydrophobicContact CE3-CB 3.9Å; W69-C114 HydrophobicContact CH2-CB 3.81Å; W69-C114 HydrophobicContact CZ2-CB 3.85Å; W69-C114 HydrophobicContact CZ3-CB 3.84Å; W69-C114 PolarHBondContact NE1-O 2.66Å; Q82-C114 PolarHBondContact OE1-SG 3.41Å; I88-C114 WeakPolarHBondContact CD1-SG 3.46Å; C114-M126 HydrophobicContact CB-CG 4.31Å; C114-A127 VanDerWaalsContact CA-O 3.29Å; C114-A127 WeakPolarHBondContact CA-O 3.48Å
115S97.9Very high92.1Very high9 Ų952.5 Ų52.56%0.06326%0.263CS..EExtended strand (participates in β ladder)trans-125.6133.6166.6-1720000109.2M126 A127 K165 L166S115-M126 CarbonylContact O-C 3.59Å; S115-M126 WeakPolarHBondContact O-CA 3.44Å; S115-A127 PolarHBondContact N-O 3.19Å; S115-A127 PolarHBondContact O-N 3.13Å; S115-K165 WeakPolarHBondContact OG-CA 3.25Å; S115-L166 VanDerWaalsContact O-CD1 3.27Å; S115-L166 WeakPolarHBondContact O-CD1 3.4Å; S115-L166 PolarHBondContact OG-N 2.9Å
116L97.6Very high92.3Very high16 Ų1647 Ų478%0.08424%0.239CC..EExtended strand (participates in β ladder)trans-111.7141.7-179.7-171.472.8000110W69 E71 M73 L80 W124 L125 M126 L141W69-L116 HydrophobicContact CH2-CB 4.24Å; W69-L116 HydrophobicContact CZ2-CB 4.22Å; E71-L116 HydrophobicContact CG-CD2 4.25Å; M73-L116 HydrophobicContact CG-CD2 3.93Å; L80-L116 HydrophobicContact CD1-CD1 3.95Å; L80-L116 HydrophobicContact CD1-CD2 4.11Å; L116-W124 HydrophobicContact CD1-CB 3.86Å; L116-W124 HydrophobicContact CD1-CG 4.37Å; L116-L125 CarbonylContact C-O 3.57Å; L116-L125 WeakPolarHBondContact CA-O 3.39Å; L116-M126 HydrophobicContact CD1-CB 4.11Å; L116-L141 HydrophobicContact CD1-CD1 4.15Å
117L96.1Very high92.7Very high25 Ų2546.7 Ų46.713%0.13124%0.238CC..EExtended strand (participates in β ladder)trans-139123.4173.1177.868.7000110.2V119 W124 L125 L166 Q168 P175L117-V119 HydrophobicContact CD2-CG1 4.01Å; L117-V119 HydrophobicContact CG-CG1 4.12Å; L117-V119 PolarHBondContact O-N 3.06Å; L117-W124 CarbonylContact O-C 3.55Å; L117-W124 VanDerWaalsContact O-CA 3.23Å; L117-W124 WeakPolarHBondContact O-CA 3.36Å; L117-L125 PolarHBondContact N-O 3.01Å; L117-L125 PolarHBondContact O-N 3.36Å; L117-L166 HydrophobicContact CB-CB 3.66Å; L117-L166 HydrophobicContact CB-CD1 3.92Å; L117-L166 HydrophobicContact CB-CG 4.42Å; L117-L166 HydrophobicContact CD2-CB 4.27Å; L117-Q168 HydrophobicContact CD1-CG 4.27Å; L117-Q168 HydrophobicContact CD2-CB 4.15Å; L117-Q168 HydrophobicContact CD2-CG 4.28Å; L117-P175 HydrophobicContact CD2-CB 3.9Å; L117-P175 HydrophobicContact CD2-CG 4.43Å
118K94.4Very high93.5Very high92 Ų9242.2 Ų42.240%0.422%0.216SC..EExtended strand (participates in β ladder)trans-75.1116.5168.6-170.9-176.5-167.8164.40109.5D74 A120 Q168D74-K118 WeakPolarHBondContact OD1-CD 3.31Å; D74-K118 WeakPolarHBondContact OD1-CE 3.49Å; D74-K118 IonicContact OD1-NZ 3.67Å; D74-K118 PolarHBondContact OD1-NZ 3.11Å; D74-K118 WeakPolarHBondContact OD2-CE 3.26Å; D74-K118 IonicContact OD2-NZ 3.77Å; D74-K118 PolarHBondContact OD2-NZ 2.83Å; K118-A120 WeakPolarHBondContact CE-O 3.08Å; K118-A120 WeakPolarHBondContact CG-O 3.24Å; K118-Q168 PolarHBondContact O-NE2 2.84Å
119V93.7Very high94Very high22 Ų2241.8 Ų41.813%0.13322%0.215CC..EExtended strand (participates in β ladder)trans-101.3-26.4-178.9-66.70000112.8L117 R123 L125 P175L117-V119 HydrophobicContact CD2-CG1 4.01Å; L117-V119 HydrophobicContact CG-CG1 4.12Å; L117-V119 PolarHBondContact O-N 3.06Å; V119-R123 HydrophobicContact CG2-CB 4.13Å; V119-R123 HydrophobicContact CG2-CG 3.72Å; V119-R123 WeakPolarHBondContact CG2-O 3.41Å; V119-R123 PolarHBondContact N-O 3.41Å; V119-L125 HydrophobicContact CG1-CB 4.45Å; V119-L125 HydrophobicContact CG1-CD1 3.72Å; V119-L125 HydrophobicContact CG1-CG 3.73Å; V119-L125 HydrophobicContact CG2-CG 4.26Å; V119-P175 HydrophobicContact CG1-CG 4Å
120A91.5Very high94.4Very high48 Ų4838 Ų3840%0.39719%0.193SC..EExtended strand (participates in β ladder)trans-154.8174.3170.900000109.8K118 G122 R123K118-A120 WeakPolarHBondContact CE-O 3.08Å; K118-A120 WeakPolarHBondContact CG-O 3.24Å; A120-G122 PolarHBondContact O-N 3.39Å; A120-R123 HydrophobicContact CB-CB 4.12Å; A120-R123 PolarHBondContact N-O 3.2Å; A120-R123 PolarHBondContact O-N 2.62Å; A120-R123 VanDerWaalsContact O-N 3.09Å; A120-R123 VanDerWaalsContact O-O 3.07Å
121Q90.4Very high94.5Very high183 Ų18344.2 Ų44.286%0.85522%0.218SC*.THydrogen-bonded Turntrans-58.2123.2173.3-173.3175.78.700110.1R123Q121-R123 PolarHBondContact O-N 3.09Å
122G89.9Confident94.5Very high38 Ų3840.5 Ų40.539%0.39221%0.208SC..THydrogen-bonded Turntrans71.111.2-179.400000115.3A120 W124A120-G122 PolarHBondContact O-N 3.39Å; G122-W124 VanDerWaalsContact C-CE3 3.46Å; G122-W124 VanDerWaalsContact CA-CH2 3.49Å; G122-W124 VanDerWaalsContact CA-CZ3 3.48Å; G122-W124 WeakPolarHBondContact O-CZ3 3.22Å
123R93.2Very high94.1Very high119 Ų11944.5 Ų44.545%0.44923%0.229SC..EExtended strand (participates in β ladder)trans-133.5125.2-178.6-169.3-175.6178-158.10.4111.2V119 A120 Q121 E140V119-R123 HydrophobicContact CG2-CB 4.13Å; V119-R123 HydrophobicContact CG2-CG 3.72Å; V119-R123 WeakPolarHBondContact CG2-O 3.41Å; V119-R123 PolarHBondContact N-O 3.41Å; A120-R123 HydrophobicContact CB-CB 4.12Å; A120-R123 PolarHBondContact N-O 3.2Å; A120-R123 PolarHBondContact O-N 2.62Å; A120-R123 VanDerWaalsContact O-N 3.09Å; A120-R123 VanDerWaalsContact O-O 3.07Å; Q121-R123 PolarHBondContact O-N 3.09Å; R123-E140 HydrophobicContact CG-CG 4.12Å; R123-E140 IonicContact CZ-OE1 2.74Å; R123-E140 IonicContact NE-OE1 2.81Å; R123-E140 PolarHBondContact NE-OE1 2.98Å; R123-E140 IonicContact NH2-OE1 3.8Å; R123-E140 PolarHBondContact NH2-OE1 3.17Å
124W96Very high93.8Very high17 Ų1743.7 Ų43.76%0.06423%0.228CC..EExtended strand (participates in β ladder)trans-130.3151.2-179.6-55.1-105.6000111.1M73 D74 L116 L117 G122 E140 L141M73-W124 HydrophobicContact CB-CZ2 4.06Å; M73-W124 HydrophobicContact CE-CB 4.32Å; M73-W124 HydrophobicContact CE-CD2 3.38Å; M73-W124 HydrophobicContact CE-CE3 3.27Å; M73-W124 HydrophobicContact CE-CG 3.86Å; M73-W124 HydrophobicContact CE-CH2 4.09Å; M73-W124 HydrophobicContact CE-CZ2 4.16Å; M73-W124 HydrophobicContact CE-CZ3 3.65Å; D74-W124 HydrophobicContact CB-CZ2 4.18Å; D74-W124 WeakPolarHBondContact OD1-CZ2 3.42Å; D74-W124 PolarHBondContact OD1-NE1 3.02Å; D74-W124 VanDerWaalsContact OD2-CZ2 3.27Å; D74-W124 WeakPolarHBondContact OD2-CZ2 3.29Å; L116-W124 HydrophobicContact CD1-CB 3.86Å; L116-W124 HydrophobicContact CD1-CG 4.37Å; L117-W124 CarbonylContact O-C 3.55Å; L117-W124 VanDerWaalsContact O-CA 3.23Å; L117-W124 WeakPolarHBondContact O-CA 3.36Å; G122-W124 VanDerWaalsContact C-CE3 3.46Å; G122-W124 VanDerWaalsContact CA-CH2 3.49Å; G122-W124 VanDerWaalsContact CA-CZ3 3.48Å; G122-W124 WeakPolarHBondContact O-CZ3 3.22Å; W124-E140 CarbonylContact O-C 3.55Å; W124-E140 WeakPolarHBondContact O-CA 3.26Å; W124-L141 HydrophobicContact CB-CB 4.34Å; W124-L141 PolarHBondContact N-O 3.08Å; W124-L141 VanDerWaalsContact N-O 3.15Å; W124-L141 PolarHBondContact O-N 2.84Å
125L97.3Very high93.7Very high11 Ų1145 Ų456%0.05823%0.233CC..EExtended strand (participates in β ladder)trans-103.8134.9164.7-62.6-178.6000108.6L116 L117 V119 V138 L139 E140 V147 L166 P175 L191L116-L125 CarbonylContact C-O 3.57Å; L116-L125 WeakPolarHBondContact CA-O 3.39Å; L117-L125 PolarHBondContact N-O 3.01Å; L117-L125 PolarHBondContact O-N 3.36Å; V119-L125 HydrophobicContact CG1-CB 4.45Å; V119-L125 HydrophobicContact CG1-CD1 3.72Å; V119-L125 HydrophobicContact CG1-CG 3.73Å; V119-L125 HydrophobicContact CG2-CG 4.26Å; L125-V138 HydrophobicContact CB-CG1 4.18Å; L125-V138 HydrophobicContact CD2-CG1 4.33Å; L125-L139 CarbonylContact C-O 3.54Å; L125-L139 WeakPolarHBondContact CA-O 3.48Å; L125-E140 HydrophobicContact CD2-CB 4.46Å; L125-V147 HydrophobicContact CD2-CG2 3.89Å; L125-L166 HydrophobicContact CB-CD1 4.13Å; L125-L166 WeakPolarHBondContact O-CD1 3.34Å; L125-P175 HydrophobicContact CD1-CB 3.97Å; L125-P175 HydrophobicContact CD1-CG 3.84Å; L125-L191 HydrophobicContact CD1-CD1 3.96Å
126M97.9Very high93.6Very high0 Ų044.6 Ų44.60%023%0.23CC..EExtended strand (participates in β ladder)trans-122.1117.4174.6-175.4174.867.200108.9L80 I88 V104 C114 S115 L116 M128 V138 L139 L141L80-M126 HydrophobicContact CD1-SD 4.12Å; I88-M126 HydrophobicContact CD1-CE 3.71Å; I88-M126 HydrophobicContact CD1-SD 4.09Å; I88-M126 HydrophobicContact CG2-CE 4.41Å; I88-M126 HydrophobicContact CG2-SD 4.17Å; V104-M126 HydrophobicContact CG2-CE 4.33Å; C114-M126 HydrophobicContact CB-CG 4.31Å; S115-M126 CarbonylContact O-C 3.59Å; S115-M126 WeakPolarHBondContact O-CA 3.44Å; L116-M126 HydrophobicContact CD1-CB 4.11Å; M126-M128 HydrophobicContact CE-CE 3.64Å; M126-M128 HydrophobicContact CE-SD 4.48Å; M126-V138 WeakPolarHBondContact O-CA 3.44Å; M126-L139 PolarHBondContact N-O 2.93Å; M126-L139 PolarHBondContact O-N 3.27Å; M126-L141 HydrophobicContact CB-CD1 4Å; M126-L141 HydrophobicContact CB-CG 4.37Å; M126-L141 HydrophobicContact CE-CD1 4.17Å; M126-L141 HydrophobicContact CE-CD2 4.43Å; M126-L141 HydrophobicContact SD-CD1 3.92Å
127A98.1Very high93.6Very high0 Ų046.6 Ų46.60%024%0.239CC..EExtended strand (participates in β ladder)trans-95.6135173.900000109.9C114 S115 V136 Q137 V138 L164 L166 L177C114-A127 VanDerWaalsContact CA-O 3.29Å; C114-A127 WeakPolarHBondContact CA-O 3.48Å; S115-A127 PolarHBondContact N-O 3.19Å; S115-A127 PolarHBondContact O-N 3.13Å; A127-V136 HydrophobicContact CB-CG1 4.16Å; A127-Q137 WeakPolarHBondContact CA-O 3.44Å; A127-V138 HydrophobicContact CB-CG2 4.16Å; A127-L164 HydrophobicContact CB-CD1 4.24Å; A127-L166 HydrophobicContact CB-CD1 3.86Å; A127-L166 HydrophobicContact CB-CD2 4.12Å; A127-L166 HydrophobicContact CB-CG 3.87Å; A127-L177 HydrophobicContact CB-CD1 3.86Å; A127-L177 HydrophobicContact CB-CD2 4.36Å
128M97Very high93.7Very high3 Ų345.4 Ų45.42%0.01523%0.233CC..EExtended strand (participates in β ladder)trans-147154.4178.269-172.4115.200111I88 V104 T106 M126 A130 V136 Q137 L139I88-M128 HydrophobicContact CD1-CE 4.34Å; I88-M128 HydrophobicContact CD1-SD 3.55Å; I88-M128 VanDerWaalsContact CD1-SD 3.55Å; V104-M128 HydrophobicContact CG1-CE 4.07Å; V104-M128 HydrophobicContact CG1-SD 4.41Å; T106-M128 HydrophobicContact CG2-SD 4.07Å; M126-M128 HydrophobicContact CE-CE 3.64Å; M126-M128 HydrophobicContact CE-SD 4.48Å; M128-A130 PolarHBondContact O-N 2.98Å; M128-V136 CarbonylContact O-C 3.51Å; M128-V136 WeakPolarHBondContact O-CA 3.49Å; M128-V136 WeakPolarHBondContact O-CG1 3.4Å; M128-Q137 HydrophobicContact CG-CB 4.41Å; M128-Q137 PolarHBondContact N-O 3.19Å; M128-Q137 PolarHBondContact O-N 3.32Å; M128-L139 HydrophobicContact CE-CB 4.27Å; M128-L139 HydrophobicContact CE-CD1 3.22Å; M128-L139 HydrophobicContact CE-CD2 4.46Å; M128-L139 HydrophobicContact CE-CG 3.38Å
129A95.4Very high93.8Very high6 Ų641.4 Ų41.45%0.0522%0.216CC..EExtended strand (participates in β ladder)trans-58132.6171.600000110.6N108 C112 P161N108-A129 HydrophobicContact CB-CB 3.95Å; C112-A129 HydrophobicContact CB-CB 3.8Å; A129-P161 HydrophobicContact CB-CG 3.62Å
130A92.2Very high94Very high7 Ų742.3 Ų42.36%0.05822%0.219CC..  trans-88.8179.6-179.900000111.7N108 M128 S132 E135 Q137N108-A130 WeakPolarHBondContact CB-O 3.32Å; N108-A130 PolarHBondContact ND2-O 3.2Å; M128-A130 PolarHBondContact O-N 2.98Å; A130-S132 PolarHBondContact O-N 2.84Å; A130-E135 HydrophobicContact CB-CB 3.76Å; A130-E135 WeakPolarHBondContact CB-O 3.49Å; A130-E135 PolarHBondContact N-O 3Å; A130-Q137 HydrophobicContact CB-CB 4.02Å
131K87.9Confident94.2Very high138 Ų13840 Ų4060%0.620%0.2SC*.SBendtrans-58.6-45.5177.8-174.4-177.1-164.3144.20112.9E107E107-K131 HydrophobicContact CB-CB 3.77Å; E107-K131 HydrophobicContact CB-CD 4.47Å; E107-K131 HydrophobicContact CB-CG 3.91Å; E107-K131 WeakPolarHBondContact OE1-CD 3.37Å; E107-K131 WeakPolarHBondContact OE1-CE 3.41Å; E107-K131 IonicContact OE1-NZ 2.81Å; E107-K131 PolarHBondContact OE1-NZ 2.94Å
132S87.1Confident94.3Very high52 Ų5235 Ų3536%0.36418%0.183SC..SBendtrans-73.3144.4179.2-45.10000109.7A130 E134 E135A130-S132 PolarHBondContact O-N 2.84Å; S132-E134 VanDerWaalsContact C-N 3.27Å; S132-E134 PolarHBondContact O-N 3.03Å; S132-E135 WeakPolarHBondContact CB-OE2 3.3Å; S132-E135 PolarHBondContact O-N 3.17Å; S132-E135 VanDerWaalsContact OG-CD 3.28Å; S132-E135 PolarHBondContact OG-OE2 2.85Å
133L87.5Confident94.6Very high87 Ų8735.9 Ų35.946%0.45518%0.183SC..THydrogen-bonded Turntrans-48.7-44.9-167.9-169.473.8000113.5M160 P161L133-M160 HydrophobicContact CD1-CE 3.39Å; L133-M160 HydrophobicContact CD1-CG 3.37Å; L133-M160 HydrophobicContact CD1-SD 4.21Å; L133-M160 HydrophobicContact CG-CG 4.03Å; L133-M160 VanDerWaalsContact O-CA 3.28Å; L133-M160 WeakPolarHBondContact O-CA 3.33Å; L133-P161 WeakPolarHBondContact O-CD 3.17Å
134E92.2Very high94.7Very high41 Ų4133.8 Ų33.819%0.19218%0.178CC..THydrogen-bonded Turntrans-107.70.3-168.2-39.6-178.4129.200113.4S132 P152 K157 L158 G159 Y181S132-E134 VanDerWaalsContact C-N 3.27Å; S132-E134 PolarHBondContact O-N 3.03Å; E134-P152 HydrophobicContact CB-CG 3.7Å; E134-K157 VanDerWaalsContact OE1-CA 3.26Å; E134-K157 WeakPolarHBondContact OE1-CA 3.47Å; E134-L158 PolarHBondContact OE1-N 2.85Å; E134-G159 WeakPolarHBondContact CA-O 3.45Å; E134-G159 WeakPolarHBondContact CG-O 3.28Å; E134-G159 PolarHBondContact OE1-N 3.27Å; E134-Y181 WeakPolarHBondContact O-CE1 3.43Å; E134-Y181 PolarHBondContact O-OH 2.99Å
135E94.6Very high94.7Very high31 Ų3136.5 Ų36.515%0.14520%0.196CC..  trans-89.3147.4-171.3-68.1-177.816700111.5A130 S132 T149 L150 K151A130-E135 HydrophobicContact CB-CB 3.76Å; A130-E135 WeakPolarHBondContact CB-O 3.49Å; A130-E135 PolarHBondContact N-O 3Å; S132-E135 WeakPolarHBondContact CB-OE2 3.3Å; S132-E135 PolarHBondContact O-N 3.17Å; S132-E135 VanDerWaalsContact OG-CD 3.28Å; S132-E135 PolarHBondContact OG-OE2 2.85Å; E135-T149 HydrophobicContact CB-CG2 4.19Å; E135-L150 WeakPolarHBondContact CA-O 3.36Å; E135-K151 HydrophobicContact CG-CB 4.49Å; E135-K151 HydrophobicContact CG-CG 4.01Å; E135-K151 VanDerWaalsContact OE1-CD 3.27Å; E135-K151 WeakPolarHBondContact OE1-CD 3.42Å; E135-K151 VanDerWaalsContact OE1-CE 3.26Å; E135-K151 WeakPolarHBondContact OE1-CE 3.48Å; E135-K151 WeakPolarHBondContact OE1-CG 3.49Å; E135-K151 IonicContact OE1-NZ 3.14Å; E135-K151 PolarHBondContact OE1-NZ 3.4Å; E135-K151 IonicContact OE2-NZ 3.23Å
136V96.7Very high94.6Very high0 Ų039.1 Ų39.10%022%0.215CC..EExtended strand (participates in β ladder)trans-117.4128.9171.3-178.80000108.6A127 M128 T149 L150 P161 L164 L177A127-V136 HydrophobicContact CB-CG1 4.16Å; M128-V136 CarbonylContact O-C 3.51Å; M128-V136 WeakPolarHBondContact O-CA 3.49Å; M128-V136 WeakPolarHBondContact O-CG1 3.4Å; V136-T149 CarbonylContact O-C 3.56Å; V136-T149 WeakPolarHBondContact O-CA 3.34Å; V136-L150 HydrophobicContact CB-CB 4.32Å; V136-L150 HydrophobicContact CB-CD1 4.31Å; V136-L150 PolarHBondContact N-O 2.87Å; V136-L150 VanDerWaalsContact N-O 3.12Å; V136-L150 PolarHBondContact O-N 2.94Å; V136-P161 HydrophobicContact CG2-CB 4.09Å; V136-P161 HydrophobicContact CG2-CG 4.23Å; V136-L164 HydrophobicContact CG1-CD1 4.1Å; V136-L164 HydrophobicContact CG1-CD2 4.16Å; V136-L164 HydrophobicContact CG2-CD2 3.87Å; V136-L177 HydrophobicContact CB-CD2 4.31Å; V136-L177 HydrophobicContact CG1-CD2 3.76Å
137Q96.7Very high94.4Very high58 Ų5842.3 Ų42.327%0.27124%0.235SC..EExtended strand (participates in β ladder)trans-97.7137.5173.6-172.5173.231.800109.8A127 M128 A130 L139 S146A127-Q137 WeakPolarHBondContact CA-O 3.44Å; M128-Q137 HydrophobicContact CG-CB 4.41Å; M128-Q137 PolarHBondContact N-O 3.19Å; M128-Q137 PolarHBondContact O-N 3.32Å; A130-Q137 HydrophobicContact CB-CB 4.02Å; Q137-L139 HydrophobicContact CG-CD2 3.95Å; Q137-S146 PolarHBondContact NE2-OG 2.84Å
138V97.6Very high94.3Very high0 Ų043.3 Ų43.30%024%0.241CC..EExtended strand (participates in β ladder)trans-115.2122.3172.9-176.60000109L125 M126 A127 V147 C148 L150 L191L125-V138 HydrophobicContact CB-CG1 4.18Å; L125-V138 HydrophobicContact CD2-CG1 4.33Å; M126-V138 WeakPolarHBondContact O-CA 3.44Å; A127-V138 HydrophobicContact CB-CG2 4.16Å; V138-V147 HydrophobicContact CG1-CB 4.35Å; V138-V147 PolarHBondContact O-N 3.02Å; V138-C148 PolarHBondContact N-O 2.86Å; V138-C148 PolarHBondContact O-N 2.85Å; V138-L150 HydrophobicContact CG2-CD1 4.37Å; V138-L191 HydrophobicContact CG1-CD1 4.34Å; V138-L191 HydrophobicContact CG2-CD2 3.99Å
139L97.3Very high94.2Very high8 Ų845.6 Ų45.64%0.04226%0.255CS..EExtended strand (participates in β ladder)trans-106.8152.4172.8-56.2-173.4000110.9V104 L125 M126 M128 Q137 T145 S146V104-L139 HydrophobicContact CG1-CD1 3.73Å; V104-L139 HydrophobicContact CG2-CD1 4.44Å; L125-L139 CarbonylContact C-O 3.54Å; L125-L139 WeakPolarHBondContact CA-O 3.48Å; M126-L139 PolarHBondContact N-O 2.93Å; M126-L139 PolarHBondContact O-N 3.27Å; M128-L139 HydrophobicContact CE-CB 4.27Å; M128-L139 HydrophobicContact CE-CD1 3.22Å; M128-L139 HydrophobicContact CE-CD2 4.46Å; M128-L139 HydrophobicContact CE-CG 3.38Å; Q137-L139 HydrophobicContact CG-CD2 3.95Å; L139-T145 CarbonylContact C-O 3.53Å; L139-T145 VanDerWaalsContact CA-O 3.27Å; L139-T145 WeakPolarHBondContact CA-O 3.24Å; L139-S146 VanDerWaalsContact CD2-CA 3.5Å
140E96.8Very high94.3Very high42 Ų4245.3 Ų45.320%0.19625%0.253CS..EExtended strand (participates in β ladder)trans-89.3136.6162.7-174.2177.5-81.700109.7R123 W124 L125 S143 K144 T145 V147R123-E140 HydrophobicContact CG-CG 4.12Å; R123-E140 IonicContact CZ-OE1 2.74Å; R123-E140 IonicContact NE-OE1 2.81Å; R123-E140 PolarHBondContact NE-OE1 2.98Å; R123-E140 IonicContact NH2-OE1 3.8Å; R123-E140 PolarHBondContact NH2-OE1 3.17Å; W124-E140 CarbonylContact O-C 3.55Å; W124-E140 WeakPolarHBondContact O-CA 3.26Å; L125-E140 HydrophobicContact CD2-CB 4.46Å; E140-S143 PolarHBondContact O-OG 2.71Å; E140-S143 PolarHBondContact OE2-OG 3.19Å; E140-K144 WeakPolarHBondContact O-CA 3.47Å; E140-K144 PolarHBondContact O-N 2.96Å; E140-T145 PolarHBondContact N-O 2.92Å; E140-T145 PolarHBondContact O-N 3.41Å; E140-V147 HydrophobicContact CB-CG2 3.76Å
141L96.2Very high94.3Very high0 Ų050.6 Ų50.60%028%0.275CS..EExtended strand (participates in β ladder)trans-112.6146170.6-64.4177.2000109.8M73 L80 L116 W124 M126 K144M73-L141 HydrophobicContact CE-CB 3.79Å; M73-L141 HydrophobicContact CE-CD1 4Å; M73-L141 HydrophobicContact SD-CD1 4.16Å; L80-L141 HydrophobicContact CD1-CD1 3.95Å; L80-L141 HydrophobicContact CD2-CD1 4.46Å; L116-L141 HydrophobicContact CD1-CD1 4.15Å; W124-L141 HydrophobicContact CB-CB 4.34Å; W124-L141 PolarHBondContact N-O 3.08Å; W124-L141 VanDerWaalsContact N-O 3.15Å; W124-L141 PolarHBondContact O-N 2.84Å; M126-L141 HydrophobicContact CB-CD1 4Å; M126-L141 HydrophobicContact CB-CG 4.37Å; M126-L141 HydrophobicContact CE-CD1 4.17Å; M126-L141 HydrophobicContact CE-CD2 4.43Å; M126-L141 HydrophobicContact SD-CD1 3.92Å; L141-K144 HydrophobicContact CD2-CG 3.89Å
142P93.5Very high94.5Very high77 Ų7745 Ų4550%0.525%0.253SS..THydrogen-bonded Turncis-87.8-0.97.335.8-36.5000114.7K144P142-K144 PolarHBondContact O-N 3.16Å
143S94.8Very high94.5Very high56 Ų5650.1 Ų50.139%0.39227%0.271SS..THydrogen-bonded Turntrans-64.7-20.3-174.956.20000114E140 T145E140-S143 PolarHBondContact O-OG 2.71Å; E140-S143 PolarHBondContact OE2-OG 3.19Å; S143-T145 PolarHBondContact O-N 2.76Å; S143-T145 PolarHBondContact OG-OG1 3Å; S143-T145 VanDerWaalsContact OG-OG1 3.07Å
144K95.9Very high94.4Very high76 Ų7653.5 Ų53.533%0.3330%0.295SS..THydrogen-bonded Turntrans57.522.2-174.6-57.5176.4-65.41800112.6D102 V104 E140 L141 P142D102-K144 IonicContact OD1-NZ 2.67Å; D102-K144 PolarHBondContact OD1-NZ 2.79Å; D102-K144 VanDerWaalsContact OD2-CE 3.23Å; D102-K144 WeakPolarHBondContact OD2-CE 3.48Å; D102-K144 IonicContact OD2-NZ 3.16Å; D102-K144 PolarHBondContact OD2-NZ 3.03Å; V104-K144 HydrophobicContact CG2-CD 3.78Å; V104-K144 HydrophobicContact CG2-CG 3.97Å; E140-K144 WeakPolarHBondContact O-CA 3.47Å; E140-K144 PolarHBondContact O-N 2.96Å; L141-K144 HydrophobicContact CD2-CG 3.89Å; P142-K144 PolarHBondContact O-N 3.16Å
145T95.5Very high94Very high73 Ų7354.9 Ų54.945%0.44832%0.32SS..EExtended strand (participates in β ladder)trans-79.1138179.653.60000109.9L139 E140 S143 V147L139-T145 CarbonylContact C-O 3.53Å; L139-T145 VanDerWaalsContact CA-O 3.27Å; L139-T145 WeakPolarHBondContact CA-O 3.24Å; E140-T145 PolarHBondContact N-O 2.92Å; E140-T145 PolarHBondContact O-N 3.41Å; S143-T145 PolarHBondContact O-N 2.76Å; S143-T145 PolarHBondContact OG-OG1 3Å; S143-T145 VanDerWaalsContact OG-OG1 3.07Å; T145-V147 PolarHBondContact O-N 3.38Å
146S95Very high93.7Very high67 Ų6754.5 Ų54.547%0.46932%0.322SS..EExtended strand (participates in β ladder)trans-71.6119.8175.4-172.30000110Q137 L139Q137-S146 PolarHBondContact NE2-OG 2.84Å; L139-S146 VanDerWaalsContact CD2-CA 3.5Å
147V95.3Very high93.5Very high67 Ų6763.1 Ų63.141%0.40636%0.36SS..EExtended strand (participates in β ladder)trans-84.1-50.5176.6176.90000109.8L125 V138 E140 T145L125-V147 HydrophobicContact CD2-CG2 3.89Å; V138-V147 HydrophobicContact CG1-CB 4.35Å; V138-V147 PolarHBondContact O-N 3.02Å; E140-V147 HydrophobicContact CB-CG2 3.76Å; T145-V147 PolarHBondContact O-N 3.38Å
148C95.3Very high93.4Very high20 Ų2060.4 Ų60.414%0.13535%0.347CS..EExtended strand (participates in β ladder)trans-158.5165.7176.565.40000111.8V138V138-C148 PolarHBondContact N-O 2.86Å; V138-C148 PolarHBondContact O-N 2.85Å
149T95.4Very high93.3Very high51 Ų5161 Ų6131%0.31335%0.353SS..EExtended strand (participates in β ladder)trans-123.7118167.2-55.40000107.7E135 V136 K151E135-T149 HydrophobicContact CB-CG2 4.19Å; V136-T149 CarbonylContact O-C 3.56Å; V136-T149 WeakPolarHBondContact O-CA 3.34Å; T149-K151 HydrophobicContact CG2-CG 4.29Å
150L96.1Very high93.2Very high0 Ų062.9 Ų62.90%036%0.362CS..EExtended strand (participates in β ladder)trans-86.4120-178.5-55.7173.6000108.3E135 V136 V138 L177 W189 L191E135-L150 WeakPolarHBondContact CA-O 3.36Å; V136-L150 HydrophobicContact CB-CB 4.32Å; V136-L150 HydrophobicContact CB-CD1 4.31Å; V136-L150 PolarHBondContact N-O 2.87Å; V136-L150 VanDerWaalsContact N-O 3.12Å; V136-L150 PolarHBondContact O-N 2.94Å; V138-L150 HydrophobicContact CG2-CD1 4.37Å; L150-L177 HydrophobicContact CD1-CB 4.49Å; L150-L177 HydrophobicContact CD1-CD2 3.38Å; L150-W189 HydrophobicContact CB-CD2 3.97Å; L150-W189 HydrophobicContact CB-CE3 3.83Å; L150-W189 HydrophobicContact CB-CH2 4.49Å; L150-W189 HydrophobicContact CB-CZ3 4.1Å; L150-W189 HydrophobicContact CD1-CB 3.78Å; L150-W189 HydrophobicContact CD1-CD2 4.07Å; L150-W189 HydrophobicContact CD1-CE3 4.44Å; L150-W189 HydrophobicContact CD1-CG 3.77Å; L150-W189 HydrophobicContact CD2-CB 4.39Å; L150-W189 HydrophobicContact CD2-CD2 4.45Å; L150-W189 HydrophobicContact CD2-CE3 4Å; L150-W189 HydrophobicContact CG-CD2 4.39Å; L150-W189 HydrophobicContact CG-CE3 4.3Å; L150-L191 HydrophobicContact CD1-CD2 3.66Å; L150-L191 HydrophobicContact CD2-CD2 4.22Å; L150-L191 HydrophobicContact CG-CD2 4.42Å
151K94.1Very high93.1Very high118 Ų11860.9 Ų60.951%0.51335%0.353SS..  trans-119.2126.1-175.7-55.6-172.5179.3-119.30109.2E135 T149 W189E135-K151 HydrophobicContact CG-CB 4.49Å; E135-K151 HydrophobicContact CG-CG 4.01Å; E135-K151 VanDerWaalsContact OE1-CD 3.27Å; E135-K151 WeakPolarHBondContact OE1-CD 3.42Å; E135-K151 VanDerWaalsContact OE1-CE 3.26Å; E135-K151 WeakPolarHBondContact OE1-CE 3.48Å; E135-K151 WeakPolarHBondContact OE1-CG 3.49Å; E135-K151 IonicContact OE1-NZ 3.14Å; E135-K151 PolarHBondContact OE1-NZ 3.4Å; E135-K151 IonicContact OE2-NZ 3.23Å; T149-K151 HydrophobicContact CG2-CG 4.29Å; K151-W189 VanDerWaalsContact C-CH2 3.42Å; K151-W189 VanDerWaalsContact O-CH2 3.24Å; K151-W189 WeakPolarHBondContact O-CH2 3.47Å; K151-W189 WeakPolarHBondContact O-CZ3 3.44Å
152P90.2Very high93.2Very high22 Ų2262.2 Ų62.214%0.14336%0.359CS..PPolyproline II helixtrans-54.3160.4169.9-28.338.8000112.8E134 A156 L158 W189E134-P152 HydrophobicContact CB-CG 3.7Å; P152-A156 HydrophobicContact CB-CB 3.82Å; P152-L158 HydrophobicContact CB-CD1 3.7Å; P152-L158 HydrophobicContact CB-CG 4.36Å; P152-L158 HydrophobicContact CG-CD1 3.42Å; P152-L158 VanDerWaalsContact CG-CD1 3.42Å; P152-L158 HydrophobicContact CG-CG 4.33Å; P152-W189 HydrophobicContact CG-CH2 4.47Å; P152-W189 HydrophobicContact CG-CZ2 4.39Å
153E87.7Confident93.4Very high158 Ų15859 Ų5974%0.73834%0.339SS*.PPolyproline II helixtrans-57.7147.6172.3-66-176.3169.700110.9G155 A156E153-G155 PolarHBondContact O-N 2.85Å; E153-A156 VanDerWaalsContact O-CB 3.22Å; E153-A156 WeakPolarHBondContact O-CB 3.44Å; E153-A156 PolarHBondContact O-N 3.27Å
154V85.1Confident93.6Very high159 Ų15957.1 Ų57.196%0.96432%0.324SS*.THydrogen-bonded Turntrans-57.7124.3-177.4179.90000110.2
155G84.3Confident93.7Very high69 Ų6956.9 Ų56.971%0.71132%0.323SS*.THydrogen-bonded Turntrans86.60.4179.500000114.8E153E153-G155 PolarHBondContact O-N 2.85Å
156A88.4Confident93.8Very high24 Ų2453.7 Ų53.720%0.19830%0.303CS..  trans-56.9143.8163.100000109.6P152 E153 L158P152-A156 HydrophobicContact CB-CB 3.82Å; E153-A156 VanDerWaalsContact O-CB 3.22Å; E153-A156 WeakPolarHBondContact O-CB 3.44Å; E153-A156 PolarHBondContact O-N 3.27Å; A156-L158 HydrophobicContact CB-CD2 4.23Å; A156-L158 HydrophobicContact CB-CG 4.07Å
157K92.6Very high93.8Very high180 Ų18052 Ų5278%0.78329%0.287SS*.  trans-126.262.7178.1-65.2-176.4-179.4179.90108.3E134E134-K157 VanDerWaalsContact OE1-CA 3.26Å; E134-K157 WeakPolarHBondContact OE1-CA 3.47Å
158L94.6Very high93.7Very high2 Ų250.1 Ų50.11%0.0127%0.273CS..  trans-76.9-28.4-177.4-51.5-176.7000111.7E134 P152 A156 Y181 E182 D183 I187 R199E134-L158 PolarHBondContact OE1-N 2.85Å; P152-L158 HydrophobicContact CB-CD1 3.7Å; P152-L158 HydrophobicContact CB-CG 4.36Å; P152-L158 HydrophobicContact CG-CD1 3.42Å; P152-L158 VanDerWaalsContact CG-CD1 3.42Å; P152-L158 HydrophobicContact CG-CG 4.33Å; A156-L158 HydrophobicContact CB-CD2 4.23Å; A156-L158 HydrophobicContact CB-CG 4.07Å; L158-Y181 HydrophobicContact CB-CD1 3.58Å; L158-Y181 HydrophobicContact CB-CE1 4.17Å; L158-Y181 HydrophobicContact CB-CG 3.81Å; L158-Y181 HydrophobicContact CD1-CD1 3.93Å; L158-Y181 HydrophobicContact CD1-CD2 4.1Å; L158-Y181 HydrophobicContact CD1-CE1 3.78Å; L158-Y181 HydrophobicContact CD1-CE2 3.97Å; L158-Y181 HydrophobicContact CD1-CG 4.08Å; L158-Y181 HydrophobicContact CG-CD1 4.43Å; L158-E182 PolarHBondContact O-N 3.32Å; L158-D183 WeakPolarHBondContact CD2-OD2 3.24Å; L158-D183 WeakPolarHBondContact O-CB 3.41Å; L158-D183 PolarHBondContact O-N 2.95Å; L158-I187 HydrophobicContact CD1-CD1 3.3Å; L158-I187 HydrophobicContact CD2-CD1 4.16Å; L158-I187 HydrophobicContact CG-CD1 4.39Å; L158-R199 VanDerWaalsContact CD2-CZ 3.49Å
159G94.5Very high93.2Very high11 Ų1154.4 Ų54.411%0.11329%0.294CS..  trans71.4-160-166.600000111.9E134 E182E134-G159 WeakPolarHBondContact CA-O 3.45Å; E134-G159 WeakPolarHBondContact CG-O 3.28Å; E134-G159 PolarHBondContact OE1-N 3.27Å; G159-E182 WeakPolarHBondContact CA-OE2 3.46Å
160M95Very high92.6Very high48 Ų4857.1 Ų57.124%0.23631%0.307CS..SBendtrans-66.4142-176-60.6-171.4-171.600112.9L133 M162 Y181 E182L133-M160 HydrophobicContact CD1-CE 3.39Å; L133-M160 HydrophobicContact CD1-CG 3.37Å; L133-M160 HydrophobicContact CD1-SD 4.21Å; L133-M160 HydrophobicContact CG-CG 4.03Å; L133-M160 VanDerWaalsContact O-CA 3.28Å; L133-M160 WeakPolarHBondContact O-CA 3.33Å; M160-M162 HydrophobicContact CB-SD 4.28Å; M160-M162 PolarHBondContact O-N 3.43Å; M160-Y181 WeakPolarHBondContact O-CA 3.28Å; M160-E182 HydrophobicContact CB-CG 4Å; M160-E182 PolarHBondContact N-OE2 2.98Å; M160-E182 PolarHBondContact O-N 2.56Å
161P96.8Very high91.6Very high1 Ų162.5 Ų62.51%0.00634%0.344CS..EExtended strand (participates in β ladder)trans-64133.2161.329-33.4000108.6C112 A129 L133 V136 L164 G180 Y181C112-P161 WeakPolarHBondContact CB-O 3.4Å; C112-P161 PolarHBondContact SG-O 3.08Å; C112-P161 VanDerWaalsContact SG-O 3.35Å; A129-P161 HydrophobicContact CB-CG 3.62Å; L133-P161 WeakPolarHBondContact O-CD 3.17Å; V136-P161 HydrophobicContact CG2-CB 4.09Å; V136-P161 HydrophobicContact CG2-CG 4.23Å; P161-L164 HydrophobicContact CB-CD2 4.4Å; P161-G180 CarbonylContact C-O 3.58Å; P161-Y181 HydrophobicContact CB-CD1 4.25Å; P161-Y181 HydrophobicContact CB-CE1 3.97Å
162M97.3Very high90.5Very high27 Ų2760.4 Ų60.413%0.13336%0.357CS..EExtended strand (participates in β ladder)trans-111.4-31.8-174-65.8-56-70.200112.2M160 G180 E182 P206 V207 M208M160-M162 HydrophobicContact CB-SD 4.28Å; M160-M162 PolarHBondContact O-N 3.43Å; M162-G180 PolarHBondContact N-O 3.49Å; M162-E182 HydrophobicContact CG-CG 3.81Å; M162-E182 HydrophobicContact SD-CG 3.67Å; M162-P206 HydrophobicContact CG-CB 4.33Å; M162-V207 WeakPolarHBondContact CB-O 3.47Å; M162-M208 HydrophobicContact CE-SD 3.94Å
163C97.9Very high90.3Very high10 Ų1061.1 Ų61.17%0.06836%0.362CS..EExtended strand (participates in β ladder)trans-147.6150.3173.955.80000111.4A179 G180 V207 L210C163-A179 WeakPolarHBondContact O-CA 3.29Å; C163-G180 PolarHBondContact N-O 3.19Å; C163-G180 PolarHBondContact O-N 3.29Å; C163-V207 PolarHBondContact SG-O 3.07Å; C163-L210 HydrophobicContact CB-CG 4.41Å; C163-L210 VanDerWaalsContact SG-CD2 3.55Å
164L98.6Very high90.3Very high17 Ų1758.1 Ų58.19%0.08935%0.348CS..EExtended strand (participates in β ladder)trans-132.9142.8-175.7-61.5176.2000110.2A127 V136 P161 L177 L178 A179A127-L164 HydrophobicContact CB-CD1 4.24Å; V136-L164 HydrophobicContact CG1-CD1 4.1Å; V136-L164 HydrophobicContact CG1-CD2 4.16Å; V136-L164 HydrophobicContact CG2-CD2 3.87Å; P161-L164 HydrophobicContact CB-CD2 4.4Å; L164-L177 HydrophobicContact CB-CD1 4.14Å; L164-L177 HydrophobicContact CD2-CD1 4.3Å; L164-L177 HydrophobicContact CD2-CD2 4.3Å; L164-L178 CarbonylContact C-O 3.59Å; L164-L178 WeakPolarHBondContact CA-O 3.39Å; L164-A179 HydrophobicContact CD2-CB 3.64Å
165K98.2Very high90.8Very high71 Ų7151.4 Ų51.431%0.30931%0.308SS..EExtended strand (participates in β ladder)trans-142.7106.9170-173.278.3-177.5-155.20111.1S115 L178 L210 D211 F212S115-K165 WeakPolarHBondContact OG-CA 3.25Å; K165-L178 HydrophobicContact CB-CB 4.39Å; K165-L178 PolarHBondContact N-O 3.16Å; K165-L178 PolarHBondContact O-N 3.47Å; K165-L210 HydrophobicContact CB-CD1 3.4Å; K165-L210 VanDerWaalsContact CB-CD1 3.4Å; K165-L210 HydrophobicContact CG-CD1 4.35Å; K165-D211 VanDerWaalsContact CE-OD1 3.29Å; K165-D211 WeakPolarHBondContact CE-OD1 3.13Å; K165-D211 IonicContact NZ-OD1 2.81Å; K165-D211 PolarHBondContact NZ-OD1 2.97Å; K165-F212 HydrophobicContact CG-CB 4.44Å
166L97.8Very high91.3Very high6 Ų648.6 Ų48.63%0.03128%0.276CS..EExtended strand (participates in β ladder)trans-75.8142.2165.8-72.5174.5000110.2S115 L117 L125 A127 L176 L177 L191S115-L166 VanDerWaalsContact O-CD1 3.27Å; S115-L166 WeakPolarHBondContact O-CD1 3.4Å; S115-L166 PolarHBondContact OG-N 2.9Å; L117-L166 HydrophobicContact CB-CB 3.66Å; L117-L166 HydrophobicContact CB-CD1 3.92Å; L117-L166 HydrophobicContact CB-CG 4.42Å; L117-L166 HydrophobicContact CD2-CB 4.27Å; L125-L166 HydrophobicContact CB-CD1 4.13Å; L125-L166 WeakPolarHBondContact O-CD1 3.34Å; A127-L166 HydrophobicContact CB-CD1 3.86Å; A127-L166 HydrophobicContact CB-CD2 4.12Å; A127-L166 HydrophobicContact CB-CG 3.87Å; L166-L176 WeakPolarHBondContact CA-O 3.46Å; L166-L177 HydrophobicContact CD2-CB 3.89Å; L166-L177 HydrophobicContact CD2-CD1 3.78Å; L166-L177 HydrophobicContact CD2-CG 4.4Å; L166-L177 HydrophobicContact CG-CD1 3.93Å; L166-L191 HydrophobicContact CD2-CD1 3.56Å
167W95.4Very high91.8Very high31 Ų3147.4 Ų47.412%0.11727%0.267CS..EExtended strand (participates in β ladder)trans-156.3162172.167.3-78.2000110.7L169 L176 F212 L233W167-L169 HydrophobicContact CZ3-CD1 4.13Å; W167-L176 HydrophobicContact CD2-CB 4.43Å; W167-L176 HydrophobicContact CH2-CD1 3.71Å; W167-L176 HydrophobicContact CZ2-CB 4.13Å; W167-L176 HydrophobicContact CZ2-CD1 3.39Å; W167-L176 HydrophobicContact CZ2-CG 4.35Å; W167-L176 PolarHBondContact N-O 2.88Å; W167-L176 PolarHBondContact O-N 2.99Å; W167-F212 AromaticContact CD2-CD1 3.86Å; W167-F212 HydrophobicContact CD2-CD1 3.86Å; W167-F212 AromaticContact CD2-CE1 3.73Å; W167-F212 HydrophobicContact CD2-CE1 3.73Å; W167-F212 AromaticContact CE2-CD1 3.9Å; W167-F212 AromaticContact CE2-CE1 3.52Å; W167-F212 HydrophobicContact CE3-CD1 4.36Å; W167-F212 AromaticContact CE3-CE1 3.96Å; W167-F212 HydrophobicContact CE3-CE1 3.96Å; W167-F212 HydrophobicContact CG-CD1 4.02Å; W167-F212 HydrophobicContact CG-CE1 4.37Å; W167-F212 AromaticContact CH2-CE1 3.83Å; W167-F212 HydrophobicContact CH2-CE1 3.83Å; W167-F212 HydrophobicContact CH2-CZ 4.36Å; W167-F212 HydrophobicContact CZ2-CD1 4.4Å; W167-F212 AromaticContact CZ2-CE1 3.58Å; W167-F212 HydrophobicContact CZ2-CE1 3.58Å; W167-F212 HydrophobicContact CZ2-CZ 4.05Å; W167-F212 HydrophobicContact CZ3-CE1 4.02Å; W167-L233 HydrophobicContact CH2-CD1 4.36Å; W167-L233 HydrophobicContact CZ2-CD1 3.75Å
168Q91.9Very high92.1Very high28 Ų2838.9 Ų38.913%0.13123%0.23CC..  trans-142.9154.2169.870.5-1719.100107.8L117 K118L117-Q168 HydrophobicContact CD1-CG 4.27Å; L117-Q168 HydrophobicContact CD2-CB 4.15Å; L117-Q168 HydrophobicContact CD2-CG 4.28Å; K118-Q168 PolarHBondContact O-NE2 2.84Å
169L85.3Confident92.3Very high110 Ų11038.8 Ų38.858%0.57623%0.229SC*.SBendtrans-73.5-52.2-177.8-159.380.3000110.3W167 S173W167-L169 HydrophobicContact CZ3-CD1 4.13Å; L169-S173 PolarHBondContact N-OG 2.81Å
170D82.1Confident92.4Very high108 Ų10838.2 Ų38.258%0.57822%0.224SC*.SBendtrans-136.6161.4179-64.2-55.2000110.6G172 S173D170-G172 PolarHBondContact O-N 3.31Å; D170-G172 VanDerWaalsContact O-N 3.14Å; D170-S173 PolarHBondContact N-OG 3Å; D170-S173 WeakPolarHBondContact O-CB 3.43Å; D170-S173 PolarHBondContact O-N 3.49Å; D170-S173 PolarHBondContact O-OG 3.13Å
171S74.9Confident92.6Very high112 Ų11236 Ų3678%0.78321%0.212SC*.THydrogen-bonded Turntrans-57.9116.8171.6-64.40000110.3
172G72.5Confident92.6Very high75 Ų7539.5 Ų39.577%0.77323%0.229SC*.THydrogen-bonded Turntrans96-8.4-176.800000114.8D170D170-G172 PolarHBondContact O-N 3.31Å; D170-G172 VanDerWaalsContact O-N 3.14Å
173S85.3Confident92.6Very high37 Ų3740.2 Ų40.226%0.25923%0.233SC..SBendtrans-69.1158.7166.569.30000111L169 D170 P175L169-S173 PolarHBondContact N-OG 2.81Å; D170-S173 PolarHBondContact N-OG 3Å; D170-S173 WeakPolarHBondContact O-CB 3.43Å; D170-S173 PolarHBondContact O-N 3.49Å; D170-S173 PolarHBondContact O-OG 3.13Å; S173-P175 VanDerWaalsContact O-CD 3.28Å; S173-P175 WeakPolarHBondContact O-CD 3.2Å
174Q88.6Confident92.6Very high95 Ų9539.8 Ų39.844%0.44423%0.23SC..PPolyproline II helixtrans-64.5122.3178.8-70-78.5-17.900110.1H190 S192Q174-H190 PolarHBondContact OE1-CE1 2.88Å; Q174-H190 VanDerWaalsContact OE1-CE1 3.24Å; Q174-S192 PolarHBondContact OE1-OG 3.46Å
175P94.3Very high92.5Very high17 Ų1739 Ų3911%0.1123%0.226CC..PPolyproline II helixtrans-67.5140.8176.3-22.735.5000111.9L117 V119 L125 S173 L191L117-P175 HydrophobicContact CD2-CB 3.9Å; L117-P175 HydrophobicContact CD2-CG 4.43Å; V119-P175 HydrophobicContact CG1-CG 4Å; L125-P175 HydrophobicContact CD1-CB 3.97Å; L125-P175 HydrophobicContact CD1-CG 3.84Å; S173-P175 VanDerWaalsContact O-CD 3.28Å; S173-P175 WeakPolarHBondContact O-CD 3.2Å; P175-L191 HydrophobicContact CB-CD1 3.82Å; P175-L191 HydrophobicContact CB-CG 4.47Å; P175-L191 WeakPolarHBondContact O-CG 3.26Å; P175-L191 PolarHBondContact O-N 3.28Å
176L96.2Very high92.5Very high10 Ų1035.6 Ų35.65%0.05221%0.211CC..EExtended strand (participates in β ladder)trans-120155.2177.5-63.6175.5000109.9L166 W167 L188 W189 H190 L197L166-L176 WeakPolarHBondContact CA-O 3.46Å; W167-L176 HydrophobicContact CD2-CB 4.43Å; W167-L176 HydrophobicContact CH2-CD1 3.71Å; W167-L176 HydrophobicContact CZ2-CB 4.13Å; W167-L176 HydrophobicContact CZ2-CD1 3.39Å; W167-L176 HydrophobicContact CZ2-CG 4.35Å; W167-L176 PolarHBondContact N-O 2.88Å; W167-L176 PolarHBondContact O-N 2.99Å; L176-L188 HydrophobicContact CB-CD1 4.12Å; L176-L188 HydrophobicContact CD1-CD1 4.39Å; L176-W189 WeakPolarHBondContact CA-O 3.29Å; L176-W189 WeakPolarHBondContact CD2-O 3.34Å; L176-H190 HydrophobicContact CD2-CB 4.18Å; L176-L197 HydrophobicContact CD2-CD1 3.86Å
177L98.2Very high92.6Very high0 Ų035.6 Ų35.60%021%0.211CC..EExtended strand (participates in β ladder)trans-126.5132.2174.9173.875.8000110A127 V136 L150 L164 L166 A179 L188 W189 L191A127-L177 HydrophobicContact CB-CD1 3.86Å; A127-L177 HydrophobicContact CB-CD2 4.36Å; V136-L177 HydrophobicContact CB-CD2 4.31Å; V136-L177 HydrophobicContact CG1-CD2 3.76Å; L150-L177 HydrophobicContact CD1-CB 4.49Å; L150-L177 HydrophobicContact CD1-CD2 3.38Å; L164-L177 HydrophobicContact CB-CD1 4.14Å; L164-L177 HydrophobicContact CD2-CD1 4.3Å; L164-L177 HydrophobicContact CD2-CD2 4.3Å; L166-L177 HydrophobicContact CD2-CB 3.89Å; L166-L177 HydrophobicContact CD2-CD1 3.78Å; L166-L177 HydrophobicContact CD2-CG 4.4Å; L166-L177 HydrophobicContact CG-CD1 3.93Å; L177-A179 HydrophobicContact CD2-CB 4.49Å; L177-L188 CarbonylContact O-C 3.6Å; L177-L188 WeakPolarHBondContact O-CA 3.38Å; L177-W189 HydrophobicContact CB-CB 4.16Å; L177-W189 PolarHBondContact N-O 3.22Å; L177-W189 PolarHBondContact O-N 2.77Å; L177-L191 HydrophobicContact CB-CD2 3.79Å
178L98.5Very high92.7Very high0 Ų034.1 Ų34.10%021%0.206CC..EExtended strand (participates in β ladder)trans-98.7128.2162.5-70.8151.5000108.7L164 K165 V186 I187 L188 L210 F212 W231 L239L164-L178 CarbonylContact C-O 3.59Å; L164-L178 WeakPolarHBondContact CA-O 3.39Å; K165-L178 HydrophobicContact CB-CB 4.39Å; K165-L178 PolarHBondContact N-O 3.16Å; K165-L178 PolarHBondContact O-N 3.47Å; L178-V186 HydrophobicContact CD2-CG1 3.93Å; L178-I187 WeakPolarHBondContact CA-O 3.21Å; L178-L188 HydrophobicContact CD2-CB 4.27Å; L178-L188 HydrophobicContact CD2-CD1 3.93Å; L178-L188 HydrophobicContact CG-CD1 4.07Å; L178-L210 HydrophobicContact CB-CD1 4.12Å; L178-L210 HydrophobicContact CB-CD2 4.41Å; L178-F212 HydrophobicContact CD1-CB 3.87Å; L178-F212 HydrophobicContact CD1-CD1 4.21Å; L178-F212 HydrophobicContact CD1-CD2 3.79Å; L178-F212 HydrophobicContact CD1-CE2 4.4Å; L178-F212 HydrophobicContact CD1-CG 3.69Å; L178-W231 HydrophobicContact CD1-CH2 3.58Å; L178-W231 HydrophobicContact CD1-CZ3 4.13Å; L178-W231 HydrophobicContact CD2-CH2 3.78Å; L178-W231 HydrophobicContact CD2-CZ3 3.99Å; L178-W231 HydrophobicContact CG-CH2 4.24Å; L178-L239 HydrophobicContact CD2-CD1 4.32Å; L178-L239 HydrophobicContact CD2-CD2 4.14Å
179A98.5Very high92.9Very high0 Ų032.9 Ų32.90%020%0.2CC..EExtended strand (participates in β ladder)trans-124.8123.3176.100000109.8C163 L164 L177 Y181 V186 I187C163-A179 WeakPolarHBondContact O-CA 3.29Å; L164-A179 HydrophobicContact CD2-CB 3.64Å; L177-A179 HydrophobicContact CD2-CB 4.49Å; A179-Y181 HydrophobicContact CB-CD2 4.4Å; A179-Y181 HydrophobicContact CB-CE2 3.59Å; A179-Y181 WeakPolarHBondContact O-CD2 3.5Å; A179-Y181 WeakPolarHBondContact O-CE2 3.12Å; A179-V186 CarbonylContact O-C 3.6Å; A179-V186 VanDerWaalsContact O-CA 3.31Å; A179-V186 WeakPolarHBondContact O-CA 3.18Å; A179-I187 PolarHBondContact N-O 2.77Å; A179-I187 PolarHBondContact O-N 3.16Å
180G98.3Very high93.4Very high0 Ų028.6 Ų28.60%018%0.177CC..EExtended strand (participates in β ladder)trans-94.3140.617100000110.7P161 M162 C163 S185P161-G180 CarbonylContact C-O 3.58Å; M162-G180 PolarHBondContact N-O 3.49Å; C163-G180 PolarHBondContact N-O 3.19Å; C163-G180 PolarHBondContact O-N 3.29Å; G180-S185 WeakPolarHBondContact CA-O 3.34Å
181Y97.9Very high94Very high0 Ų023.7 Ų23.70%015%0.15CC..EExtended strand (participates in β ladder)trans-121.3168.2-170.7-72.4-90.2000113.4E134 L158 M160 P161 A179 D183 G184 S185 I187 V207E134-Y181 WeakPolarHBondContact O-CE1 3.43Å; E134-Y181 PolarHBondContact O-OH 2.99Å; L158-Y181 HydrophobicContact CB-CD1 3.58Å; L158-Y181 HydrophobicContact CB-CE1 4.17Å; L158-Y181 HydrophobicContact CB-CG 3.81Å; L158-Y181 HydrophobicContact CD1-CD1 3.93Å; L158-Y181 HydrophobicContact CD1-CD2 4.1Å; L158-Y181 HydrophobicContact CD1-CE1 3.78Å; L158-Y181 HydrophobicContact CD1-CE2 3.97Å; L158-Y181 HydrophobicContact CD1-CG 4.08Å; L158-Y181 HydrophobicContact CG-CD1 4.43Å; M160-Y181 WeakPolarHBondContact O-CA 3.28Å; P161-Y181 HydrophobicContact CB-CD1 4.25Å; P161-Y181 HydrophobicContact CB-CE1 3.97Å; A179-Y181 HydrophobicContact CB-CD2 4.4Å; A179-Y181 HydrophobicContact CB-CE2 3.59Å; A179-Y181 WeakPolarHBondContact O-CD2 3.5Å; A179-Y181 WeakPolarHBondContact O-CE2 3.12Å; Y181-D183 VanDerWaalsContact C-N 3.27Å; Y181-D183 WeakPolarHBondContact CB-OD1 3.35Å; Y181-D183 PolarHBondContact O-N 3.43Å; Y181-G184 PolarHBondContact O-N 3.12Å; Y181-S185 PolarHBondContact N-O 3.32Å; Y181-I187 HydrophobicContact CD2-CD1 4.27Å; Y181-I187 HydrophobicContact CD2-CG1 4.16Å; Y181-I187 HydrophobicContact CE2-CB 4.04Å; Y181-I187 HydrophobicContact CE2-CD1 3.84Å; Y181-I187 HydrophobicContact CE2-CG1 3.88Å; Y181-V207 PolarHBondContact O-N 3.22Å
182E96.9Very high94.6Very high75 Ų7521.9 Ų21.935%0.3514%0.138SC..THydrogen-bonded Turntrans-61.4-30.5176.8-77-177.3144.100113.6L158 G159 M160 M162 G184 P206L158-E182 PolarHBondContact O-N 3.32Å; G159-E182 WeakPolarHBondContact CA-OE2 3.46Å; M160-E182 HydrophobicContact CB-CG 4Å; M160-E182 PolarHBondContact N-OE2 2.98Å; M160-E182 PolarHBondContact O-N 2.56Å; M162-E182 HydrophobicContact CG-CG 3.81Å; M162-E182 HydrophobicContact SD-CG 3.67Å; E182-G184 PolarHBondContact O-N 3.25Å; E182-P206 HydrophobicContact CB-CG 4.46Å; E182-P206 WeakPolarHBondContact O-CA 3.36Å; E182-P206 WeakPolarHBondContact O-CG 3.37Å
183D97Very high95.4Very high43 Ų4323.8 Ų23.823%0.2313%0.128CC..THydrogen-bonded Turntrans-741.7177.379.1-23.3000114.6L158 Y181 S185 R199L158-D183 WeakPolarHBondContact CD2-OD2 3.24Å; L158-D183 WeakPolarHBondContact O-CB 3.41Å; L158-D183 PolarHBondContact O-N 2.95Å; Y181-D183 VanDerWaalsContact C-N 3.27Å; Y181-D183 WeakPolarHBondContact CB-OD1 3.35Å; Y181-D183 PolarHBondContact O-N 3.43Å; D183-S185 VanDerWaalsContact C-N 3.32Å; D183-S185 VanDerWaalsContact CG-OG 3.27Å; D183-S185 WeakPolarHBondContact OD1-CA 3.37Å; D183-S185 WeakPolarHBondContact OD1-CB 3.49Å; D183-S185 PolarHBondContact OD1-N 2.93Å; D183-S185 PolarHBondContact OD1-OG 3.02Å; D183-S185 PolarHBondContact OD2-OG 2.89Å; D183-R199 IonicContact OD2-CZ 3.03Å; D183-R199 IonicContact OD2-NE 3.74Å; D183-R199 IonicContact OD2-NH2 3.65Å; D183-R199 PolarHBondContact OD2-NH2 3Å
184G97.5Very high95.7Very high0 Ų023.5 Ų23.50%013%0.131CC..SBendtrans81.48.9-17800000114.5Y181 E182 C202 H203 E205 V207Y181-G184 PolarHBondContact O-N 3.12Å; E182-G184 PolarHBondContact O-N 3.25Å; G184-C202 PolarHBondContact O-N 3.46Å; G184-C202 VanDerWaalsContact O-N 3.1Å; G184-H203 PolarHBondContact O-N 2.87Å; G184-H203 VanDerWaalsContact O-N 3.1Å; G184-E205 VanDerWaalsContact CA-O 3.23Å; G184-E205 WeakPolarHBondContact CA-O 3.27Å; G184-V207 VanDerWaalsContact C-CG2 3.49Å
185S97.8Very high95.8Very high0 Ų026 Ų260%014%0.14CC..EExtended strand (participates in β ladder)trans-93.9151.8175.7760000113.6G180 Y181 D183 R199 L200G180-S185 WeakPolarHBondContact CA-O 3.34Å; Y181-S185 PolarHBondContact N-O 3.32Å; D183-S185 VanDerWaalsContact C-N 3.32Å; D183-S185 VanDerWaalsContact CG-OG 3.27Å; D183-S185 WeakPolarHBondContact OD1-CA 3.37Å; D183-S185 WeakPolarHBondContact OD1-CB 3.49Å; D183-S185 PolarHBondContact OD1-N 2.93Å; D183-S185 PolarHBondContact OD1-OG 3.02Å; D183-S185 PolarHBondContact OD2-OG 2.89Å; S185-R199 PolarHBondContact OG-NE 3.01Å; S185-L200 CarbonylContact C-O 3.55Å; S185-L200 VanDerWaalsContact CA-O 3.24Å; S185-L200 WeakPolarHBondContact CA-O 3.3Å
186V98.4Very high95.8Very high0 Ų027.1 Ų27.10%015%0.151CC..EExtended strand (participates in β ladder)trans-114.8130.2168.5176.20000107.8L178 A179 L200 V207 L210 W231 L239L178-V186 HydrophobicContact CD2-CG1 3.93Å; A179-V186 CarbonylContact O-C 3.6Å; A179-V186 VanDerWaalsContact O-CA 3.31Å; A179-V186 WeakPolarHBondContact O-CA 3.18Å; V186-L200 PolarHBondContact N-O 3.39Å; V186-L200 PolarHBondContact O-N 2.94Å; V186-V207 HydrophobicContact CG2-CG1 4.17Å; V186-V207 HydrophobicContact CG2-CG2 4.29Å; V186-L210 HydrophobicContact CG1-CD2 4.28Å; V186-L210 HydrophobicContact CG2-CD2 4.33Å; V186-W231 HydrophobicContact CG1-CZ2 4.5Å; V186-L239 HydrophobicContact CG1-CD1 4.09Å; V186-L239 WeakPolarHBondContact O-CD1 3.43Å
187I98.2Very high95.8Very high6 Ų629.4 Ų29.43%0.03116%0.163CC..EExtended strand (participates in β ladder)trans-114.7132.3176.8-56.6-173.9000109.6L158 L178 A179 Y181 W189 A196 S198 R199L158-I187 HydrophobicContact CD1-CD1 3.3Å; L158-I187 HydrophobicContact CD2-CD1 4.16Å; L158-I187 HydrophobicContact CG-CD1 4.39Å; L178-I187 WeakPolarHBondContact CA-O 3.21Å; A179-I187 PolarHBondContact N-O 2.77Å; A179-I187 PolarHBondContact O-N 3.16Å; Y181-I187 HydrophobicContact CD2-CD1 4.27Å; Y181-I187 HydrophobicContact CD2-CG1 4.16Å; Y181-I187 HydrophobicContact CE2-CB 4.04Å; Y181-I187 HydrophobicContact CE2-CD1 3.84Å; Y181-I187 HydrophobicContact CE2-CG1 3.88Å; I187-W189 HydrophobicContact CB-CZ2 4.42Å; I187-W189 HydrophobicContact CD1-CZ2 4.21Å; I187-W189 HydrophobicContact CG2-CD2 4.03Å; I187-W189 VanDerWaalsContact CG2-CE2 3.46Å; I187-W189 HydrophobicContact CG2-CG 4.26Å; I187-W189 HydrophobicContact CG2-CZ2 3.77Å; I187-A196 HydrophobicContact CG2-CB 3.78Å; I187-S198 WeakPolarHBondContact CA-O 3.4Å; I187-S198 WeakPolarHBondContact CG2-O 3.42Å; I187-R199 HydrophobicContact CD1-CG 4.33Å; I187-R199 HydrophobicContact CG1-CB 4.09Å; I187-R199 HydrophobicContact CG1-CG 3.95Å
188L97.9Very high95.7Very high0 Ų030.1 Ų30.10%017%0.168CC..EExtended strand (participates in β ladder)trans-90.8127.2167.3179.670.2000109.3L176 L177 L178 L197 S198 L233 Q237 L239L176-L188 HydrophobicContact CB-CD1 4.12Å; L176-L188 HydrophobicContact CD1-CD1 4.39Å; L177-L188 CarbonylContact O-C 3.6Å; L177-L188 WeakPolarHBondContact O-CA 3.38Å; L178-L188 HydrophobicContact CD2-CB 4.27Å; L178-L188 HydrophobicContact CD2-CD1 3.93Å; L178-L188 HydrophobicContact CG-CD1 4.07Å; L188-L197 HydrophobicContact CB-CB 4.5Å; L188-L197 HydrophobicContact CD2-CB 4.07Å; L188-L197 HydrophobicContact CD2-CD1 3.76Å; L188-L197 HydrophobicContact CG-CB 4.25Å; L188-L197 HydrophobicContact CG-CD1 4Å; L188-L197 PolarHBondContact O-N 3.42Å; L188-S198 PolarHBondContact N-O 2.98Å; L188-L233 HydrophobicContact CD1-CD1 4.4Å; L188-L233 HydrophobicContact CD2-CD1 4.09Å; L188-L233 HydrophobicContact CD2-CD2 3.71Å; L188-Q237 HydrophobicContact CD2-CB 4.04Å; L188-L239 HydrophobicContact CB-CD1 3.99Å; L188-L239 HydrophobicContact CB-CG 4.38Å
189W97.6Very high95.6Very high2 Ų236 Ų361%0.00819%0.19CC..EExtended strand (participates in β ladder)trans-116.4140.5-179.2-64.194.7000111.8L150 K151 P152 L176 L177 I187 K195 A196L150-W189 HydrophobicContact CB-CD2 3.97Å; L150-W189 HydrophobicContact CB-CE3 3.83Å; L150-W189 HydrophobicContact CB-CH2 4.49Å; L150-W189 HydrophobicContact CB-CZ3 4.1Å; L150-W189 HydrophobicContact CD1-CB 3.78Å; L150-W189 HydrophobicContact CD1-CD2 4.07Å; L150-W189 HydrophobicContact CD1-CE3 4.44Å; L150-W189 HydrophobicContact CD1-CG 3.77Å; L150-W189 HydrophobicContact CD2-CB 4.39Å; L150-W189 HydrophobicContact CD2-CD2 4.45Å; L150-W189 HydrophobicContact CD2-CE3 4Å; L150-W189 HydrophobicContact CG-CD2 4.39Å; L150-W189 HydrophobicContact CG-CE3 4.3Å; K151-W189 VanDerWaalsContact C-CH2 3.42Å; K151-W189 VanDerWaalsContact O-CH2 3.24Å; K151-W189 WeakPolarHBondContact O-CH2 3.47Å; K151-W189 WeakPolarHBondContact O-CZ3 3.44Å; P152-W189 HydrophobicContact CG-CH2 4.47Å; P152-W189 HydrophobicContact CG-CZ2 4.39Å; L176-W189 WeakPolarHBondContact CA-O 3.29Å; L176-W189 WeakPolarHBondContact CD2-O 3.34Å; L177-W189 HydrophobicContact CB-CB 4.16Å; L177-W189 PolarHBondContact N-O 3.22Å; L177-W189 PolarHBondContact O-N 2.77Å; I187-W189 HydrophobicContact CB-CZ2 4.42Å; I187-W189 HydrophobicContact CD1-CZ2 4.21Å; I187-W189 HydrophobicContact CG2-CD2 4.03Å; I187-W189 VanDerWaalsContact CG2-CE2 3.46Å; I187-W189 HydrophobicContact CG2-CG 4.26Å; I187-W189 HydrophobicContact CG2-CZ2 3.77Å; W189-K195 VanDerWaalsContact CE3-C 3.46Å; W189-A196 HydrophobicContact CD2-CB 4.38Å; W189-A196 HydrophobicContact CE3-CB 3.95Å; W189-A196 VanDerWaalsContact CE3-N 3.29Å; W189-A196 HydrophobicContact CH2-CB 3.89Å; W189-A196 HydrophobicContact CZ2-CB 4.37Å; W189-A196 HydrophobicContact CZ3-CB 3.69Å; W189-A196 VanDerWaalsContact CZ3-N 3.31Å
190H94.3Very high95.5Very high21 Ų2137 Ų3710%0.09720%0.195CC..EExtended strand (participates in β ladder)trans-97.7110.5168.4-165.8-67.5000110.2Q174 L176 S192 M193 G194 K195 L197Q174-H190 PolarHBondContact OE1-CE1 2.88Å; Q174-H190 VanDerWaalsContact OE1-CE1 3.24Å; L176-H190 HydrophobicContact CD2-CB 4.18Å; H190-S192 PolarHBondContact O-N 3.17Å; H190-M193 HydrophobicContact CB-CB 4.23Å; H190-M193 VanDerWaalsContact CE1-SD 3.51Å; H190-M193 PolarHBondContact O-N 2.95Å; H190-G194 PolarHBondContact O-N 3.39Å; H190-K195 PolarHBondContact N-O 2.96Å; H190-K195 PolarHBondContact O-N 3.49Å; H190-L197 HydrophobicContact CB-CD1 3.8Å; H190-L197 HydrophobicContact CB-CD2 3.95Å; H190-L197 HydrophobicContact CB-CG 3.83Å
191L94.3Very high95.5Very high4 Ų440.9 Ų40.92%0.02122%0.219CC..G310 helixtrans-64.5-47.7-168.5-61.3-169.9000113.3L125 V138 L150 L166 P175 L177 M193 G194L125-L191 HydrophobicContact CD1-CD1 3.96Å; V138-L191 HydrophobicContact CG1-CD1 4.34Å; V138-L191 HydrophobicContact CG2-CD2 3.99Å; L150-L191 HydrophobicContact CD1-CD2 3.66Å; L150-L191 HydrophobicContact CD2-CD2 4.22Å; L150-L191 HydrophobicContact CG-CD2 4.42Å; L166-L191 HydrophobicContact CD2-CD1 3.56Å; P175-L191 HydrophobicContact CB-CD1 3.82Å; P175-L191 HydrophobicContact CB-CG 4.47Å; P175-L191 WeakPolarHBondContact O-CG 3.26Å; P175-L191 PolarHBondContact O-N 3.28Å; L177-L191 HydrophobicContact CB-CD2 3.79Å; L191-M193 PolarHBondContact O-N 3.42Å; L191-M193 VanDerWaalsContact O-N 3.16Å; L191-G194 PolarHBondContact O-N 2.73Å
192S88.9Confident95.5Very high75 Ų7541.6 Ų41.652%0.52422%0.224SC..G310 helixtrans-65.7-21.9-177.5-53.20000113.6Q174 H190Q174-S192 PolarHBondContact OE1-OG 3.46Å; H190-S192 PolarHBondContact O-N 3.17Å
193M89.1Confident95.5Very high115 Ų11538.2 Ų38.257%0.56721%0.208SC*.G310 helixtrans-99.3-16.1-177-76.127.1168.500110.7H190 L191 K195H190-M193 HydrophobicContact CB-CB 4.23Å; H190-M193 VanDerWaalsContact CE1-SD 3.51Å; H190-M193 PolarHBondContact O-N 2.95Å; L191-M193 PolarHBondContact O-N 3.42Å; L191-M193 VanDerWaalsContact O-N 3.16Å; M193-K195 HydrophobicContact CB-CB 4.46Å; M193-K195 PolarHBondContact O-N 2.82Å
194G90.5Very high95.5Very high30 Ų3044 Ų4431%0.30923%0.234SC..THydrogen-bonded Turntrans62.125.2-175.100000113.8H190 L191H190-G194 PolarHBondContact O-N 3.39Å; L191-G194 PolarHBondContact O-N 2.73Å
195K91.2Very high95.5Very high147 Ų14748.4 Ų48.464%0.63925%0.254SS*.EExtended strand (participates in β ladder)trans-119.7143.6-172.9-72.6-177.1-178.3-175.20112.2W189 H190 M193W189-K195 VanDerWaalsContact CE3-C 3.46Å; H190-K195 PolarHBondContact N-O 2.96Å; H190-K195 PolarHBondContact O-N 3.49Å; M193-K195 HydrophobicContact CB-CB 4.46Å; M193-K195 PolarHBondContact O-N 2.82Å
196A95.4Very high95.5Very high41 Ų4149.7 Ų49.734%0.33926%0.263SS..EExtended strand (participates in β ladder)trans-69.4129.7165.400000108.6I187 W189I187-A196 HydrophobicContact CG2-CB 3.78Å; W189-A196 HydrophobicContact CD2-CB 4.38Å; W189-A196 HydrophobicContact CE3-CB 3.95Å; W189-A196 VanDerWaalsContact CE3-N 3.29Å; W189-A196 HydrophobicContact CH2-CB 3.89Å; W189-A196 HydrophobicContact CZ2-CB 4.37Å; W189-A196 HydrophobicContact CZ3-CB 3.69Å; W189-A196 VanDerWaalsContact CZ3-N 3.31Å
197L95Very high95.5Very high58 Ų5849.7 Ų49.730%0.30426%0.263SS..EExtended strand (participates in β ladder)trans-91.1-39.6175.8-66173.7000111.1L176 L188 H190 Q237L176-L197 HydrophobicContact CD2-CD1 3.86Å; L188-L197 HydrophobicContact CB-CB 4.5Å; L188-L197 HydrophobicContact CD2-CB 4.07Å; L188-L197 HydrophobicContact CD2-CD1 3.76Å; L188-L197 HydrophobicContact CG-CB 4.25Å; L188-L197 HydrophobicContact CG-CD1 4Å; L188-L197 PolarHBondContact O-N 3.42Å; H190-L197 HydrophobicContact CB-CD1 3.8Å; H190-L197 HydrophobicContact CB-CD2 3.95Å; H190-L197 HydrophobicContact CB-CG 3.83Å; L197-Q237 HydrophobicContact CD1-CB 4.4Å
198S96.1Very high95.5Very high16 Ų1652 Ų5211%0.11227%0.274CS..EExtended strand (participates in β ladder)trans-157.9148.1-177.3-1690000110.8I187 L188 Q237 N238 L239I187-S198 WeakPolarHBondContact CA-O 3.4Å; I187-S198 WeakPolarHBondContact CG2-O 3.42Å; L188-S198 PolarHBondContact N-O 2.98Å; S198-Q237 WeakPolarHBondContact CB-O 3.27Å; S198-N238 WeakPolarHBondContact OG-CA 3.44Å; S198-L239 PolarHBondContact OG-N 3.46Å
199R96.4Very high95.5Very high123 Ų12352.3 Ų52.346%0.46428%0.276SS..EExtended strand (participates in β ladder)trans-125.4134.4173.7175.2174.5177.7-149.9-1.4109.2L158 D183 S185 I187L158-R199 VanDerWaalsContact CD2-CZ 3.49Å; D183-R199 IonicContact OD2-CZ 3.03Å; D183-R199 IonicContact OD2-NE 3.74Å; D183-R199 IonicContact OD2-NH2 3.65Å; D183-R199 PolarHBondContact OD2-NH2 3Å; S185-R199 PolarHBondContact OG-NE 3.01Å; I187-R199 HydrophobicContact CD1-CG 4.33Å; I187-R199 HydrophobicContact CG1-CB 4.09Å; I187-R199 HydrophobicContact CG1-CG 3.95Å
200L97.8Very high95.5Very high20 Ų2052.7 Ų52.711%0.10528%0.278CS..EExtended strand (participates in β ladder)trans-129.2116176.6175.669.5000110.2S185 V186 C202 W231 L239 V241S185-L200 CarbonylContact C-O 3.55Å; S185-L200 VanDerWaalsContact CA-O 3.24Å; S185-L200 WeakPolarHBondContact CA-O 3.3Å; V186-L200 PolarHBondContact N-O 3.39Å; V186-L200 PolarHBondContact O-N 2.94Å; L200-C202 HydrophobicContact CD2-CB 4.06Å; L200-C202 HydrophobicContact CG-CB 4.06Å; L200-C202 PolarHBondContact O-N 2.81Å; L200-W231 HydrophobicContact CD2-CB 3.6Å; L200-W231 HydrophobicContact CD2-CG 4.02Å; L200-L239 HydrophobicContact CB-CB 3.56Å; L200-L239 HydrophobicContact CB-CD1 4.18Å; L200-L239 HydrophobicContact CB-CG 4.49Å; L200-L239 HydrophobicContact CD2-CB 4.07Å; L200-L239 HydrophobicContact CG-CB 4.36Å; L200-V241 HydrophobicContact CD1-CG2 3.82Å; L200-V241 HydrophobicContact CD2-CG2 3.9Å; L200-V241 HydrophobicContact CG-CG2 4.19Å
201V97.3Very high95.7Very high82 Ų8252 Ų5250%0.49728%0.275SS..EExtended strand (participates in β ladder)trans-79.2111.4167.2-175.60000107.7
202C96.9Very high95.9Very high16 Ų1652.1 Ų52.111%0.10828%0.276CS..  trans-124.2-8.4-171.860.80000114.1G184 L200 S229 V241G184-C202 PolarHBondContact O-N 3.46Å; G184-C202 VanDerWaalsContact O-N 3.1Å; L200-C202 HydrophobicContact CD2-CB 4.06Å; L200-C202 HydrophobicContact CG-CB 4.06Å; L200-C202 PolarHBondContact O-N 2.81Å; C202-S229 WeakPolarHBondContact CB-OG 3.37Å; C202-S229 PolarHBondContact O-OG 3.04Å; C202-V241 HydrophobicContact CB-CG2 4.13Å
203H97.8Very high96.2Very high3 Ų348.6 Ų48.61%0.01425%0.251CS..  trans-136.8158.4176.5-66.5-70.6000109.9G184 E205 S221 S223 E225 V227 S229G184-H203 PolarHBondContact O-N 2.87Å; G184-H203 VanDerWaalsContact O-N 3.1Å; H203-E205 VanDerWaalsContact C-N 3.34Å; H203-E205 WeakPolarHBondContact CB-O 3.35Å; H203-S221 PolarHBondContact CD2-OG 3.16Å; H203-S221 WeakPolarHBondContact NE2-CB 3.46Å; H203-S221 PolarHBondContact NE2-O 3.39Å; H203-S221 PolarHBondContact NE2-OG 3.11Å; H203-S223 PolarHBondContact ND1-OG 3.19Å; H203-E225 IonicContact CE1-OE1 3.39Å; H203-E225 IonicContact CG-OE1 2.83Å; H203-E225 IonicContact ND1-OE1 3.71Å; H203-E225 PolarHBondContact ND1-OE1 3.27Å; H203-V227 PolarHBondContact CE1-O 3.12Å; H203-S229 WeakPolarHBondContact NE2-CB 3.31Å
204Q96.8Very high96.4Very high166 Ų16645 Ų4578%0.77624%0.237SC*.SBendtrans-91.6-5.5170.3-63-59.5-5700112.4E225Q204-E225 PolarHBondContact N-OE2 2.8Å
205E97.7Very high96.4Very high92 Ų9250.5 Ų50.543%0.4326%0.255SS..SBendtrans-132.5161.9-172.4-72.3-71.2151.800109.9G184 H203 V207 S224 E225G184-E205 VanDerWaalsContact CA-O 3.23Å; G184-E205 WeakPolarHBondContact CA-O 3.27Å; H203-E205 VanDerWaalsContact C-N 3.34Å; H203-E205 WeakPolarHBondContact CB-O 3.35Å; E205-V207 PolarHBondContact O-N 3.35Å; E205-S224 WeakPolarHBondContact CB-OG 3.03Å; E205-S224 VanDerWaalsContact CG-OG 3.27Å; E205-S224 WeakPolarHBondContact CG-OG 3.43Å; E205-S224 PolarHBondContact OE2-OG 2.88Å; E205-S224 VanDerWaalsContact OE2-OG 3.06Å; E205-E225 HydrophobicContact CB-CB 4.46Å; E205-E225 HydrophobicContact CG-CB 4.26Å
206P97.3Very high96.5Very high27 Ų2748.3 Ų48.318%0.17525%0.245CC..  trans-49.3133.1-178.5-30.234.7000114.1M162 E182 M208 S223M162-P206 HydrophobicContact CG-CB 4.33Å; E182-P206 HydrophobicContact CB-CG 4.46Å; E182-P206 WeakPolarHBondContact O-CA 3.36Å; E182-P206 WeakPolarHBondContact O-CG 3.37Å; P206-M208 HydrophobicContact CB-CE 4.14Å; P206-M208 PolarHBondContact O-N 3.03Å; P206-S223 VanDerWaalsContact O-CA 3.29Å; P206-S223 WeakPolarHBondContact O-CA 3.48Å; P206-S223 WeakPolarHBondContact O-CB 3.26Å
207V98.3Very high96.5Very high0 Ų047.9 Ų47.90%024%0.242CC..EExtended strand (participates in β ladder)trans-7694.1177.9-169.30000109.9M162 C163 Y181 G184 V186 E205M162-V207 WeakPolarHBondContact CB-O 3.47Å; C163-V207 PolarHBondContact SG-O 3.07Å; Y181-V207 PolarHBondContact O-N 3.22Å; G184-V207 VanDerWaalsContact C-CG2 3.49Å; V186-V207 HydrophobicContact CG2-CG1 4.17Å; V186-V207 HydrophobicContact CG2-CG2 4.29Å; E205-V207 PolarHBondContact O-N 3.35Å
208M98Very high96.6Very high53 Ų5346.4 Ų46.426%0.26123%0.233SC..EExtended strand (participates in β ladder)trans-71.5-35.1-172.3-66.2-62.6-175.500113.6M162 P206 G222 I252 W269M162-M208 HydrophobicContact CE-SD 3.94Å; P206-M208 HydrophobicContact CB-CE 4.14Å; P206-M208 PolarHBondContact O-N 3.03Å; M208-G222 PolarHBondContact N-O 2.99Å; M208-I252 VanDerWaalsContact CB-O 3.26Å; M208-I252 WeakPolarHBondContact CB-O 3.49Å; M208-W269 HydrophobicContact CE-CH2 4.11Å; M208-W269 HydrophobicContact CE-CZ2 4.06Å
209S98.1Very high96.6Very high7 Ų745.7 Ų45.75%0.04923%0.228CC..EExtended strand (participates in β ladder)trans-155.7150.8178.6-177.80000111S221 G222 D254 I255S209-S221 WeakPolarHBondContact O-CA 3.34Å; S209-G222 PolarHBondContact N-O 3.25Å; S209-G222 PolarHBondContact O-N 3.41Å; S209-D254 PolarHBondContact OG-OD1 3.07Å; S209-I255 PolarHBondContact OG-N 2.8Å; S209-I255 VanDerWaalsContact OG-N 3.08Å
210L98.6Very high96.7Very high10 Ų1039.8 Ų39.85%0.05221%0.205CC..EExtended strand (participates in β ladder)trans-145155.8175.76681.7000110.7C163 K165 L178 V186 I220C163-L210 HydrophobicContact CB-CG 4.41Å; C163-L210 VanDerWaalsContact SG-CD2 3.55Å; K165-L210 HydrophobicContact CB-CD1 3.4Å; K165-L210 VanDerWaalsContact CB-CD1 3.4Å; K165-L210 HydrophobicContact CG-CD1 4.35Å; L178-L210 HydrophobicContact CB-CD1 4.12Å; L178-L210 HydrophobicContact CB-CD2 4.41Å; V186-L210 HydrophobicContact CG1-CD2 4.28Å; V186-L210 HydrophobicContact CG2-CD2 4.33Å; L210-I220 CarbonylContact C-O 3.51Å; L210-I220 WeakPolarHBondContact CA-O 3.18Å; L210-I220 WeakPolarHBondContact CB-O 3.41Å
211D98.4Very high96.8Very high7 Ų738.9 Ų38.94%0.03720%0.201CC..EExtended strand (participates in β ladder)trans-146.3161.3168.1-16014.8000111.2K165 G219 I220 I257K165-D211 VanDerWaalsContact CE-OD1 3.29Å; K165-D211 WeakPolarHBondContact CE-OD1 3.13Å; K165-D211 IonicContact NZ-OD1 2.81Å; K165-D211 PolarHBondContact NZ-OD1 2.97Å; D211-G219 WeakPolarHBondContact O-CA 3.05Å; D211-I220 PolarHBondContact N-O 2.83Å; D211-I220 PolarHBondContact O-N 2.87Å; D211-I257 HydrophobicContact CB-CD1 4.13Å; D211-I257 HydrophobicContact CB-CG1 4.13Å; D211-I257 WeakPolarHBondContact OD2-CB 3.41Å; D211-I257 PolarHBondContact OD2-N 2.85Å
212F97.7Very high96.8Very high7 Ų735 Ų353%0.03118%0.177CC..EExtended strand (participates in β ladder)trans-135.2134.9-168.6-167.2-113.5000113.5K165 W167 L178 A217 K218 W231 L233K165-F212 HydrophobicContact CG-CB 4.44Å; W167-F212 AromaticContact CD2-CD1 3.86Å; W167-F212 HydrophobicContact CD2-CD1 3.86Å; W167-F212 AromaticContact CD2-CE1 3.73Å; W167-F212 HydrophobicContact CD2-CE1 3.73Å; W167-F212 AromaticContact CE2-CD1 3.9Å; W167-F212 AromaticContact CE2-CE1 3.52Å; W167-F212 HydrophobicContact CE3-CD1 4.36Å; W167-F212 AromaticContact CE3-CE1 3.96Å; W167-F212 HydrophobicContact CE3-CE1 3.96Å; W167-F212 HydrophobicContact CG-CD1 4.02Å; W167-F212 HydrophobicContact CG-CE1 4.37Å; W167-F212 AromaticContact CH2-CE1 3.83Å; W167-F212 HydrophobicContact CH2-CE1 3.83Å; W167-F212 HydrophobicContact CH2-CZ 4.36Å; W167-F212 HydrophobicContact CZ2-CD1 4.4Å; W167-F212 AromaticContact CZ2-CE1 3.58Å; W167-F212 HydrophobicContact CZ2-CE1 3.58Å; W167-F212 HydrophobicContact CZ2-CZ 4.05Å; W167-F212 HydrophobicContact CZ3-CE1 4.02Å; L178-F212 HydrophobicContact CD1-CB 3.87Å; L178-F212 HydrophobicContact CD1-CD1 4.21Å; L178-F212 HydrophobicContact CD1-CD2 3.79Å; L178-F212 HydrophobicContact CD1-CE2 4.4Å; L178-F212 HydrophobicContact CD1-CG 3.69Å; F212-A217 HydrophobicContact CZ-CB 4.48Å; F212-K218 WeakPolarHBondContact CD2-O 3.23Å; F212-W231 AromaticContact CD2-CH2 3.55Å; F212-W231 HydrophobicContact CD2-CH2 3.55Å; F212-W231 AromaticContact CD2-CZ3 3.43Å; F212-W231 HydrophobicContact CD2-CZ3 3.43Å; F212-W231 VanDerWaalsContact CD2-CZ3 3.43Å; F212-W231 HydrophobicContact CE2-CE3 4.44Å; F212-W231 HydrophobicContact CE2-CH2 4.14Å; F212-W231 AromaticContact CE2-CZ3 3.54Å; F212-W231 HydrophobicContact CE2-CZ3 3.54Å; F212-W231 HydrophobicContact CG-CH2 4.46Å; F212-L233 HydrophobicContact CE1-CD1 4.47Å; F212-L233 HydrophobicContact CE2-CD1 4.07Å; F212-L233 HydrophobicContact CE2-CG 4.39Å; F212-L233 HydrophobicContact CZ-CD1 3.62Å; F212-L233 HydrophobicContact CZ-CG 4.31Å
213D96.3Very high96.8Very high0 Ų034.2 Ų34.20%017%0.172CC..EExtended strand (participates in β ladder)trans-102.195.1170.7-177.63.6000108.8E215 K216 A217 K218 I257 K261 W278D213-E215 VanDerWaalsContact C-N 3.29Å; D213-E215 PolarHBondContact O-N 3.12Å; D213-E215 PolarHBondContact OD1-N 2.7Å; D213-K216 PolarHBondContact O-N 2.79Å; D213-K216 IonicContact OD2-NZ 3.26Å; D213-K216 PolarHBondContact OD2-NZ 3.29Å; D213-A217 WeakPolarHBondContact O-CA 3.39Å; D213-A217 PolarHBondContact O-N 3.2Å; D213-K218 WeakPolarHBondContact CA-O 3.44Å; D213-K218 WeakPolarHBondContact CB-O 3.45Å; D213-K218 PolarHBondContact N-O 3.18Å; D213-K218 PolarHBondContact O-N 3.05Å; D213-I257 HydrophobicContact CB-CD1 4.29Å; D213-K261 HydrophobicContact CB-CD 4.23Å; D213-K261 WeakPolarHBondContact OD1-CD 3.45Å; D213-K261 WeakPolarHBondContact OD1-CE 3.45Å; D213-W278 HydrophobicContact CB-CZ2 4.04Å; D213-W278 PolarHBondContact OD2-NE1 3.32Å
214S92.6Very high96.7Very high39 Ų3935.1 Ų35.127%0.27318%0.179SC..G310 helixtrans-64.2-30.2-179.451.10000113.2K216 A217S214-K216 PolarHBondContact O-N 2.87Å; S214-A217 PolarHBondContact O-N 2.82Å
215E91.4Very high96.7Very high146 Ų14628.9 Ų28.968%0.68215%0.15SC*.G310 helixtrans-64.4-31.5178.9-62.8176.6-173.100112.3D213D213-E215 VanDerWaalsContact C-N 3.29Å; D213-E215 PolarHBondContact O-N 3.12Å; D213-E215 PolarHBondContact OD1-N 2.7Å
216K92.7Very high96.5Very high102 Ų10229 Ų2944%0.44315%0.148SC..G310 helixtrans-111.87-179-62-167.7-166.976.10113.2D213 S214 K218D213-K216 PolarHBondContact O-N 2.79Å; D213-K216 IonicContact OD2-NZ 3.26Å; D213-K216 PolarHBondContact OD2-NZ 3.29Å; S214-K216 PolarHBondContact O-N 2.87Å; K216-K218 HydrophobicContact CB-CB 4.09Å; K216-K218 PolarHBondContact O-N 2.94Å; K216-K218 VanDerWaalsContact O-N 3.12Å
217A94.8Very high96.5Very high32 Ų3229.5 Ų29.526%0.26415%0.151SC..THydrogen-bonded Turntrans46.540.2-17300000112.6F212 D213 S214 S232 L233F212-A217 HydrophobicContact CZ-CB 4.48Å; D213-A217 WeakPolarHBondContact O-CA 3.39Å; D213-A217 PolarHBondContact O-N 3.2Å; S214-A217 PolarHBondContact O-N 2.82Å; A217-S232 CarbonylContact O-C 3.58Å; A217-S232 VanDerWaalsContact O-CA 3.3Å; A217-S232 WeakPolarHBondContact O-CA 3.37Å; A217-L233 HydrophobicContact CB-CB 4.14Å; A217-L233 PolarHBondContact O-N 3.15Å
218K96.6Very high96.5Very high27 Ų2729.5 Ų29.512%0.11715%0.151CC..EExtended strand (participates in β ladder)trans-124.4132-168.5-174.8-172.8174.8-167.50110.2F212 D213 K216 I230 W278 K279F212-K218 WeakPolarHBondContact CD2-O 3.23Å; D213-K218 WeakPolarHBondContact CA-O 3.44Å; D213-K218 WeakPolarHBondContact CB-O 3.45Å; D213-K218 PolarHBondContact N-O 3.18Å; D213-K218 PolarHBondContact O-N 3.05Å; K216-K218 HydrophobicContact CB-CB 4.09Å; K216-K218 PolarHBondContact O-N 2.94Å; K216-K218 VanDerWaalsContact O-N 3.12Å; K218-I230 HydrophobicContact CD-CG2 4.41Å; K218-I230 HydrophobicContact CG-CG2 4.25Å; K218-W278 HydrophobicContact CB-CZ2 4.12Å; K218-W278 HydrophobicContact CD-CH2 4Å; K218-W278 HydrophobicContact CD-CZ2 3.59Å; K218-W278 HydrophobicContact CG-CH2 3.96Å; K218-W278 HydrophobicContact CG-CZ2 3.65Å; K218-W278 PolarHBondContact NZ-O 3Å; K218-W278 VanDerWaalsContact NZ-O 3.08Å; K218-K279 PolarHBondContact NZ-O 3.17Å
219G97.9Very high96.5Very high0 Ų027 Ų270%014%0.139CC..EExtended strand (participates in β ladder)trans-126.8171.8178.200000113.9D211 I230 W231D211-G219 WeakPolarHBondContact O-CA 3.05Å; G219-I230 WeakPolarHBondContact O-CA 3.19Å; G219-W231 PolarHBondContact N-O 3.26Å; G219-W231 PolarHBondContact O-N 3.39Å
220I98.7Very high96.5Very high0 Ų026.7 Ų26.70%014%0.137CC..EExtended strand (participates in β ladder)trans-142.7145175.4-175.6173.8000109.6L210 D211 L228 S229 I230 I255 I257 L264 W278 M281L210-I220 CarbonylContact C-O 3.51Å; L210-I220 WeakPolarHBondContact CA-O 3.18Å; L210-I220 WeakPolarHBondContact CB-O 3.41Å; D211-I220 PolarHBondContact N-O 2.83Å; D211-I220 PolarHBondContact O-N 2.87Å; I220-L228 HydrophobicContact CD1-CB 4.15Å; I220-L228 HydrophobicContact CD1-CD1 4.2Å; I220-L228 HydrophobicContact CG1-CB 4.47Å; I220-S229 CarbonylContact C-O 3.5Å; I220-S229 VanDerWaalsContact CA-O 3.29Å; I220-S229 WeakPolarHBondContact CA-O 3.43Å; I220-S229 WeakPolarHBondContact CG1-O 3.37Å; I220-I230 HydrophobicContact CD1-CG1 4.3Å; I220-I230 HydrophobicContact CG1-CG1 4.25Å; I220-I255 HydrophobicContact CG1-CD1 4.4Å; I220-I255 HydrophobicContact CG2-CG2 3.76Å; I220-I257 HydrophobicContact CG2-CD1 4.23Å; I220-I257 HydrophobicContact CG2-CG1 4.38Å; I220-L264 HydrophobicContact CD1-CD2 3.32Å; I220-L264 HydrophobicContact CG2-CD1 4.19Å; I220-L264 HydrophobicContact CG2-CD2 4.5Å; I220-W278 HydrophobicContact CB-CH2 3.88Å; I220-W278 HydrophobicContact CB-CZ3 3.83Å; I220-W278 HydrophobicContact CD1-CZ3 4.24Å; I220-W278 HydrophobicContact CG2-CH2 3.95Å; I220-W278 HydrophobicContact CG2-CZ3 3.88Å; I220-M281 HydrophobicContact CD1-CE 3.65Å; I220-M281 HydrophobicContact CD1-SD 4.23Å
221S98.6Very high96.5Very high0 Ų026.2 Ų26.20%013%0.134CC..EExtended strand (participates in β ladder)trans-134.4155.617452.10000111.4H203 S209 L228 S229 W231 I255H203-S221 PolarHBondContact CD2-OG 3.16Å; H203-S221 WeakPolarHBondContact NE2-CB 3.46Å; H203-S221 PolarHBondContact NE2-O 3.39Å; H203-S221 PolarHBondContact NE2-OG 3.11Å; S209-S221 WeakPolarHBondContact O-CA 3.34Å; S221-L228 WeakPolarHBondContact O-CA 3.41Å; S221-S229 PolarHBondContact N-O 3.48Å; S221-S229 PolarHBondContact O-N 3.25Å; S221-W231 PolarHBondContact OG-NE1 2.95Å; S221-I255 VanDerWaalsContact C-CD1 3.5Å
222G98Very high96.4Very high0 Ų027.4 Ų27.40%014%0.143CC..EExtended strand (participates in β ladder)trans-138.1151.9172.900000110.9M208 S209 I255M208-G222 PolarHBondContact N-O 2.99Å; S209-G222 PolarHBondContact N-O 3.25Å; S209-G222 PolarHBondContact O-N 3.41Å; G222-I255 VanDerWaalsContact N-CD1 3.25Å
223S97.4Very high96.3Very high0 Ų028.1 Ų28.10%015%0.147CC..EExtended strand (participates in β ladder)trans-129.3-169.2-177.968.70000111.2H203 P206 E225 I252H203-S223 PolarHBondContact ND1-OG 3.19Å; P206-S223 VanDerWaalsContact O-CA 3.29Å; P206-S223 WeakPolarHBondContact O-CA 3.48Å; P206-S223 WeakPolarHBondContact O-CB 3.26Å; S223-E225 PolarHBondContact O-N 3Å; S223-E225 WeakPolarHBondContact OG-CB 3.26Å; S223-E225 VanDerWaalsContact OG-CD 3.28Å; S223-E225 WeakPolarHBondContact OG-CG 3.35Å; S223-E225 PolarHBondContact OG-N 3.28Å; S223-E225 VanDerWaalsContact OG-N 3.1Å; S223-I252 PolarHBondContact O-N 2.71Å
224S95.5Very high96.2Very high23 Ų2330.3 Ų30.316%0.16116%0.159CC..SBendtrans-65.9-12.7168.267.50000112.6E205 S250 G251 W269E205-S224 WeakPolarHBondContact CB-OG 3.03Å; E205-S224 VanDerWaalsContact CG-OG 3.27Å; E205-S224 WeakPolarHBondContact CG-OG 3.43Å; E205-S224 PolarHBondContact OE2-OG 2.88Å; E205-S224 VanDerWaalsContact OE2-OG 3.06Å; S224-S250 VanDerWaalsContact O-CB 3.28Å; S224-S250 WeakPolarHBondContact O-CB 3.39Å; S224-G251 PolarHBondContact O-N 3.09Å; S224-W269 VanDerWaalsContact CB-CH2 3.44Å
225E95.3Very high96Very high35 Ų3537.1 Ų37.116%0.16419%0.186CC..SBendtrans-80.9-178-175.392.5-160.6178.800112.9H203 Q204 E205 S223 V227 G251H203-E225 IonicContact CE1-OE1 3.39Å; H203-E225 IonicContact CG-OE1 2.83Å; H203-E225 IonicContact ND1-OE1 3.71Å; H203-E225 PolarHBondContact ND1-OE1 3.27Å; Q204-E225 PolarHBondContact N-OE2 2.8Å; E205-E225 HydrophobicContact CB-CB 4.46Å; E205-E225 HydrophobicContact CG-CB 4.26Å; S223-E225 PolarHBondContact O-N 3Å; S223-E225 WeakPolarHBondContact OG-CB 3.26Å; S223-E225 VanDerWaalsContact OG-CD 3.28Å; S223-E225 WeakPolarHBondContact OG-CG 3.35Å; S223-E225 PolarHBondContact OG-N 3.28Å; S223-E225 VanDerWaalsContact OG-N 3.1Å; E225-V227 VanDerWaalsContact C-N 3.32Å; E225-V227 HydrophobicContact CG-CB 3.89Å; E225-V227 HydrophobicContact CG-CG2 4.29Å; E225-V227 PolarHBondContact O-N 3.36Å; E225-V227 WeakPolarHBondContact OE1-CB 3.31Å; E225-G251 PolarHBondContact O-N 3.4Å
226K95.3Very high96Very high93 Ų9336 Ų3640%0.40418%0.181SC..SBendtrans-94.231.9179.3-61-167.1175.7-163.30113.1K246 L247 V248K226-K246 CarbonylContact O-C 3.58Å; K226-K246 WeakPolarHBondContact O-CA 3.27Å; K226-L247 PolarHBondContact O-N 3.38Å; K226-V248 PolarHBondContact NZ-O 2.9Å; K226-V248 VanDerWaalsContact NZ-O 3.08Å
227V96.3Very high95.9Very high38 Ų3834.8 Ų34.823%0.2318%0.177CC..EExtended strand (participates in β ladder)trans-141.2134.7-174.2-178.50000110.3H203 E225 T244 H245H203-V227 PolarHBondContact CE1-O 3.12Å; E225-V227 VanDerWaalsContact C-N 3.32Å; E225-V227 HydrophobicContact CG-CB 3.89Å; E225-V227 HydrophobicContact CG-CG2 4.29Å; E225-V227 PolarHBondContact O-N 3.36Å; E225-V227 WeakPolarHBondContact OE1-CB 3.31Å; V227-T244 HydrophobicContact CG1-CG2 4.13Å; V227-H245 WeakPolarHBondContact CA-O 3.48Å
228L98.1Very high96Very high0 Ų036.3 Ų36.30%018%0.181CC..EExtended strand (participates in β ladder)trans-94.1130.7160.4-62.3171.7000108.3I220 S221 T244 H245 L247 I252 I255 T266 F276 M281I220-L228 HydrophobicContact CD1-CB 4.15Å; I220-L228 HydrophobicContact CD1-CD1 4.2Å; I220-L228 HydrophobicContact CG1-CB 4.47Å; S221-L228 WeakPolarHBondContact O-CA 3.41Å; L228-T244 CarbonylContact O-C 3.58Å; L228-T244 WeakPolarHBondContact O-CA 3.27Å; L228-H245 HydrophobicContact CB-CB 4.3Å; L228-H245 PolarHBondContact N-O 2.81Å; L228-H245 PolarHBondContact O-N 3.22Å; L228-L247 HydrophobicContact CD1-CD2 4.09Å; L228-L247 HydrophobicContact CD2-CD1 4.4Å; L228-L247 HydrophobicContact CG-CD1 4.09Å; L228-L247 HydrophobicContact CG-CD2 4.27Å; L228-L247 HydrophobicContact CG-CG 4.33Å; L228-I252 HydrophobicContact CD2-CD1 4.41Å; L228-I252 HydrophobicContact CD2-CG1 3.96Å; L228-I255 HydrophobicContact CD2-CD1 3.77Å; L228-T266 HydrophobicContact CD1-CG2 4.14Å; L228-T266 HydrophobicContact CD2-CG2 4.34Å; L228-F276 HydrophobicContact CD1-CE2 3.99Å; L228-F276 HydrophobicContact CD1-CZ 4.09Å; L228-M281 HydrophobicContact CD1-CE 4.25Å
229S98.3Very high96Very high1 Ų135.4 Ų35.41%0.00718%0.177CC..EExtended strand (participates in β ladder)trans-102.2125176.8-156.20000109.5C202 H203 I220 S221C202-S229 WeakPolarHBondContact CB-OG 3.37Å; C202-S229 PolarHBondContact O-OG 3.04Å; H203-S229 WeakPolarHBondContact NE2-CB 3.31Å; I220-S229 CarbonylContact C-O 3.5Å; I220-S229 VanDerWaalsContact CA-O 3.29Å; I220-S229 WeakPolarHBondContact CA-O 3.43Å; I220-S229 WeakPolarHBondContact CG1-O 3.37Å; S221-S229 PolarHBondContact N-O 3.48Å; S221-S229 PolarHBondContact O-N 3.25Å
230I98.4Very high96Very high1 Ų140.4 Ų40.41%0.00520%0.201CC..EExtended strand (participates in β ladder)trans-108.3126.8177.2-57.894.6000107.3K218 G219 I220 H242 K243 H245 W278 M281K218-I230 HydrophobicContact CD-CG2 4.41Å; K218-I230 HydrophobicContact CG-CG2 4.25Å; G219-I230 WeakPolarHBondContact O-CA 3.19Å; I220-I230 HydrophobicContact CD1-CG1 4.3Å; I220-I230 HydrophobicContact CG1-CG1 4.25Å; I230-H242 PolarHBondContact O-N 3.34Å; I230-K243 WeakPolarHBondContact CA-O 3.28Å; I230-K243 HydrophobicContact CB-CB 4.37Å; I230-K243 VanDerWaalsContact CB-O 3.29Å; I230-K243 WeakPolarHBondContact CB-O 3.35Å; I230-K243 HydrophobicContact CD1-CB 4.42Å; I230-K243 VanDerWaalsContact CD1-O 3.29Å; I230-K243 WeakPolarHBondContact CD1-O 3.32Å; I230-K243 PolarHBondContact N-O 3.41Å; I230-K243 PolarHBondContact O-N 2.99Å; I230-K243 VanDerWaalsContact O-O 3.11Å; I230-H245 HydrophobicContact CD1-CB 4.23Å; I230-W278 HydrophobicContact CG2-CH2 4.45Å; I230-M281 HydrophobicContact CD1-CE 4.26Å; I230-M281 HydrophobicContact CD1-CG 4.01Å; I230-M281 HydrophobicContact CG1-CE 4.39Å; I230-M281 HydrophobicContact CG1-CG 3.9Å; I230-M281 HydrophobicContact CG1-SD 4.31Å
231W98.4Very high96Very high0 Ų043.5 Ų43.50%022%0.219CC..EExtended strand (participates in β ladder)trans-133.1163.6-175.143-97.1000110.6L178 V186 L200 F212 G219 S221 L239 Q240L178-W231 HydrophobicContact CD1-CH2 3.58Å; L178-W231 HydrophobicContact CD1-CZ3 4.13Å; L178-W231 HydrophobicContact CD2-CH2 3.78Å; L178-W231 HydrophobicContact CD2-CZ3 3.99Å; L178-W231 HydrophobicContact CG-CH2 4.24Å; V186-W231 HydrophobicContact CG1-CZ2 4.5Å; L200-W231 HydrophobicContact CD2-CB 3.6Å; L200-W231 HydrophobicContact CD2-CG 4.02Å; F212-W231 AromaticContact CD2-CH2 3.55Å; F212-W231 HydrophobicContact CD2-CH2 3.55Å; F212-W231 AromaticContact CD2-CZ3 3.43Å; F212-W231 HydrophobicContact CD2-CZ3 3.43Å; F212-W231 VanDerWaalsContact CD2-CZ3 3.43Å; F212-W231 HydrophobicContact CE2-CE3 4.44Å; F212-W231 HydrophobicContact CE2-CH2 4.14Å; F212-W231 AromaticContact CE2-CZ3 3.54Å; F212-W231 HydrophobicContact CE2-CZ3 3.54Å; F212-W231 HydrophobicContact CG-CH2 4.46Å; G219-W231 PolarHBondContact N-O 3.26Å; G219-W231 PolarHBondContact O-N 3.39Å; S221-W231 PolarHBondContact OG-NE1 2.95Å; W231-L239 HydrophobicContact CD2-CD2 4.15Å; W231-L239 HydrophobicContact CE3-CD2 3.38Å; W231-L239 HydrophobicContact CZ3-CD2 3.6Å; W231-Q240 CarbonylContact C-O 3.5Å; W231-Q240 WeakPolarHBondContact CA-O 3.37Å; W231-Q240 WeakPolarHBondContact CB-O 3.46Å
232S97.1Very high95.8Very high32 Ų3249.7 Ų49.722%0.22425%0.248CC..EExtended strand (participates in β ladder)trans-135.2153.2178.152.60000110.6A217 Q240A217-S232 CarbonylContact O-C 3.58Å; A217-S232 VanDerWaalsContact O-CA 3.3Å; A217-S232 WeakPolarHBondContact O-CA 3.37Å; S232-Q240 PolarHBondContact N-O 3.49Å; S232-Q240 PolarHBondContact O-N 2.88Å
233L95.5Very high95.7Very high21 Ų2154.5 Ų54.511%0.1127%0.269CS..EExtended strand (participates in β ladder)trans-93.3126.3166.3-69.4174.8000108.8W167 L188 F212 A217 N238 L239W167-L233 HydrophobicContact CH2-CD1 4.36Å; W167-L233 HydrophobicContact CZ2-CD1 3.75Å; L188-L233 HydrophobicContact CD1-CD1 4.4Å; L188-L233 HydrophobicContact CD2-CD1 4.09Å; L188-L233 HydrophobicContact CD2-CD2 3.71Å; F212-L233 HydrophobicContact CE1-CD1 4.47Å; F212-L233 HydrophobicContact CE2-CD1 4.07Å; F212-L233 HydrophobicContact CE2-CG 4.39Å; F212-L233 HydrophobicContact CZ-CD1 3.62Å; F212-L233 HydrophobicContact CZ-CG 4.31Å; A217-L233 HydrophobicContact CB-CB 4.14Å; A217-L233 PolarHBondContact O-N 3.15Å; L233-N238 WeakPolarHBondContact CA-O 3.38Å; L233-L239 HydrophobicContact CD2-CB 4.4Å; L233-L239 HydrophobicContact CD2-CD2 3.34Å; L233-L239 HydrophobicContact CD2-CG 3.56Å; L233-L239 HydrophobicContact CG-CD2 3.98Å
234N93.4Very high95.7Very high47 Ų4758.5 Ų58.525%0.25129%0.293SS..  trans-80.2176.317073.48.3000111.4Q236 Q237 N238N234-Q236 PolarHBondContact ND2-OE1 2.93Å; N234-Q236 PolarHBondContact O-N 3.04Å; N234-Q236 VanDerWaalsContact O-N 3.15Å; N234-Q236 VanDerWaalsContact OD1-C 3.32Å; N234-Q236 WeakPolarHBondContact OD1-CA 3.26Å; N234-Q236 PolarHBondContact OD1-N 3.45Å; N234-Q237 PolarHBondContact O-N 2.75Å; N234-Q237 PolarHBondContact OD1-N 2.88Å; N234-N238 PolarHBondContact N-O 3.48Å; N234-N238 VanDerWaalsContact N-O 3.1Å; N234-N238 WeakPolarHBondContact OD1-CB 3.49Å; N234-N238 PolarHBondContact OD1-N 3.02Å
235E88.8Confident95.7Very high182 Ų18259.1 Ų59.185%0.8529%0.294SS*.THydrogen-bonded Turntrans-58-28.6-179.9-65.2177.5178.300113Q237E235-Q237 VanDerWaalsContact C-N 3.27Å; E235-Q237 PolarHBondContact O-N 3.23Å
236Q91Very high95.8Very high123 Ų12365.4 Ų65.458%0.57532%0.32SS*.THydrogen-bonded Turntrans-89.316.7177.3-58.676.726.500112.9N234 N238N234-Q236 PolarHBondContact ND2-OE1 2.93Å; N234-Q236 PolarHBondContact O-N 3.04Å; N234-Q236 VanDerWaalsContact O-N 3.15Å; N234-Q236 VanDerWaalsContact OD1-C 3.32Å; N234-Q236 WeakPolarHBondContact OD1-CA 3.26Å; N234-Q236 PolarHBondContact OD1-N 3.45Å; Q236-N238 WeakPolarHBondContact CB-ND2 3.35Å; Q236-N238 PolarHBondContact O-N 2.95Å; Q236-N238 PolarHBondContact O-ND2 3.06Å
237Q91.5Very high95.8Very high75 Ų7561.4 Ų61.435%0.3530%0.303SS..  trans60.724.5179.2-57.1-178-33.300114.7L188 L197 S198 N234 E235L188-Q237 HydrophobicContact CD2-CB 4.04Å; L197-Q237 HydrophobicContact CD1-CB 4.4Å; S198-Q237 WeakPolarHBondContact CB-O 3.27Å; N234-Q237 PolarHBondContact O-N 2.75Å; N234-Q237 PolarHBondContact OD1-N 2.88Å; E235-Q237 VanDerWaalsContact C-N 3.27Å; E235-Q237 PolarHBondContact O-N 3.23Å
238N95.9Very high95.6Very high64 Ų6465 Ų6534%0.34233%0.325SS..  trans-89130.9174.2-64.7-71.9000111.2S198 L233 N234 Q236S198-N238 WeakPolarHBondContact OG-CA 3.44Å; L233-N238 WeakPolarHBondContact CA-O 3.38Å; N234-N238 PolarHBondContact N-O 3.48Å; N234-N238 VanDerWaalsContact N-O 3.1Å; N234-N238 WeakPolarHBondContact OD1-CB 3.49Å; N234-N238 PolarHBondContact OD1-N 3.02Å; Q236-N238 WeakPolarHBondContact CB-ND2 3.35Å; Q236-N238 PolarHBondContact O-N 2.95Å; Q236-N238 PolarHBondContact O-ND2 3.06Å
239L97.6Very high95.4Very high9 Ų968.2 Ų68.25%0.04734%0.342CS..EExtended strand (participates in β ladder)trans-76.2130.8172.8-74.1166.7000110.2L178 V186 L188 S198 L200 W231 L233L178-L239 HydrophobicContact CD2-CD1 4.32Å; L178-L239 HydrophobicContact CD2-CD2 4.14Å; V186-L239 HydrophobicContact CG1-CD1 4.09Å; V186-L239 WeakPolarHBondContact O-CD1 3.43Å; L188-L239 HydrophobicContact CB-CD1 3.99Å; L188-L239 HydrophobicContact CB-CG 4.38Å; S198-L239 PolarHBondContact OG-N 3.46Å; L200-L239 HydrophobicContact CB-CB 3.56Å; L200-L239 HydrophobicContact CB-CD1 4.18Å; L200-L239 HydrophobicContact CB-CG 4.49Å; L200-L239 HydrophobicContact CD2-CB 4.07Å; L200-L239 HydrophobicContact CG-CB 4.36Å; W231-L239 HydrophobicContact CD2-CD2 4.15Å; W231-L239 HydrophobicContact CE3-CD2 3.38Å; W231-L239 HydrophobicContact CZ3-CD2 3.6Å; L233-L239 HydrophobicContact CD2-CB 4.4Å; L233-L239 HydrophobicContact CD2-CD2 3.34Å; L233-L239 HydrophobicContact CD2-CG 3.56Å; L233-L239 HydrophobicContact CG-CD2 3.98Å
240Q97.5Very high95.3Very high105 Ų10570.9 Ų70.949%0.49136%0.361SS..EExtended strand (participates in β ladder)trans-137.2137.8176.1-62.3-175.9-1.500110.7W231 S232 H242W231-Q240 CarbonylContact C-O 3.5Å; W231-Q240 WeakPolarHBondContact CA-O 3.37Å; W231-Q240 WeakPolarHBondContact CB-O 3.46Å; S232-Q240 PolarHBondContact N-O 3.49Å; S232-Q240 PolarHBondContact O-N 2.88Å; Q240-H242 PolarHBondContact O-N 2.78Å
241V97.4Very high95.1Very high65 Ų6570.9 Ų70.939%0.39436%0.361SS..EExtended strand (participates in β ladder)trans-66.5121.2170.2177.20000108.3L200 C202 T244L200-V241 HydrophobicContact CD1-CG2 3.82Å; L200-V241 HydrophobicContact CD2-CG2 3.9Å; L200-V241 HydrophobicContact CG-CG2 4.19Å; C202-V241 HydrophobicContact CB-CG2 4.13Å; V241-T244 HydrophobicContact CG1-CG2 4.14Å
242H95.1Very high95.1Very high129 Ų12971 Ų7160%0.59736%0.362SS*.EExtended strand (participates in β ladder)trans-94-41.7177.6178.374.1000111.4I230 Q240I230-H242 PolarHBondContact O-N 3.34Å; Q240-H242 PolarHBondContact O-N 2.78Å
243K96Very high95.1Very high102 Ų10270.2 Ų70.244%0.44336%0.357SS..EExtended strand (participates in β ladder)trans-160.2151.8-177.5-175171.6-179179.60110.2I230I230-K243 WeakPolarHBondContact CA-O 3.28Å; I230-K243 HydrophobicContact CB-CB 4.37Å; I230-K243 VanDerWaalsContact CB-O 3.29Å; I230-K243 WeakPolarHBondContact CB-O 3.35Å; I230-K243 HydrophobicContact CD1-CB 4.42Å; I230-K243 VanDerWaalsContact CD1-O 3.29Å; I230-K243 WeakPolarHBondContact CD1-O 3.32Å; I230-K243 PolarHBondContact N-O 3.41Å; I230-K243 PolarHBondContact O-N 2.99Å; I230-K243 VanDerWaalsContact O-O 3.11Å
244T97Very high95.3Very high83 Ų8370 Ų7051%0.50936%0.355SS..EExtended strand (participates in β ladder)trans-114.8150.8167.658.10000110.6V227 L228 V241V227-T244 HydrophobicContact CG1-CG2 4.13Å; L228-T244 CarbonylContact O-C 3.58Å; L228-T244 WeakPolarHBondContact O-CA 3.27Å; V241-T244 HydrophobicContact CG1-CG2 4.14Å
245H96.6Very high95.5Very high37 Ų3768 Ų6817%0.17135%0.345CS..EExtended strand (participates in β ladder)trans-126113.9174.8-17396000109.5V227 L228 I230 F276V227-H245 WeakPolarHBondContact CA-O 3.48Å; L228-H245 HydrophobicContact CB-CB 4.3Å; L228-H245 PolarHBondContact N-O 2.81Å; L228-H245 PolarHBondContact O-N 3.22Å; I230-H245 HydrophobicContact CD1-CB 4.23Å; H245-F276 AromaticContact CD2-CE1 3.91Å; H245-F276 AromaticContact CE1-CE1 3.89Å; H245-F276 AromaticContact NE2-CE1 3.48Å; H245-F276 WeakPolarHBondContact NE2-CE1 3.37Å
246K96.4Very high96Very high167 Ų16760.5 Ų60.573%0.72631%0.311SS*.EExtended strand (participates in β ladder)trans-75.6133.4179.3-171.2174.3-178.1176.90110.7K226K226-K246 CarbonylContact O-C 3.58Å; K226-K246 WeakPolarHBondContact O-CA 3.27Å
247L94.8Very high96.3Very high9 Ų955 Ų555%0.04729%0.286CS..  trans-98.3156.9175.2-59173.5000110.4K226 L228 N249 I252 F276K226-L247 PolarHBondContact O-N 3.38Å; L228-L247 HydrophobicContact CD1-CD2 4.09Å; L228-L247 HydrophobicContact CD2-CD1 4.4Å; L228-L247 HydrophobicContact CG-CD1 4.09Å; L228-L247 HydrophobicContact CG-CD2 4.27Å; L228-L247 HydrophobicContact CG-CG 4.33Å; L247-N249 WeakPolarHBondContact CB-O 3.49Å; L247-I252 HydrophobicContact CD1-CD1 3.65Å; L247-I252 HydrophobicContact CD1-CG1 3.83Å; L247-F276 HydrophobicContact CD2-CZ 4.3Å
248V93.1Very high96.6Very high113 Ų11351.9 Ų51.969%0.68527%0.271SS*.SBendtrans-70.9-46.5174.6-179.50000110.3K226K226-V248 PolarHBondContact NZ-O 2.9Å; K226-V248 VanDerWaalsContact NZ-O 3.08Å
249N94.8Very high96.4Very high68 Ų6852 Ų5236%0.36428%0.277SS..SBendtrans-113.5153.4-177.7-62.1-34.9000110.5L247 D270L247-N249 WeakPolarHBondContact CB-O 3.49Å; N249-D270 HydrophobicContact CB-CB 3.83Å; N249-D270 VanDerWaalsContact CB-OD2 3.31Å; N249-D270 WeakPolarHBondContact CB-OD2 3.08Å; N249-D270 PolarHBondContact ND2-OD2 3.01Å
250S94.6Very high96.2Very high57 Ų5753.4 Ų53.440%0.39928%0.284SS..  trans-83.6158.7179.541.10000111.2S224S224-S250 VanDerWaalsContact O-CB 3.28Å; S224-S250 WeakPolarHBondContact O-CB 3.39Å
251G95.4Very high96.1Very high1 Ų150 Ų501%0.0127%0.268CS..  trans91.4104.5168.500000113.6S224 E225 G268 W269S224-G251 PolarHBondContact O-N 3.09Å; E225-G251 PolarHBondContact O-N 3.4Å; G251-G268 WeakPolarHBondContact O-CA 3.42Å; G251-W269 VanDerWaalsContact CA-CE3 3.4Å; G251-W269 PolarHBondContact O-N 3.17Å
252I97.8Very high95.9Very high1 Ų152 Ų521%0.00527%0.271CS..EExtended strand (participates in β ladder)trans-109123168.4-62.3-60.8000108.3M208 S223 L228 L247 I255 A267M208-I252 VanDerWaalsContact CB-O 3.26Å; M208-I252 WeakPolarHBondContact CB-O 3.49Å; S223-I252 PolarHBondContact O-N 2.71Å; L228-I252 HydrophobicContact CD2-CD1 4.41Å; L228-I252 HydrophobicContact CD2-CG1 3.96Å; L247-I252 HydrophobicContact CD1-CD1 3.65Å; L247-I252 HydrophobicContact CD1-CG1 3.83Å; I252-I255 HydrophobicContact CG2-CD1 3.98Å; I252-I255 HydrophobicContact CG2-CG1 3.58Å; I252-A267 WeakPolarHBondContact CA-O 3.27Å
253S98.1Very high96Very high17 Ų1746.1 Ų46.112%0.11924%0.244CC..EExtended strand (participates in β ladder)trans-83.9-36.2172.5-53.50000111.7A267 W269 V294 H295S253-A267 PolarHBondContact N-O 3.47Å; S253-W269 PolarHBondContact OG-NE1 2.73Å; S253-W269 VanDerWaalsContact OG-NE1 3.16Å; S253-V294 WeakPolarHBondContact CB-O 3.14Å; S253-V294 PolarHBondContact OG-O 3.43Å; S253-H295 WeakPolarHBondContact CB-O 3.42Å
254D98.4Very high96.1Very high15 Ų1541.3 Ų41.38%0.0822%0.223CC..EExtended strand (participates in β ladder)trans-157.6152.9-169.8-150.63.9000113.5R113 S209 T266 A267 C296 V297R113-D254 IonicContact CZ-OD2 2.85Å; R113-D254 IonicContact NH1-OD1 3.73Å; R113-D254 PolarHBondContact NH1-OD1 3.12Å; R113-D254 VanDerWaalsContact NH1-OD1 3.16Å; R113-D254 IonicContact NH1-OD2 2.73Å; R113-D254 PolarHBondContact NH1-OD2 2.87Å; R113-D254 IonicContact NH2-OD2 2.66Å; S209-D254 PolarHBondContact OG-OD1 3.07Å; D254-T266 CarbonylContact O-C 3.52Å; D254-T266 VanDerWaalsContact O-CA 3.31Å; D254-T266 WeakPolarHBondContact O-CA 3.36Å; D254-A267 HydrophobicContact CB-CB 3.87Å; D254-A267 PolarHBondContact O-N 2.66Å; D254-C296 WeakPolarHBondContact OD2-CA 3.23Å; D254-V297 HydrophobicContact CB-CG2 4.16Å; D254-V297 PolarHBondContact OD2-N 3.37Å
255I98.6Very high96.2Very high6 Ų637.3 Ų37.33%0.03120%0.199CC..EExtended strand (participates in β ladder)trans-141.7134.5-178.9-56.7-174000108.9S209 I220 S221 G222 L228 I252 L264 A265 T266S209-I255 PolarHBondContact OG-N 2.8Å; S209-I255 VanDerWaalsContact OG-N 3.08Å; I220-I255 HydrophobicContact CG1-CD1 4.4Å; I220-I255 HydrophobicContact CG2-CG2 3.76Å; S221-I255 VanDerWaalsContact C-CD1 3.5Å; G222-I255 VanDerWaalsContact N-CD1 3.25Å; L228-I255 HydrophobicContact CD2-CD1 3.77Å; I252-I255 HydrophobicContact CG2-CD1 3.98Å; I252-I255 HydrophobicContact CG2-CG1 3.58Å; I255-L264 HydrophobicContact CG2-CD1 3.31Å; I255-L264 HydrophobicContact CG2-CG 4.37Å; I255-A265 WeakPolarHBondContact CA-O 3.29Å; I255-T266 HydrophobicContact CG1-CG2 4.09Å; I255-T266 HydrophobicContact CG2-CG2 4.33Å
256T98.3Very high96.3Very high25 Ų2535.6 Ų35.615%0.15319%0.191CC..EExtended strand (participates in β ladder)trans-145.2131.8173.9-176.90000111.6L264 A265 V297 F299T256-L264 VanDerWaalsContact C-CD1 3.49Å; T256-L264 WeakPolarHBondContact O-CA 3.32Å; T256-L264 WeakPolarHBondContact O-CD1 3.28Å; T256-A265 HydrophobicContact CG2-CB 4.16Å; T256-A265 PolarHBondContact N-O 2.89Å; T256-A265 PolarHBondContact O-N 2.84Å; T256-V297 HydrophobicContact CG2-CB 4.15Å; T256-V297 HydrophobicContact CG2-CG2 3.76Å; T256-F299 HydrophobicContact CG2-CD2 3.68Å; T256-F299 HydrophobicContact CG2-CE2 3.85Å; T256-F299 WeakPolarHBondContact O-CE2 3.19Å
257I98.1Very high96.4Very high8 Ų827.6 Ų27.64%0.04116%0.156CC..EExtended strand (participates in β ladder)trans-89.7128.7171.9-59.2166.5000107.3D211 D213 I220 K261 L264 W278D211-I257 HydrophobicContact CB-CD1 4.13Å; D211-I257 HydrophobicContact CB-CG1 4.13Å; D211-I257 WeakPolarHBondContact OD2-CB 3.41Å; D211-I257 PolarHBondContact OD2-N 2.85Å; D213-I257 HydrophobicContact CB-CD1 4.29Å; I220-I257 HydrophobicContact CG2-CD1 4.23Å; I220-I257 HydrophobicContact CG2-CG1 4.38Å; I257-K261 HydrophobicContact CG2-CD 3.81Å; I257-L264 HydrophobicContact CG1-CD1 3.77Å; I257-W278 HydrophobicContact CD1-CD2 4.29Å; I257-W278 HydrophobicContact CD1-CH2 4.04Å; I257-W278 HydrophobicContact CD1-CZ2 3.66Å; I257-W278 HydrophobicContact CD1-CZ3 4.49Å; I257-W278 HydrophobicContact CG1-CD2 4.38Å; I257-W278 HydrophobicContact CG2-CG 4.23Å
258R96.5Very high96.5Very high8 Ų827.2 Ų27.23%0.0315%0.154CC..  trans-62.6146.5175.7-166.9166.271.7179.45.6110.2D260 K261 I263 F299 I324 Y325R258-D260 IonicContact CZ-OD1 3.78Å; R258-D260 IonicContact CZ-OD2 3.55Å; R258-D260 VanDerWaalsContact CZ-OD2 3.3Å; R258-D260 VanDerWaalsContact NE-CG 3.34Å; R258-D260 IonicContact NE-OD1 3.87Å; R258-D260 PolarHBondContact NE-OD1 2.81Å; R258-D260 IonicContact NE-OD2 3.16Å; R258-D260 PolarHBondContact NE-OD2 2.9Å; R258-D260 VanDerWaalsContact NE-OD2 3.12Å; R258-D260 IonicContact NH2-OD1 3.22Å; R258-D260 IonicContact NH2-OD2 2.62Å; R258-D260 PolarHBondContact NH2-OD2 3.47Å; R258-D260 PolarHBondContact O-N 3.27Å; R258-K261 WeakPolarHBondContact O-CA 3.3Å; R258-K261 PolarHBondContact O-N 2.81Å; R258-I263 HydrophobicContact CB-CG1 3.82Å; R258-I263 HydrophobicContact CG-CG1 4.48Å; R258-I263 PolarHBondContact N-O 3.32Å; R258-I263 VanDerWaalsContact NH1-CD1 3.32Å; R258-F299 VanDerWaalsContact CA-CD2 3.47Å; R258-F299 HydrophobicContact CB-CD1 4.2Å; R258-F299 HydrophobicContact CB-CD2 3.64Å; R258-F299 HydrophobicContact CB-CE1 4.28Å; R258-F299 HydrophobicContact CB-CE2 3.74Å; R258-F299 HydrophobicContact CB-CG 3.88Å; R258-F299 HydrophobicContact CB-CZ 4.07Å; R258-F299 HydrophobicContact CG-CB 4.14Å; R258-F299 HydrophobicContact CG-CD1 3.93Å; R258-F299 HydrophobicContact CG-CD2 4.11Å; R258-F299 HydrophobicContact CG-CE1 4.34Å; R258-F299 HydrophobicContact CG-CE2 4.5Å; R258-F299 HydrophobicContact CG-CG 3.8Å; R258-I324 PolarHBondContact NH1-O 3.43Å; R258-Y325 PolarHBondContact NH1-O 2.97Å; R258-Y325 PolarHBondContact NH2-O 3.44Å; R258-Y325 VanDerWaalsContact NH2-O 3.11Å
259S92.6Very high96.8Very high67 Ų6726.5 Ų26.547%0.46914%0.139SC..THydrogen-bonded Turntrans-52.4-33.8-176.354.10000114.1K261S259-K261 PolarHBondContact O-N 2.85Å
260D93.3Very high96.9Very high38 Ų3824.6 Ų24.620%0.20313%0.129CC..THydrogen-bonded Turntrans-77.61.5176.467.91.7000115.6R258 K262 R308R258-D260 IonicContact CZ-OD1 3.78Å; R258-D260 IonicContact CZ-OD2 3.55Å; R258-D260 VanDerWaalsContact CZ-OD2 3.3Å; R258-D260 VanDerWaalsContact NE-CG 3.34Å; R258-D260 IonicContact NE-OD1 3.87Å; R258-D260 PolarHBondContact NE-OD1 2.81Å; R258-D260 IonicContact NE-OD2 3.16Å; R258-D260 PolarHBondContact NE-OD2 2.9Å; R258-D260 VanDerWaalsContact NE-OD2 3.12Å; R258-D260 IonicContact NH2-OD1 3.22Å; R258-D260 IonicContact NH2-OD2 2.62Å; R258-D260 PolarHBondContact NH2-OD2 3.47Å; R258-D260 PolarHBondContact O-N 3.27Å; D260-K262 HydrophobicContact CB-CG 4.26Å; D260-K262 PolarHBondContact O-N 2.86Å; D260-K262 WeakPolarHBondContact OD1-CB 3.2Å; D260-K262 PolarHBondContact OD1-N 3.05Å; D260-K262 WeakPolarHBondContact OD2-CD 3.48Å; D260-R308 VanDerWaalsContact CB-NH1 3.32Å; D260-R308 IonicContact OD2-NH1 3.81Å; D260-R308 PolarHBondContact OD2-NH1 2.98Å
261K95.1Very high97Very high35 Ų3525 Ų2515%0.15213%0.125CC..SBendtrans55.823.6179.7-45.3-55.5-176.4-176.20113.4D213 I257 R258 S259 W278D213-K261 HydrophobicContact CB-CD 4.23Å; D213-K261 WeakPolarHBondContact OD1-CD 3.45Å; D213-K261 WeakPolarHBondContact OD1-CE 3.45Å; I257-K261 HydrophobicContact CG2-CD 3.81Å; R258-K261 WeakPolarHBondContact O-CA 3.3Å; R258-K261 PolarHBondContact O-N 2.81Å; S259-K261 PolarHBondContact O-N 2.85Å; K261-W278 VanDerWaalsContact O-CD1 3.31Å
262K94.3Very high97.1Very high106 Ų10628.3 Ų28.346%0.46114%0.136SC..SBendtrans-90.4-43178.4-65.8-174.2-175.2173.30112D260 W278D260-K262 HydrophobicContact CB-CG 4.26Å; D260-K262 PolarHBondContact O-N 2.86Å; D260-K262 WeakPolarHBondContact OD1-CB 3.2Å; D260-K262 PolarHBondContact OD1-N 3.05Å; D260-K262 WeakPolarHBondContact OD2-CD 3.48Å; K262-W278 PolarHBondContact O-N 2.84Å
263I96.7Very high97.2Very high6 Ų628.3 Ų28.33%0.03114%0.136CC..EExtended strand (participates in β ladder)trans-128.5161.9-177.568.6173.6000112.2R258 I275 F276 L284 F299 Y325R258-I263 HydrophobicContact CB-CG1 3.82Å; R258-I263 HydrophobicContact CG-CG1 4.48Å; R258-I263 PolarHBondContact N-O 3.32Å; R258-I263 VanDerWaalsContact NH1-CD1 3.32Å; I263-I275 HydrophobicContact CB-CG2 4.32Å; I263-I275 HydrophobicContact CD1-CG2 4.26Å; I263-F276 CarbonylContact C-O 3.59Å; I263-F276 WeakPolarHBondContact CA-O 3.42Å; I263-F276 WeakPolarHBondContact CB-O 3.34Å; I263-L284 HydrophobicContact CG2-CD1 3.93Å; I263-F299 HydrophobicContact CD1-CE1 3.71Å; I263-F299 HydrophobicContact CD1-CZ 3.71Å; I263-F299 HydrophobicContact CG1-CE1 4.19Å; I263-F299 HydrophobicContact CG1-CZ 3.8Å; I263-Y325 HydrophobicContact CD1-CD2 4.35Å; I263-Y325 HydrophobicContact CG2-CD2 4.17Å
264L97.9Very high97.1Very high0 Ų028.5 Ų28.50%014%0.135CC..EExtended strand (participates in β ladder)trans-130.3140.5177.4165.973.3000108.1I220 I255 T256 I257 T266 I275 F276 W278 M281I220-L264 HydrophobicContact CD1-CD2 3.32Å; I220-L264 HydrophobicContact CG2-CD1 4.19Å; I220-L264 HydrophobicContact CG2-CD2 4.5Å; I255-L264 HydrophobicContact CG2-CD1 3.31Å; I255-L264 HydrophobicContact CG2-CG 4.37Å; T256-L264 VanDerWaalsContact C-CD1 3.49Å; T256-L264 WeakPolarHBondContact O-CA 3.32Å; T256-L264 WeakPolarHBondContact O-CD1 3.28Å; I257-L264 HydrophobicContact CG1-CD1 3.77Å; L264-T266 HydrophobicContact CD2-CG2 4.46Å; L264-T266 HydrophobicContact CG-CG2 4.49Å; L264-I275 WeakPolarHBondContact O-CA 3.46Å; L264-F276 HydrophobicContact CB-CB 4.4Å; L264-F276 HydrophobicContact CD2-CB 4.39Å; L264-F276 HydrophobicContact CD2-CD2 4.17Å; L264-F276 PolarHBondContact N-O 3.39Å; L264-F276 PolarHBondContact O-N 3.23Å; L264-W278 HydrophobicContact CB-CE3 4.37Å; L264-W278 HydrophobicContact CD2-CE3 4.21Å; L264-W278 HydrophobicContact CD2-CZ3 4.41Å; L264-M281 HydrophobicContact CD2-CE 3.72Å; L264-M281 HydrophobicContact CD2-SD 3.88Å
265A98.5Very high97.1Very high0 Ų027.9 Ų27.90%013%0.131CC..EExtended strand (participates in β ladder)trans-115.3147.6170.100000110.8I255 T256 R274 I275 V297 F299 L310I255-A265 WeakPolarHBondContact CA-O 3.29Å; T256-A265 HydrophobicContact CG2-CB 4.16Å; T256-A265 PolarHBondContact N-O 2.89Å; T256-A265 PolarHBondContact O-N 2.84Å; A265-R274 CarbonylContact C-O 3.58Å; A265-R274 WeakPolarHBondContact CA-O 3.34Å; A265-I275 HydrophobicContact CB-CD1 3.68Å; A265-V297 HydrophobicContact CB-CB 4.4Å; A265-V297 HydrophobicContact CB-CG2 4.32Å; A265-F299 HydrophobicContact CB-CE2 3.79Å; A265-F299 HydrophobicContact CB-CZ 3.69Å; A265-L310 HydrophobicContact CB-CD1 3.88Å; A265-L310 HydrophobicContact CB-CD2 4.28Å
266T98.6Very high97Very high0 Ų027.9 Ų27.90%013%0.131CC..EExtended strand (participates in β ladder)trans-131.3140.9172.861.90000110.3L228 D254 I255 L264 I273 R274 F276L228-T266 HydrophobicContact CD1-CG2 4.14Å; L228-T266 HydrophobicContact CD2-CG2 4.34Å; D254-T266 CarbonylContact O-C 3.52Å; D254-T266 VanDerWaalsContact O-CA 3.31Å; D254-T266 WeakPolarHBondContact O-CA 3.36Å; I255-T266 HydrophobicContact CG1-CG2 4.09Å; I255-T266 HydrophobicContact CG2-CG2 4.33Å; L264-T266 HydrophobicContact CD2-CG2 4.46Å; L264-T266 HydrophobicContact CG-CG2 4.49Å; T266-I273 VanDerWaalsContact O-CA 3.31Å; T266-I273 WeakPolarHBondContact O-CA 3.39Å; T266-R274 PolarHBondContact N-O 3.06Å; T266-R274 PolarHBondContact O-N 2.98Å; T266-R274 WeakPolarHBondContact OG1-CB 3.35Å; T266-R274 PolarHBondContact OG1-O 2.85Å; T266-F276 HydrophobicContact CG2-CE2 4.17Å
267A98.5Very high96.9Very high0 Ų027.3 Ų27.30%013%0.131CC..EExtended strand (participates in β ladder)trans-99.6120.1174.800000110.2I252 S253 D254 V294 V297I252-A267 WeakPolarHBondContact CA-O 3.27Å; S253-A267 PolarHBondContact N-O 3.47Å; D254-A267 HydrophobicContact CB-CB 3.87Å; D254-A267 PolarHBondContact O-N 2.66Å; A267-V294 HydrophobicContact CB-CB 3.97Å; A267-V294 HydrophobicContact CB-CG1 3.61Å; A267-V297 HydrophobicContact CB-CG1 4.04Å; A267-V297 HydrophobicContact CB-CG2 4.1Å
268G98.2Very high96.9Very high0 Ų027 Ų270%013%0.129CC..EExtended strand (participates in β ladder)trans-100.2149.3-176.800000114.7G251 D270 H271 R272 V294G251-G268 WeakPolarHBondContact O-CA 3.42Å; G268-D270 PolarHBondContact O-N 3.3Å; G268-H271 PolarHBondContact O-N 3.24Å; G268-R272 PolarHBondContact N-O 2.85Å; G268-V294 PolarHBondContact O-N 3.15Å; G268-V294 VanDerWaalsContact O-N 3.13Å
269W98.2Very high96.7Very high99 Ų9934.2 Ų34.238%0.37516%0.16SC..THydrogen-bonded Turntrans-63.8-27.3168.9-67.8-4000112.6M208 S224 G251 S253 H271 T293M208-W269 HydrophobicContact CE-CH2 4.11Å; M208-W269 HydrophobicContact CE-CZ2 4.06Å; S224-W269 VanDerWaalsContact CB-CH2 3.44Å; G251-W269 VanDerWaalsContact CA-CE3 3.4Å; G251-W269 PolarHBondContact O-N 3.17Å; S253-W269 PolarHBondContact OG-NE1 2.73Å; S253-W269 VanDerWaalsContact OG-NE1 3.16Å; W269-H271 PolarHBondContact O-CE1 2.97Å; W269-H271 VanDerWaalsContact O-CE1 3.25Å; W269-H271 PolarHBondContact O-N 3.17Å; W269-H271 PolarHBondContact O-ND1 2.89Å; W269-T293 HydrophobicContact CB-CG2 4.44Å; W269-T293 HydrophobicContact CG-CG2 4.35Å; W269-T293 PolarHBondContact O-OG1 3.15Å
270D97.4Very high96.8Very high27 Ų2739 Ų3914%0.14417%0.173CC..THydrogen-bonded Turntrans-78.317174.875.2-26.9000114.4N249 G268 R272 R274N249-D270 HydrophobicContact CB-CB 3.83Å; N249-D270 VanDerWaalsContact CB-OD2 3.31Å; N249-D270 WeakPolarHBondContact CB-OD2 3.08Å; N249-D270 PolarHBondContact ND2-OD2 3.01Å; G268-D270 PolarHBondContact O-N 3.3Å; D270-R272 PolarHBondContact O-N 3.4Å; D270-R272 VanDerWaalsContact O-N 3.09Å; D270-R272 PolarHBondContact OD1-N 2.67Å; D270-R274 IonicContact OD1-CZ 3.68Å; D270-R274 IonicContact OD1-NH1 3.12Å; D270-R274 PolarHBondContact OD1-NH1 3.48Å; D270-R274 IonicContact OD1-NH2 2.77Å; D270-R274 IonicContact OD2-CZ 2.71Å; D270-R274 IonicContact OD2-NH1 3.3Å; D270-R274 PolarHBondContact OD2-NH1 3.03Å; D270-R274 IonicContact OD2-NH2 3.63Å; D270-R274 PolarHBondContact OD2-NH2 2.82Å
271H97.8Very high96.9Very high67 Ų6737.4 Ų37.431%0.3116%0.164SC..SBendtrans71.93.2172.4-30.7-32.7000113.5G268 W269 H290 A292 T293G268-H271 PolarHBondContact O-N 3.24Å; W269-H271 PolarHBondContact O-CE1 2.97Å; W269-H271 VanDerWaalsContact O-CE1 3.25Å; W269-H271 PolarHBondContact O-N 3.17Å; W269-H271 PolarHBondContact O-ND1 2.89Å; H271-H290 WeakPolarHBondContact CB-O 3.37Å; H271-A292 WeakPolarHBondContact CA-O 3.5Å; H271-A292 VanDerWaalsContact CB-O 3.25Å; H271-A292 WeakPolarHBondContact CB-O 3.38Å; H271-A292 VanDerWaalsContact ND1-CA 3.33Å; H271-A292 WeakPolarHBondContact ND1-CA 3.24Å; H271-A292 PolarHBondContact ND1-O 2.86Å; H271-T293 PolarHBondContact ND1-N 3.32Å
272R97.1Very high96.9Very high69 Ų6942.3 Ų42.326%0.2619%0.185SC..  trans-96144.6-179.7-59.2-61.2-178.4-113.18.4111.1G268 D270 V286 D288G268-R272 PolarHBondContact N-O 2.85Å; D270-R272 PolarHBondContact O-N 3.4Å; D270-R272 VanDerWaalsContact O-N 3.09Å; D270-R272 PolarHBondContact OD1-N 2.67Å; R272-V286 HydrophobicContact CB-CG1 3.97Å; R272-V286 HydrophobicContact CG-CG1 4.1Å; R272-D288 IonicContact CZ-OD1 3.96Å; R272-D288 IonicContact CZ-OD2 2.7Å; R272-D288 IonicContact NE-OD1 3.47Å; R272-D288 IonicContact NE-OD2 2.71Å; R272-D288 PolarHBondContact NE-OD2 3.43Å; R272-D288 VanDerWaalsContact NH1-CG 3.33Å; R272-D288 IonicContact NH1-OD1 2.8Å; R272-D288 PolarHBondContact NH1-OD1 2.84Å; R272-D288 IonicContact NH1-OD2 3.5Å; R272-D288 IonicContact NH2-OD1 3.38Å; R272-D288 PolarHBondContact NH2-OD1 3.45Å; R272-D288 IonicContact NH2-OD2 2.94Å; R272-D288 PolarHBondContact NH2-OD2 2.96Å
273I98.3Very high96.9Very high1 Ų140.9 Ų40.91%0.00519%0.187CC..EExtended strand (participates in β ladder)trans-103.9127.9165.7-55.5147.2000107T266 I275 V286 L287 V294 V297 L310 A312 W322T266-I273 VanDerWaalsContact O-CA 3.31Å; T266-I273 WeakPolarHBondContact O-CA 3.39Å; I273-I275 HydrophobicContact CG2-CD1 4.07Å; I273-V286 CarbonylContact O-C 3.59Å; I273-V286 WeakPolarHBondContact O-CA 3.32Å; I273-L287 HydrophobicContact CB-CB 4.05Å; I273-L287 HydrophobicContact CB-CD1 4Å; I273-L287 HydrophobicContact CB-CG 4.21Å; I273-L287 HydrophobicContact CD1-CB 4.3Å; I273-L287 HydrophobicContact CD1-CD1 4.21Å; I273-L287 HydrophobicContact CG2-CD1 3.89Å; I273-L287 HydrophobicContact CG2-CG 4.45Å; I273-L287 PolarHBondContact N-O 2.78Å; I273-L287 PolarHBondContact O-N 3.34Å; I273-V294 HydrophobicContact CG1-CG1 4.16Å; I273-V294 HydrophobicContact CG1-CG2 4.16Å; I273-V297 HydrophobicContact CG1-CG1 4.39Å; I273-V297 HydrophobicContact CG2-CG1 4.01Å; I273-L310 HydrophobicContact CG2-CD2 4.22Å; I273-A312 HydrophobicContact CD1-CB 3.27Å; I273-A312 HydrophobicContact CG1-CB 3.89Å; I273-W322 HydrophobicContact CD1-CZ2 4.25Å
274R97.4Very high96.8Very high22 Ų2243.5 Ų43.58%0.08320%0.201CC..EExtended strand (participates in β ladder)trans-112.8131179.7-57169.4167.274.37110.4A265 T266 D270 F276 V286A265-R274 CarbonylContact C-O 3.58Å; A265-R274 WeakPolarHBondContact CA-O 3.34Å; T266-R274 PolarHBondContact N-O 3.06Å; T266-R274 PolarHBondContact O-N 2.98Å; T266-R274 WeakPolarHBondContact OG1-CB 3.35Å; T266-R274 PolarHBondContact OG1-O 2.85Å; D270-R274 IonicContact OD1-CZ 3.68Å; D270-R274 IonicContact OD1-NH1 3.12Å; D270-R274 PolarHBondContact OD1-NH1 3.48Å; D270-R274 IonicContact OD1-NH2 2.77Å; D270-R274 IonicContact OD2-CZ 2.71Å; D270-R274 IonicContact OD2-NH1 3.3Å; D270-R274 PolarHBondContact OD2-NH1 3.03Å; D270-R274 IonicContact OD2-NH2 3.63Å; D270-R274 PolarHBondContact OD2-NH2 2.82Å; R274-F276 HydrophobicContact CB-CD2 4.43Å; R274-F276 HydrophobicContact CB-CE2 3.56Å; R274-F276 HydrophobicContact CB-CZ 3.9Å; R274-V286 HydrophobicContact CG-CG2 4.39Å
275I97.4Very high96.6Very high1 Ų144.5 Ų44.51%0.00521%0.209CC..EExtended strand (participates in β ladder)trans-108130.9179.3-50.8-58000109.5I263 L264 A265 I273 L284 A285 L287 L310 I324 Y325I263-I275 HydrophobicContact CB-CG2 4.32Å; I263-I275 HydrophobicContact CD1-CG2 4.26Å; L264-I275 WeakPolarHBondContact O-CA 3.46Å; A265-I275 HydrophobicContact CB-CD1 3.68Å; I273-I275 HydrophobicContact CG2-CD1 4.07Å; I275-L284 HydrophobicContact CG2-CB 4.34Å; I275-L284 HydrophobicContact CG2-CD1 4.43Å; I275-L284 PolarHBondContact O-N 2.86Å; I275-A285 HydrophobicContact CB-CB 4.27Å; I275-A285 HydrophobicContact CG1-CB 4.41Å; I275-A285 PolarHBondContact N-O 3.35Å; I275-A285 PolarHBondContact O-N 2.83Å; I275-L287 HydrophobicContact CD1-CD1 4.33Å; I275-L287 HydrophobicContact CG1-CD1 4.27Å; I275-L287 HydrophobicContact CG1-CG 4.36Å; I275-L310 HydrophobicContact CD1-CD2 3.64Å; I275-I324 HydrophobicContact CD1-CD1 4.37Å; I275-I324 HydrophobicContact CG1-CD1 4.21Å; I275-Y325 HydrophobicContact CG2-CD2 4.29Å; I275-Y325 HydrophobicContact CG2-CE2 4.03Å
276F97.3Very high96.4Very high6 Ų648 Ų483%0.02623%0.231CC..EExtended strand (participates in β ladder)trans-125.1146.7178.3-57.7-92.2000110.8L228 H245 L247 I263 L264 T266 R274 W278 M281 K282 P283L228-F276 HydrophobicContact CD1-CE2 3.99Å; L228-F276 HydrophobicContact CD1-CZ 4.09Å; H245-F276 AromaticContact CD2-CE1 3.91Å; H245-F276 AromaticContact CE1-CE1 3.89Å; H245-F276 AromaticContact NE2-CE1 3.48Å; H245-F276 WeakPolarHBondContact NE2-CE1 3.37Å; L247-F276 HydrophobicContact CD2-CZ 4.3Å; I263-F276 CarbonylContact C-O 3.59Å; I263-F276 WeakPolarHBondContact CA-O 3.42Å; I263-F276 WeakPolarHBondContact CB-O 3.34Å; L264-F276 HydrophobicContact CB-CB 4.4Å; L264-F276 HydrophobicContact CD2-CB 4.39Å; L264-F276 HydrophobicContact CD2-CD2 4.17Å; L264-F276 PolarHBondContact N-O 3.39Å; L264-F276 PolarHBondContact O-N 3.23Å; T266-F276 HydrophobicContact CG2-CE2 4.17Å; R274-F276 HydrophobicContact CB-CD2 4.43Å; R274-F276 HydrophobicContact CB-CE2 3.56Å; R274-F276 HydrophobicContact CB-CZ 3.9Å; F276-W278 PolarHBondContact O-N 3.31Å; F276-M281 HydrophobicContact CB-CE 4.26Å; F276-M281 HydrophobicContact CB-SD 4.47Å; F276-M281 HydrophobicContact CD1-CE 4.28Å; F276-M281 HydrophobicContact CD2-CE 4.47Å; F276-M281 HydrophobicContact CG-CE 4.1Å; F276-K282 CarbonylContact C-O 3.59Å; F276-K282 VanDerWaalsContact CA-O 3.25Å; F276-K282 WeakPolarHBondContact CA-O 3.24Å; F276-P283 HydrophobicContact CD1-CB 4.29Å; F276-P283 HydrophobicContact CD1-CG 4.24Å; F276-P283 HydrophobicContact CE1-CB 4.24Å; F276-P283 HydrophobicContact CE1-CG 4.1Å
277G96.8Very high96.3Very high14 Ų1448.1 Ų48.114%0.14423%0.231CC..EExtended strand (participates in β ladder)trans-74.2111.1164.200000108.8K279 K280 M281 K282 L284G277-K279 PolarHBondContact O-N 2.97Å; G277-K280 PolarHBondContact O-N 3.42Å; G277-M281 VanDerWaalsContact O-CA 3.24Å; G277-M281 WeakPolarHBondContact O-CA 3.32Å; G277-M281 PolarHBondContact O-N 2.78Å; G277-K282 PolarHBondContact N-O 2.81Å; G277-K282 PolarHBondContact O-N 3.5Å; G277-L284 VanDerWaalsContact N-CD1 3.31Å
278W96.6Very high96.2Very high0 Ų051.5 Ų51.50%025%0.249CC..THydrogen-bonded Turntrans-60.9-39.6-166.4172.8-129.7000113.4D213 K218 I220 I230 I257 K261 K262 L264 F276 K280 M281D213-W278 HydrophobicContact CB-CZ2 4.04Å; D213-W278 PolarHBondContact OD2-NE1 3.32Å; K218-W278 HydrophobicContact CB-CZ2 4.12Å; K218-W278 HydrophobicContact CD-CH2 4Å; K218-W278 HydrophobicContact CD-CZ2 3.59Å; K218-W278 HydrophobicContact CG-CH2 3.96Å; K218-W278 HydrophobicContact CG-CZ2 3.65Å; K218-W278 PolarHBondContact NZ-O 3Å; K218-W278 VanDerWaalsContact NZ-O 3.08Å; I220-W278 HydrophobicContact CB-CH2 3.88Å; I220-W278 HydrophobicContact CB-CZ3 3.83Å; I220-W278 HydrophobicContact CD1-CZ3 4.24Å; I220-W278 HydrophobicContact CG2-CH2 3.95Å; I220-W278 HydrophobicContact CG2-CZ3 3.88Å; I230-W278 HydrophobicContact CG2-CH2 4.45Å; I257-W278 HydrophobicContact CD1-CD2 4.29Å; I257-W278 HydrophobicContact CD1-CH2 4.04Å; I257-W278 HydrophobicContact CD1-CZ2 3.66Å; I257-W278 HydrophobicContact CD1-CZ3 4.49Å; I257-W278 HydrophobicContact CG1-CD2 4.38Å; I257-W278 HydrophobicContact CG2-CG 4.23Å; K261-W278 VanDerWaalsContact O-CD1 3.31Å; K262-W278 PolarHBondContact O-N 2.84Å; L264-W278 HydrophobicContact CB-CE3 4.37Å; L264-W278 HydrophobicContact CD2-CE3 4.21Å; L264-W278 HydrophobicContact CD2-CZ3 4.41Å; F276-W278 PolarHBondContact O-N 3.31Å; W278-K280 PolarHBondContact O-N 3.41Å; W278-M281 HydrophobicContact CE3-SD 3.56Å; W278-M281 VanDerWaalsContact CE3-SD 3.56Å; W278-M281 HydrophobicContact CZ3-SD 3.67Å
279K93.7Very high96.1Very high161 Ų16153.8 Ų53.870%0.726%0.258SS*.THydrogen-bonded Turntrans-54.5-48.4-177.9-173.5172.8-177.4172.40112.6K218 G277K218-K279 PolarHBondContact NZ-O 3.17Å; G277-K279 PolarHBondContact O-N 2.97Å
280K93.1Very high96.1Very high166 Ų16649.3 Ų49.372%0.72224%0.241SC*.THydrogen-bonded Turntrans-111-1.9-174.7-64.7-172.8178.1-1770114.1G277 W278 K282G277-K280 PolarHBondContact O-N 3.42Å; W278-K280 PolarHBondContact O-N 3.41Å; K280-K282 VanDerWaalsContact C-N 3.25Å; K280-K282 PolarHBondContact O-N 2.93Å
281M95.9Very high96.1Very high5 Ų553 Ų533%0.02527%0.265CS..THydrogen-bonded Turntrans5343-168-68.8-61.3-63.700112.5I220 L228 I230 L264 F276 G277 W278I220-M281 HydrophobicContact CD1-CE 3.65Å; I220-M281 HydrophobicContact CD1-SD 4.23Å; L228-M281 HydrophobicContact CD1-CE 4.25Å; I230-M281 HydrophobicContact CD1-CE 4.26Å; I230-M281 HydrophobicContact CD1-CG 4.01Å; I230-M281 HydrophobicContact CG1-CE 4.39Å; I230-M281 HydrophobicContact CG1-CG 3.9Å; I230-M281 HydrophobicContact CG1-SD 4.31Å; L264-M281 HydrophobicContact CD2-CE 3.72Å; L264-M281 HydrophobicContact CD2-SD 3.88Å; F276-M281 HydrophobicContact CB-CE 4.26Å; F276-M281 HydrophobicContact CB-SD 4.47Å; F276-M281 HydrophobicContact CD1-CE 4.28Å; F276-M281 HydrophobicContact CD2-CE 4.47Å; F276-M281 HydrophobicContact CG-CE 4.1Å; G277-M281 VanDerWaalsContact O-CA 3.24Å; G277-M281 WeakPolarHBondContact O-CA 3.32Å; G277-M281 PolarHBondContact O-N 2.78Å; W278-M281 HydrophobicContact CE3-SD 3.56Å; W278-M281 VanDerWaalsContact CE3-SD 3.56Å; W278-M281 HydrophobicContact CZ3-SD 3.67Å
282K94.8Very high96.2Very high138 Ų13850.8 Ų50.860%0.626%0.258SS*.EExtended strand (participates in β ladder)trans-79.9125.5176.1-175.6-176.1175.5-175.10108.5F276 G277 K280 L284F276-K282 CarbonylContact C-O 3.59Å; F276-K282 VanDerWaalsContact CA-O 3.25Å; F276-K282 WeakPolarHBondContact CA-O 3.24Å; G277-K282 PolarHBondContact N-O 2.81Å; G277-K282 PolarHBondContact O-N 3.5Å; K280-K282 VanDerWaalsContact C-N 3.25Å; K280-K282 PolarHBondContact O-N 2.93Å; K282-L284 HydrophobicContact CD-CD2 4.35Å; K282-L284 HydrophobicContact CG-CD2 4.48Å; K282-L284 PolarHBondContact O-N 2.93Å
283P94.8Very high96.2Very high77 Ų7748.9 Ų48.950%0.525%0.254SS..EExtended strand (participates in β ladder)trans-60129.5170-19.832.1000110F276F276-P283 HydrophobicContact CD1-CB 4.29Å; F276-P283 HydrophobicContact CD1-CG 4.24Å; F276-P283 HydrophobicContact CE1-CB 4.24Å; F276-P283 HydrophobicContact CE1-CG 4.1Å
284L93.9Very high96.2Very high60 Ų6048.8 Ų48.831%0.31425%0.254SS..EExtended strand (participates in β ladder)trans-112-46.5-177.7-65.7-177.9000111.7I263 I275 G277 K282 Y325I263-L284 HydrophobicContact CG2-CD1 3.93Å; I275-L284 HydrophobicContact CG2-CB 4.34Å; I275-L284 HydrophobicContact CG2-CD1 4.43Å; I275-L284 PolarHBondContact O-N 2.86Å; G277-L284 VanDerWaalsContact N-CD1 3.31Å; K282-L284 HydrophobicContact CD-CD2 4.35Å; K282-L284 HydrophobicContact CG-CD2 4.48Å; K282-L284 PolarHBondContact O-N 2.93Å; L284-Y325 HydrophobicContact CB-CE2 3.8Å; L284-Y325 WeakPolarHBondContact CB-OH 3.34Å; L284-Y325 HydrophobicContact CD1-CD2 4.17Å; L284-Y325 HydrophobicContact CD1-CE2 3.76Å; L284-Y325 HydrophobicContact CG-CE2 4.4Å; L284-Y325 PolarHBondContact O-OH 2.88Å
285A93.4Very high96.3Very high22 Ų2249.5 Ų49.518%0.18226%0.258CS..EExtended strand (participates in β ladder)trans-152.6155.218000000111.4I275 L287I275-A285 HydrophobicContact CB-CB 4.27Å; I275-A285 HydrophobicContact CG1-CB 4.41Å; I275-A285 PolarHBondContact N-O 3.35Å; I275-A285 PolarHBondContact O-N 2.83Å; A285-L287 HydrophobicContact CB-CD2 4.22Å
286V95.2Very high96.4Very high74 Ų7449.5 Ų49.545%0.44826%0.258SS..EExtended strand (participates in β ladder)trans-121.6117.9165.5-178.50000106.2P5 R272 I273 R274P5-V286 VanDerWaalsContact CB-O 3.29Å; P5-V286 WeakPolarHBondContact CB-O 3.45Å; R272-V286 HydrophobicContact CB-CG1 3.97Å; R272-V286 HydrophobicContact CG-CG1 4.1Å; I273-V286 CarbonylContact O-C 3.59Å; I273-V286 WeakPolarHBondContact O-CA 3.32Å; R274-V286 HydrophobicContact CG-CG2 4.39Å
287L96.3Very high96.4Very high1 Ų149.5 Ų49.51%0.00526%0.259CS..EExtended strand (participates in β ladder)trans-91.5123.3179.5-39.8174.1000108.1P6 I273 I275 A285 L310 W322 I324P6-L287 HydrophobicContact CG-CD2 3.94Å; I273-L287 HydrophobicContact CB-CB 4.05Å; I273-L287 HydrophobicContact CB-CD1 4Å; I273-L287 HydrophobicContact CB-CG 4.21Å; I273-L287 HydrophobicContact CD1-CB 4.3Å; I273-L287 HydrophobicContact CD1-CD1 4.21Å; I273-L287 HydrophobicContact CG2-CD1 3.89Å; I273-L287 HydrophobicContact CG2-CG 4.45Å; I273-L287 PolarHBondContact N-O 2.78Å; I273-L287 PolarHBondContact O-N 3.34Å; I275-L287 HydrophobicContact CD1-CD1 4.33Å; I275-L287 HydrophobicContact CG1-CD1 4.27Å; I275-L287 HydrophobicContact CG1-CG 4.36Å; A285-L287 HydrophobicContact CB-CD2 4.22Å; L287-L310 HydrophobicContact CD1-CD2 4.03Å; L287-W322 HydrophobicContact CB-CH2 3.71Å; L287-W322 HydrophobicContact CB-CZ2 3.86Å; L287-W322 HydrophobicContact CB-CZ3 4.07Å; L287-W322 HydrophobicContact CD1-CD2 3.71Å; L287-W322 HydrophobicContact CD1-CE3 3.99Å; L287-W322 HydrophobicContact CD1-CG 4.08Å; L287-W322 HydrophobicContact CD1-CH2 4.44Å; L287-W322 HydrophobicContact CD1-CZ2 4.18Å; L287-W322 HydrophobicContact CD1-CZ3 4.34Å; L287-W322 HydrophobicContact CD2-CE3 4.22Å; L287-W322 HydrophobicContact CD2-CZ3 4.16Å; L287-W322 HydrophobicContact CG-CE3 4.48Å; L287-W322 HydrophobicContact CG-CH2 4.48Å; L287-W322 HydrophobicContact CG-CZ3 4.42Å; L287-I324 HydrophobicContact CD1-CD1 3.42Å; L287-I324 VanDerWaalsContact CD1-CD1 3.42Å; L287-I324 HydrophobicContact CD2-CD1 3.94Å; L287-I324 HydrophobicContact CG-CD1 4.28Å
288D95.8Very high96.5Very high71 Ų7149.6 Ų49.638%0.3826%0.257SS..  trans-123.882.8-171.1-176.2-1.9000109P5 R272P5-D288 HydrophobicContact CB-CB 4.33Å; P5-D288 HydrophobicContact CG-CB 3.84Å; R272-D288 IonicContact CZ-OD1 3.96Å; R272-D288 IonicContact CZ-OD2 2.7Å; R272-D288 IonicContact NE-OD1 3.47Å; R272-D288 IonicContact NE-OD2 2.71Å; R272-D288 PolarHBondContact NE-OD2 3.43Å; R272-D288 VanDerWaalsContact NH1-CG 3.33Å; R272-D288 IonicContact NH1-OD1 2.8Å; R272-D288 PolarHBondContact NH1-OD1 2.84Å; R272-D288 IonicContact NH1-OD2 3.5Å; R272-D288 IonicContact NH2-OD1 3.38Å; R272-D288 PolarHBondContact NH2-OD1 3.45Å; R272-D288 IonicContact NH2-OD2 2.94Å; R272-D288 PolarHBondContact NH2-OD2 2.96Å
289Y97.1Very high96.5Very high49 Ų4950.8 Ų50.819%0.19226%0.262CS..  trans-131.4-42.3-179.7172.4-97.3000112.3P8 V11 R13 R318P8-Y289 HydrophobicContact CG-CD1 3.88Å; P8-Y289 HydrophobicContact CG-CD2 3.57Å; P8-Y289 HydrophobicContact CG-CE1 4.28Å; P8-Y289 HydrophobicContact CG-CE2 4.01Å; P8-Y289 HydrophobicContact CG-CG 3.51Å; V11-Y289 HydrophobicContact CG1-CE1 4.21Å; V11-Y289 WeakPolarHBondContact CG1-OH 3.33Å; V11-Y289 HydrophobicContact CG2-CE1 3.9Å; V11-Y289 HydrophobicContact CG2-CE2 4.21Å; V11-Y289 WeakPolarHBondContact CG2-OH 3.33Å; R13-Y289 PolarHBondContact NH2-OH 2.83Å; Y289-R318 PolarHBondContact OH-NH1 2.83Å
290H98.2Very high96.6Very high4 Ų443.2 Ų43.22%0.01923%0.229CC..  trans-71.1144.2-177.5-73.6-68.8000112.1H271 V294 A312 S314 D316 S320H271-H290 WeakPolarHBondContact CB-O 3.37Å; H290-V294 HydrophobicContact CB-CG2 4.04Å; H290-A312 PolarHBondContact NE2-O 3.49Å; H290-S314 WeakPolarHBondContact ND1-CB 3.19Å; H290-D316 VanDerWaalsContact CA-OD2 3.29Å; H290-D316 WeakPolarHBondContact CA-OD2 3.12Å; H290-D316 WeakPolarHBondContact CB-OD2 3.32Å; H290-D316 IonicContact CE1-OD1 3.8Å; H290-D316 IonicContact CE1-OD2 2.63Å; H290-D316 IonicContact CG-OD2 2.99Å; H290-D316 IonicContact ND1-OD1 2.64Å; H290-D316 PolarHBondContact ND1-OD1 3.03Å; H290-D316 IonicContact ND1-OD2 3.7Å; H290-D316 PolarHBondContact ND1-OD2 2.82Å; H290-S320 PolarHBondContact NE2-OG 3.26Å
291T97.8Very high96.4Very high106 Ų10638.8 Ų38.865%0.6521%0.214SC*.SBendtrans-101.11.3-179.262.10000113D316T291-D316 PolarHBondContact N-OD2 2.81Å; T291-D316 VanDerWaalsContact N-OD2 3.12Å
292A98.5Very high96.1Very high20 Ų2039.5 Ų39.517%0.16522%0.217CC..SBendtrans-149172.8177.100000110.6H271 V294 S314 K315 D316H271-A292 WeakPolarHBondContact CA-O 3.5Å; H271-A292 VanDerWaalsContact CB-O 3.25Å; H271-A292 WeakPolarHBondContact CB-O 3.38Å; H271-A292 VanDerWaalsContact ND1-CA 3.33Å; H271-A292 WeakPolarHBondContact ND1-CA 3.24Å; H271-A292 PolarHBondContact ND1-O 2.86Å; A292-V294 PolarHBondContact O-N 2.89Å; A292-S314 PolarHBondContact O-OG 2.99Å; A292-K315 HydrophobicContact CB-CB 3.85Å; A292-K315 HydrophobicContact CB-CG 4.38Å; A292-D316 HydrophobicContact CB-CB 4.01Å
293T98.4Very high95.6Very high28 Ų2838.2 Ų38.217%0.17223%0.226CC..  trans-47.8129-174.6-62.90000112.1W269 H271 S314 K315W269-T293 HydrophobicContact CB-CG2 4.44Å; W269-T293 HydrophobicContact CG-CG2 4.35Å; W269-T293 PolarHBondContact O-OG1 3.15Å; H271-T293 PolarHBondContact ND1-N 3.32Å; T293-S314 WeakPolarHBondContact O-CA 3.43Å; T293-S314 PolarHBondContact O-OG 3.08Å; T293-K315 PolarHBondContact O-N 3.21Å
294V98.8Very high95.2Very high0 Ų037.5 Ų37.50%022%0.217CC..EExtended strand (participates in β ladder)trans-83.6120.9170.7-172.50000107.1S253 A267 G268 I273 H290 A292 V297 A312 G313S253-V294 WeakPolarHBondContact CB-O 3.14Å; S253-V294 PolarHBondContact OG-O 3.43Å; A267-V294 HydrophobicContact CB-CB 3.97Å; A267-V294 HydrophobicContact CB-CG1 3.61Å; G268-V294 PolarHBondContact O-N 3.15Å; G268-V294 VanDerWaalsContact O-N 3.13Å; I273-V294 HydrophobicContact CG1-CG1 4.16Å; I273-V294 HydrophobicContact CG1-CG2 4.16Å; H290-V294 HydrophobicContact CB-CG2 4.04Å; A292-V294 PolarHBondContact O-N 2.89Å; V294-V297 HydrophobicContact CG1-CG1 4.48Å; V294-A312 HydrophobicContact CG1-CB 4Å; V294-G313 WeakPolarHBondContact CG1-O 3.22Å
295H98.6Very high94.8Very high37 Ų3737.5 Ų37.517%0.17122%0.221CC..EExtended strand (participates in β ladder)trans-93.3-26.7-176.4-72.7-58.1000113.1V19 H20 R113 S253 G313V19-H295 WeakPolarHBondContact O-CB 3.08Å; H20-H295 AromaticContact CE1-CD2 3.87Å; H20-H295 AromaticContact CE1-NE2 3.73Å; H20-H295 AromaticContact ND1-CD2 3.45Å; H20-H295 PolarHBondContact ND1-CD2 2.77Å; H20-H295 AromaticContact ND1-CG 3.62Å; H20-H295 AromaticContact ND1-ND1 3.99Å; H20-H295 AromaticContact ND1-NE2 3.75Å; R113-H295 PolarHBondContact NH2-O 3.19Å; R113-H295 VanDerWaalsContact NH2-O 3.17Å; S253-H295 WeakPolarHBondContact CB-O 3.42Å; H295-G313 PolarHBondContact N-O 2.77Å
296C98.6Very high94.5Very high1 Ų139.1 Ų39.11%0.00723%0.231CC..EExtended strand (participates in β ladder)trans-151.6151.4-175.355.20000111.8H20 T21 D254 A312 G313H20-C296 VanDerWaalsContact C-SG 3.56Å; H20-C296 WeakPolarHBondContact O-CB 3.5Å; T21-C296 VanDerWaalsContact CA-SG 3.6Å; T21-C296 PolarHBondContact N-SG 3.2Å; D254-C296 WeakPolarHBondContact OD2-CA 3.23Å; C296-A312 WeakPolarHBondContact O-CA 3.43Å; C296-G313 PolarHBondContact N-O 2.75Å; C296-G313 PolarHBondContact O-N 2.98Å
297V98.7Very high94.3Very high6 Ų640.2 Ų40.24%0.03623%0.231CC..EExtended strand (participates in β ladder)trans-134.6143170.6-81.60000108.6D254 T256 A265 A267 I273 V294 L310 A311 A312D254-V297 HydrophobicContact CB-CG2 4.16Å; D254-V297 PolarHBondContact OD2-N 3.37Å; T256-V297 HydrophobicContact CG2-CB 4.15Å; T256-V297 HydrophobicContact CG2-CG2 3.76Å; A265-V297 HydrophobicContact CB-CB 4.4Å; A265-V297 HydrophobicContact CB-CG2 4.32Å; A267-V297 HydrophobicContact CB-CG1 4.04Å; A267-V297 HydrophobicContact CB-CG2 4.1Å; I273-V297 HydrophobicContact CG1-CG1 4.39Å; I273-V297 HydrophobicContact CG2-CG1 4.01Å; V294-V297 HydrophobicContact CG1-CG1 4.48Å; V297-L310 HydrophobicContact CB-CD1 4.19Å; V297-L310 HydrophobicContact CG1-CD1 4.43Å; V297-A311 CarbonylContact C-O 3.43Å; V297-A311 VanDerWaalsContact CA-O 3.3Å; V297-A311 WeakPolarHBondContact CA-O 3.44Å; V297-A312 HydrophobicContact CG1-CB 3.89Å
298S98.3Very high94Very high16 Ų1641.8 Ų41.811%0.11224%0.237CC..EExtended strand (participates in β ladder)trans-144.7136.3179-171.70000110.1F24 L310 A311F24-S298 WeakPolarHBondContact CE2-O 3.13Å; S298-L310 WeakPolarHBondContact O-CA 3.5Å; S298-A311 PolarHBondContact N-O 2.74Å; S298-A311 PolarHBondContact O-N 3.21Å
299F97.4Very high94Very high24 Ų2439.3 Ų39.311%0.10522%0.224CC..EExtended strand (participates in β ladder)trans-93.1139.4171.4-75.6-68.2000110T256 R258 I263 A265 L309 L310T256-F299 HydrophobicContact CG2-CD2 3.68Å; T256-F299 HydrophobicContact CG2-CE2 3.85Å; T256-F299 WeakPolarHBondContact O-CE2 3.19Å; R258-F299 VanDerWaalsContact CA-CD2 3.47Å; R258-F299 HydrophobicContact CB-CD1 4.2Å; R258-F299 HydrophobicContact CB-CD2 3.64Å; R258-F299 HydrophobicContact CB-CE1 4.28Å; R258-F299 HydrophobicContact CB-CE2 3.74Å; R258-F299 HydrophobicContact CB-CG 3.88Å; R258-F299 HydrophobicContact CB-CZ 4.07Å; R258-F299 HydrophobicContact CG-CB 4.14Å; R258-F299 HydrophobicContact CG-CD1 3.93Å; R258-F299 HydrophobicContact CG-CD2 4.11Å; R258-F299 HydrophobicContact CG-CE1 4.34Å; R258-F299 HydrophobicContact CG-CE2 4.5Å; R258-F299 HydrophobicContact CG-CG 3.8Å; I263-F299 HydrophobicContact CD1-CE1 3.71Å; I263-F299 HydrophobicContact CD1-CZ 3.71Å; I263-F299 HydrophobicContact CG1-CE1 4.19Å; I263-F299 HydrophobicContact CG1-CZ 3.8Å; A265-F299 HydrophobicContact CB-CE2 3.79Å; A265-F299 HydrophobicContact CB-CZ 3.69Å; F299-L309 WeakPolarHBondContact CA-O 3.45Å; F299-L310 HydrophobicContact CD1-CB 3.98Å; F299-L310 HydrophobicContact CD1-CD1 3.95Å; F299-L310 HydrophobicContact CE1-CB 3.87Å; F299-L310 HydrophobicContact CE1-CD1 3.77Å; F299-L310 HydrophobicContact CE1-CD2 4.44Å; F299-L310 HydrophobicContact CE1-CG 4.24Å; F299-L310 HydrophobicContact CE2-CD1 4.47Å; F299-L310 HydrophobicContact CG-CD1 4.37Å; F299-L310 HydrophobicContact CZ-CD1 4.05Å
300S95Very high94.1Very high2 Ų237.1 Ų37.11%0.01422%0.215CC..  trans-70.1150.8175.175.90000112.1H302 R308 L309S300-H302 WeakPolarHBondContact CB-ND1 3.29Å; S300-H302 PolarHBondContact OG-ND1 3.18Å; S300-H302 VanDerWaalsContact OG-ND1 3.08Å; S300-R308 WeakPolarHBondContact OG-CA 3.44Å; S300-L309 PolarHBondContact N-O 3.44Å; S300-L309 PolarHBondContact OG-N 2.81Å
301D89Confident94.1Very high74 Ų7436.9 Ų36.940%0.39622%0.215SC..  trans-91.314.5179.262-35.8000114C26 G27 S303C26-D301 WeakPolarHBondContact CA-OD1 3.49Å; C26-D301 WeakPolarHBondContact CB-OD1 3.27Å; C26-D301 PolarHBondContact N-OD1 2.63Å; C26-D301 PolarHBondContact N-OD2 3.3Å; C26-D301 PolarHBondContact SG-OD1 3.07Å; G27-D301 PolarHBondContact N-OD2 3.39Å; G27-D301 VanDerWaalsContact N-OD2 3.15Å; D301-S303 PolarHBondContact O-N 3.15Å
302H89.2Confident94.1Very high19 Ų1931.9 Ų31.99%0.08818%0.184CC..  trans-51129.9174.7-71.591.6000111.6C26 P34 S300 N304 E307 R308C26-H302 VanDerWaalsContact CB-CE1 3.47Å; C26-H302 WeakPolarHBondContact CB-CE1 3.38Å; C26-H302 PolarHBondContact SG-CE1 3Å; P34-H302 WeakPolarHBondContact CB-NE2 3.47Å; S300-H302 WeakPolarHBondContact CB-ND1 3.29Å; S300-H302 PolarHBondContact OG-ND1 3.18Å; S300-H302 VanDerWaalsContact OG-ND1 3.08Å; H302-N304 VanDerWaalsContact C-N 3.34Å; H302-E307 HydrophobicContact CB-CB 4.08Å; H302-E307 IonicContact CD2-OE2 3.15Å; H302-E307 PolarHBondContact ND1-O 3.22Å; H302-R308 HydrophobicContact CB-CG 4.36Å; H302-R308 PolarHBondContact O-NE 2.99Å
303S83.9Confident94.1Very high112 Ų11230.9 Ų30.978%0.78318%0.176SC*.SBendtrans-64.3-42177.357.70000110.8D301 P305D301-S303 PolarHBondContact O-N 3.15Å; S303-P305 WeakPolarHBondContact O-CD 3.43Å
304N87.4Confident94.2Very high61 Ų6129.6 Ų29.633%0.32617%0.168SC..SBendtrans-74.5117.3176.2-173.20.4000111.2H302 S306 E307H302-N304 VanDerWaalsContact C-N 3.34Å; N304-S306 VanDerWaalsContact CG-OG 3.26Å; N304-S306 PolarHBondContact ND2-OG 3.28Å; N304-S306 PolarHBondContact O-N 3.09Å; N304-S306 PolarHBondContact OD1-N 3.25Å; N304-S306 PolarHBondContact OD1-OG 3.37Å; N304-S306 VanDerWaalsContact OD1-OG 3.05Å; N304-E307 HydrophobicContact CB-CB 4.41Å; N304-E307 HydrophobicContact CB-CG 4.25Å; N304-E307 PolarHBondContact ND2-OE1 2.9Å; N304-E307 PolarHBondContact O-N 3.29Å; N304-E307 VanDerWaalsContact O-N 3.13Å
305P85.8Confident94.1Very high60 Ų6035.1 Ų35.139%0.3919%0.192SC..G310 helixtrans-57.3-31.9179.5-26.136.2000114.8S303 E307 R308 T326S303-P305 WeakPolarHBondContact O-CD 3.43Å; P305-E307 PolarHBondContact O-N 3.28Å; P305-R308 WeakPolarHBondContact O-CB 3.34Å; P305-R308 PolarHBondContact O-N 3.49Å; P305-T326 CarbonylContact C-O 3.53Å; P305-T326 WeakPolarHBondContact O-CB 3.33Å
306S87.6Confident94.1Very high57 Ų5734.4 Ų34.440%0.39919%0.189SC..G310 helixtrans-69.2-20.6-178.662.90000113.3N304N304-S306 VanDerWaalsContact CG-OG 3.26Å; N304-S306 PolarHBondContact ND2-OG 3.28Å; N304-S306 PolarHBondContact O-N 3.09Å; N304-S306 PolarHBondContact OD1-N 3.25Å; N304-S306 PolarHBondContact OD1-OG 3.37Å; N304-S306 VanDerWaalsContact OD1-OG 3.05Å
307E89.4Confident94.1Very high96 Ų9638.4 Ų38.445%0.44921%0.207SC..G310 helixtrans-96.8-0.7-179.5-67.7164.2-148.400112.4H302 N304 P305 L309H302-E307 HydrophobicContact CB-CB 4.08Å; H302-E307 IonicContact CD2-OE2 3.15Å; H302-E307 PolarHBondContact ND1-O 3.22Å; N304-E307 HydrophobicContact CB-CB 4.41Å; N304-E307 HydrophobicContact CB-CG 4.25Å; N304-E307 PolarHBondContact ND2-OE1 2.9Å; N304-E307 PolarHBondContact O-N 3.29Å; N304-E307 VanDerWaalsContact O-N 3.13Å; P305-E307 PolarHBondContact O-N 3.28Å; E307-L309 WeakPolarHBondContact O-CG 3.03Å; E307-L309 PolarHBondContact O-N 3.39Å
308R91.4Very high94.1Very high35 Ų3542 Ų4213%0.13222%0.22CC..  trans-68.1124.5-175.6-72.3177.8-177.2165-0.1111.5D260 S300 H302 P305 T326D260-R308 VanDerWaalsContact CB-NH1 3.32Å; D260-R308 IonicContact OD2-NH1 3.81Å; D260-R308 PolarHBondContact OD2-NH1 2.98Å; S300-R308 WeakPolarHBondContact OG-CA 3.44Å; H302-R308 HydrophobicContact CB-CG 4.36Å; H302-R308 PolarHBondContact O-NE 2.99Å; P305-R308 WeakPolarHBondContact O-CB 3.34Å; P305-R308 PolarHBondContact O-N 3.49Å; R308-T326 HydrophobicContact CB-CG2 4.24Å; R308-T326 WeakPolarHBondContact O-CG2 3.13Å
309L95.6Very high94.1Very high19 Ų1941.2 Ų41.210%0.09922%0.215CC..EExtended strand (participates in β ladder)trans-106.6156178.5-58.1172.8000110.9E9 F24 L50 F299 S300 E307 I321 W322E9-L309 WeakPolarHBondContact OE2-CD2 3.24Å; F24-L309 HydrophobicContact CE1-CB 4.31Å; F24-L309 HydrophobicContact CE1-CD1 4.47Å; F24-L309 HydrophobicContact CZ-CB 4.05Å; L50-L309 HydrophobicContact CD1-CD1 4.49Å; F299-L309 WeakPolarHBondContact CA-O 3.45Å; S300-L309 PolarHBondContact N-O 3.44Å; S300-L309 PolarHBondContact OG-N 2.81Å; E307-L309 WeakPolarHBondContact O-CG 3.03Å; E307-L309 PolarHBondContact O-N 3.39Å; L309-I321 HydrophobicContact CB-CG2 4.12Å; L309-I321 HydrophobicContact CD1-CG2 3.88Å; L309-I321 HydrophobicContact CD2-CG2 4.05Å; L309-I321 HydrophobicContact CG-CG2 4.22Å; L309-W322 CarbonylContact C-O 3.59Å; L309-W322 WeakPolarHBondContact CA-O 3.37Å
310L97.9Very high94.2Very high2 Ų240.1 Ų40.11%0.0121%0.21CC..EExtended strand (participates in β ladder)trans-111.4132.3159.7170.170000107.4A265 I273 I275 L287 V297 S298 F299 I321 W322 I324A265-L310 HydrophobicContact CB-CD1 3.88Å; A265-L310 HydrophobicContact CB-CD2 4.28Å; I273-L310 HydrophobicContact CG2-CD2 4.22Å; I275-L310 HydrophobicContact CD1-CD2 3.64Å; L287-L310 HydrophobicContact CD1-CD2 4.03Å; V297-L310 HydrophobicContact CB-CD1 4.19Å; V297-L310 HydrophobicContact CG1-CD1 4.43Å; S298-L310 WeakPolarHBondContact O-CA 3.5Å; F299-L310 HydrophobicContact CD1-CB 3.98Å; F299-L310 HydrophobicContact CD1-CD1 3.95Å; F299-L310 HydrophobicContact CE1-CB 3.87Å; F299-L310 HydrophobicContact CE1-CD1 3.77Å; F299-L310 HydrophobicContact CE1-CD2 4.44Å; F299-L310 HydrophobicContact CE1-CG 4.24Å; F299-L310 HydrophobicContact CE2-CD1 4.47Å; F299-L310 HydrophobicContact CG-CD1 4.37Å; F299-L310 HydrophobicContact CZ-CD1 4.05Å; L310-I321 CarbonylContact O-C 3.58Å; L310-I321 WeakPolarHBondContact O-CA 3.44Å; L310-W322 HydrophobicContact CB-CB 4.27Å; L310-W322 PolarHBondContact N-O 3.31Å; L310-W322 PolarHBondContact O-N 2.81Å; L310-I324 HydrophobicContact CD2-CD1 3.85Å
311A98.6Very high94.3Very high0 Ų040 Ų400%021%0.209CC..EExtended strand (participates in β ladder)trans-109.6145.9167.400000110.3L22 F24 L36 V297 S298 I319 S320 I321L22-A311 HydrophobicContact CD1-CB 3.8Å; F24-A311 HydrophobicContact CE2-CB 3.47Å; F24-A311 VanDerWaalsContact CE2-CB 3.47Å; F24-A311 HydrophobicContact CZ-CB 3.54Å; L36-A311 HydrophobicContact CD1-CB 4.33Å; L36-A311 HydrophobicContact CD2-CB 4.04Å; V297-A311 CarbonylContact C-O 3.43Å; V297-A311 VanDerWaalsContact CA-O 3.3Å; V297-A311 WeakPolarHBondContact CA-O 3.44Å; S298-A311 PolarHBondContact N-O 2.74Å; S298-A311 PolarHBondContact O-N 3.21Å; A311-I319 HydrophobicContact CB-CG2 4.19Å; A311-S320 CarbonylContact C-O 3.55Å; A311-S320 WeakPolarHBondContact CA-O 3.38Å; A311-I321 HydrophobicContact CB-CD1 3.47Å; A311-I321 VanDerWaalsContact CB-CD1 3.47Å
312A98.8Very high94.7Very high0 Ų036.7 Ų36.70%019%0.191CC..EExtended strand (participates in β ladder)trans-134.2130.8171.400000110.8I273 H290 V294 C296 V297 I319 S320I273-A312 HydrophobicContact CD1-CB 3.27Å; I273-A312 HydrophobicContact CG1-CB 3.89Å; H290-A312 PolarHBondContact NE2-O 3.49Å; V294-A312 HydrophobicContact CG1-CB 4Å; C296-A312 WeakPolarHBondContact O-CA 3.43Å; V297-A312 HydrophobicContact CG1-CB 3.89Å; A312-I319 CarbonylContact O-C 3.59Å; A312-I319 VanDerWaalsContact O-CA 3.24Å; A312-I319 WeakPolarHBondContact O-CA 3.15Å; A312-S320 PolarHBondContact N-O 3.15Å; A312-S320 PolarHBondContact O-N 2.97Å
313G98.7Very high94.9Very high0 Ų038.4 Ų38.40%021%0.206CC..EExtended strand (participates in β ladder)trans-109.8134.2-178.500000110.7V19 L22 V294 H295 C296V19-G313 CarbonylContact O-C 3.53Å; L22-G313 VanDerWaalsContact CD1-N 3.28Å; V294-G313 WeakPolarHBondContact CG1-O 3.22Å; H295-G313 PolarHBondContact N-O 2.77Å; C296-G313 PolarHBondContact N-O 2.75Å; C296-G313 PolarHBondContact O-N 2.98Å
314S98.8Very high95.1Very high0 Ų034 Ų340%017%0.173CC..EExtended strand (participates in β ladder)trans-129.5160.9-171.5173.30000113.3V19 H290 A292 T293 D316 H317 R318V19-S314 PolarHBondContact N-O 2.69Å; H290-S314 WeakPolarHBondContact ND1-CB 3.19Å; A292-S314 PolarHBondContact O-OG 2.99Å; T293-S314 WeakPolarHBondContact O-CA 3.43Å; T293-S314 PolarHBondContact O-OG 3.08Å; S314-D316 VanDerWaalsContact CB-OD1 3.26Å; S314-D316 WeakPolarHBondContact CB-OD1 3.43Å; S314-D316 PolarHBondContact O-N 3.37Å; S314-D316 VanDerWaalsContact OG-CG 3.3Å; S314-D316 PolarHBondContact OG-N 2.83Å; S314-D316 VanDerWaalsContact OG-N 3.12Å; S314-D316 PolarHBondContact OG-OD1 3.47Å; S314-H317 PolarHBondContact O-N 2.91Å; S314-R318 PolarHBondContact N-O 2.66Å
315K98.6Very high95Very high116 Ų11636.1 Ų36.150%0.50418%0.177SC..THydrogen-bonded Turntrans-60.6-15.2166.6-170.2171.1-179.2177.90113.3A18 A292 T293 H317A18-K315 HydrophobicContact CB-CB 4.4Å; A18-K315 HydrophobicContact CB-CG 4.26Å; A292-K315 HydrophobicContact CB-CB 3.85Å; A292-K315 HydrophobicContact CB-CG 4.38Å; T293-K315 PolarHBondContact O-N 3.21Å; K315-H317 PolarHBondContact O-CD2 2.87Å; K315-H317 PolarHBondContact O-N 2.85Å; K315-H317 PolarHBondContact O-NE2 3.45Å
316D98.4Very high94.6Very high23 Ų2334 Ų3412%0.12316%0.163CC..THydrogen-bonded Turntrans-79.57.6175.169.712.1000114.3H290 T291 A292 S314 R318H290-D316 VanDerWaalsContact CA-OD2 3.29Å; H290-D316 WeakPolarHBondContact CA-OD2 3.12Å; H290-D316 WeakPolarHBondContact CB-OD2 3.32Å; H290-D316 IonicContact CE1-OD1 3.8Å; H290-D316 IonicContact CE1-OD2 2.63Å; H290-D316 IonicContact CG-OD2 2.99Å; H290-D316 IonicContact ND1-OD1 2.64Å; H290-D316 PolarHBondContact ND1-OD1 3.03Å; H290-D316 IonicContact ND1-OD2 3.7Å; H290-D316 PolarHBondContact ND1-OD2 2.82Å; T291-D316 PolarHBondContact N-OD2 2.81Å; T291-D316 VanDerWaalsContact N-OD2 3.12Å; A292-D316 HydrophobicContact CB-CB 4.01Å; S314-D316 VanDerWaalsContact CB-OD1 3.26Å; S314-D316 WeakPolarHBondContact CB-OD1 3.43Å; S314-D316 PolarHBondContact O-N 3.37Å; S314-D316 VanDerWaalsContact OG-CG 3.3Å; S314-D316 PolarHBondContact OG-N 2.83Å; S314-D316 VanDerWaalsContact OG-N 3.12Å; S314-D316 PolarHBondContact OG-OD1 3.47Å; D316-R318 PolarHBondContact O-N 3.4Å; D316-R318 VanDerWaalsContact OD1-CB 3.26Å; D316-R318 WeakPolarHBondContact OD1-CB 3.21Å; D316-R318 PolarHBondContact OD1-N 2.73Å
317H98.1Very high93.5Very high84 Ų8439.1 Ų39.139%0.38918%0.181SC..SBendtrans67.919.3178.7-42.8168.5000113.8T15 A17 A18 S314 K315T15-H317 PolarHBondContact OG1-O 3.47Å; A17-H317 WeakPolarHBondContact O-CA 3.05Å; A17-H317 WeakPolarHBondContact O-CB 3.5Å; A18-H317 PolarHBondContact N-CD2 3.18Å; S314-H317 PolarHBondContact O-N 2.91Å; K315-H317 PolarHBondContact O-CD2 2.87Å; K315-H317 PolarHBondContact O-N 2.85Å; K315-H317 PolarHBondContact O-NE2 3.45Å
318R98.2Very high91.6Very high82 Ų8242.9 Ų42.931%0.30921%0.211SC..EExtended strand (participates in β ladder)trans-115.1153.4177.6-55.1178.3-176.2-164.13.4110.8V11 R13 Y289 S314 D316V11-R318 HydrophobicContact CG1-CB 4.11Å; R13-R318 VanDerWaalsContact NH2-NH1 3.19Å; Y289-R318 PolarHBondContact OH-NH1 2.83Å; S314-R318 PolarHBondContact N-O 2.66Å; D316-R318 PolarHBondContact O-N 3.4Å; D316-R318 VanDerWaalsContact OD1-CB 3.26Å; D316-R318 WeakPolarHBondContact OD1-CB 3.21Å; D316-R318 PolarHBondContact OD1-N 2.73Å
319I98.7Very high91.6Very high0 Ų043.3 Ų43.30%021%0.214CC..EExtended strand (participates in β ladder)trans-116.2118.8164.9-54.8164.5000107.2V11 L12 T15 V19 L22 L36 W48 A311 A312 I321V11-I319 WeakPolarHBondContact CA-O 3.29Å; L12-I319 HydrophobicContact CB-CB 4.17Å; L12-I319 HydrophobicContact CD1-CG2 4.48Å; L12-I319 PolarHBondContact N-O 2.97Å; L12-I319 PolarHBondContact O-N 3.44Å; T15-I319 HydrophobicContact CG2-CD1 4.39Å; V19-I319 HydrophobicContact CB-CG1 4.41Å; V19-I319 HydrophobicContact CG1-CD1 4.22Å; V19-I319 HydrophobicContact CG1-CG1 4.06Å; V19-I319 HydrophobicContact CG2-CD1 4.44Å; V19-I319 HydrophobicContact CG2-CG1 3.96Å; L22-I319 HydrophobicContact CD1-CG2 4.11Å; L22-I319 HydrophobicContact CD2-CD1 3.8Å; L22-I319 HydrophobicContact CD2-CG1 4.17Å; L22-I319 HydrophobicContact CD2-CG2 4.13Å; L36-I319 HydrophobicContact CD2-CG2 4.01Å; W48-I319 HydrophobicContact CZ2-CD1 3.9Å; A311-I319 HydrophobicContact CB-CG2 4.19Å; A312-I319 CarbonylContact O-C 3.59Å; A312-I319 VanDerWaalsContact O-CA 3.24Å; A312-I319 WeakPolarHBondContact O-CA 3.15Å; I319-I321 HydrophobicContact CG2-CD1 3.91Å
320S98.4Very high91.4Very high0 Ų044.5 Ų44.50%022%0.221CC..EExtended strand (participates in β ladder)trans-92.4135.1173.957.60000109.9H290 A311 A312 W322H290-S320 PolarHBondContact NE2-OG 3.26Å; A311-S320 CarbonylContact C-O 3.55Å; A311-S320 WeakPolarHBondContact CA-O 3.38Å; A312-S320 PolarHBondContact N-O 3.15Å; A312-S320 PolarHBondContact O-N 2.97Å; S320-W322 VanDerWaalsContact CB-NE1 3.32Å; S320-W322 PolarHBondContact OG-NE1 3.22Å
321I98.3Very high91.1Very high0 Ų046.9 Ų46.90%023%0.232CC..EExtended strand (participates in β ladder)trans-114.8135.9178.6-54.7-61.3000109.3P8 E9 F10 L12 L36 L309 L310 A311 I319P8-I321 CarbonylContact C-O 3.59Å; P8-I321 WeakPolarHBondContact CA-O 3.39Å; P8-I321 WeakPolarHBondContact CB-O 3.25Å; E9-I321 PolarHBondContact N-O 3.5Å; F10-I321 HydrophobicContact CD1-CB 4.25Å; F10-I321 HydrophobicContact CD1-CG2 4.27Å; F10-I321 HydrophobicContact CD2-CB 4.05Å; F10-I321 HydrophobicContact CD2-CG1 3.92Å; F10-I321 HydrophobicContact CE1-CB 4.01Å; F10-I321 HydrophobicContact CE1-CG2 3.63Å; F10-I321 HydrophobicContact CE2-CB 3.82Å; F10-I321 HydrophobicContact CE2-CG1 3.48Å; F10-I321 VanDerWaalsContact CE2-CG1 3.48Å; F10-I321 HydrophobicContact CE2-CG2 4.07Å; F10-I321 HydrophobicContact CG-CB 4.28Å; F10-I321 HydrophobicContact CZ-CB 3.8Å; F10-I321 HydrophobicContact CZ-CG1 3.85Å; F10-I321 HydrophobicContact CZ-CG2 3.52Å; F10-I321 PolarHBondContact N-O 3.37Å; F10-I321 PolarHBondContact O-N 2.8Å; L12-I321 HydrophobicContact CD1-CD1 4.25Å; L12-I321 HydrophobicContact CD1-CG1 4.24Å; L12-I321 HydrophobicContact CG-CG1 4.29Å; L36-I321 HydrophobicContact CD2-CD1 3.89Å; L309-I321 HydrophobicContact CB-CG2 4.12Å; L309-I321 HydrophobicContact CD1-CG2 3.88Å; L309-I321 HydrophobicContact CD2-CG2 4.05Å; L309-I321 HydrophobicContact CG-CG2 4.22Å; L310-I321 CarbonylContact O-C 3.58Å; L310-I321 WeakPolarHBondContact O-CA 3.44Å; A311-I321 HydrophobicContact CB-CD1 3.47Å; A311-I321 VanDerWaalsContact CB-CD1 3.47Å; I319-I321 HydrophobicContact CG2-CD1 3.91Å
322W97Very high90.6Very high4 Ų449.6 Ų49.62%0.01525%0.246CC..EExtended strand (participates in β ladder)trans-136.4135.2-171.1-46.680.7000111.6P6 P8 I273 L287 L309 L310 S320 I324P6-W322 VanDerWaalsContact O-CZ3 3.24Å; P6-W322 WeakPolarHBondContact O-CZ3 3.48Å; P8-W322 HydrophobicContact CB-CD2 4.25Å; P8-W322 HydrophobicContact CB-CE3 4.29Å; P8-W322 HydrophobicContact CB-CH2 4.22Å; P8-W322 HydrophobicContact CB-CZ2 4.19Å; P8-W322 HydrophobicContact CB-CZ3 4.26Å; P8-W322 HydrophobicContact CG-CE3 4.47Å; P8-W322 HydrophobicContact CG-CH2 3.55Å; P8-W322 HydrophobicContact CG-CZ2 3.66Å; P8-W322 HydrophobicContact CG-CZ3 3.98Å; I273-W322 HydrophobicContact CD1-CZ2 4.25Å; L287-W322 HydrophobicContact CB-CH2 3.71Å; L287-W322 HydrophobicContact CB-CZ2 3.86Å; L287-W322 HydrophobicContact CB-CZ3 4.07Å; L287-W322 HydrophobicContact CD1-CD2 3.71Å; L287-W322 HydrophobicContact CD1-CE3 3.99Å; L287-W322 HydrophobicContact CD1-CG 4.08Å; L287-W322 HydrophobicContact CD1-CH2 4.44Å; L287-W322 HydrophobicContact CD1-CZ2 4.18Å; L287-W322 HydrophobicContact CD1-CZ3 4.34Å; L287-W322 HydrophobicContact CD2-CE3 4.22Å; L287-W322 HydrophobicContact CD2-CZ3 4.16Å; L287-W322 HydrophobicContact CG-CE3 4.48Å; L287-W322 HydrophobicContact CG-CH2 4.48Å; L287-W322 HydrophobicContact CG-CZ3 4.42Å; L309-W322 CarbonylContact C-O 3.59Å; L309-W322 WeakPolarHBondContact CA-O 3.37Å; L310-W322 HydrophobicContact CB-CB 4.27Å; L310-W322 PolarHBondContact N-O 3.31Å; L310-W322 PolarHBondContact O-N 2.81Å; S320-W322 VanDerWaalsContact CB-NE1 3.32Å; S320-W322 PolarHBondContact OG-NE1 3.22Å; W322-I324 HydrophobicContact CB-CD1 3.65Å; W322-I324 HydrophobicContact CB-CG1 3.55Å; W322-I324 HydrophobicContact CG-CD1 4.17Å
323S93.7Very high90.1Very high56 Ų5652.8 Ų52.839%0.39226%0.261SS..EExtended strand (participates in β ladder)trans-98105.4163.2178.10000108.7E9 T326E9-S323 WeakPolarHBondContact OE2-CB 3.23Å; S323-T326 VanDerWaalsContact OG-CG2 3.3Å; S323-T326 WeakPolarHBondContact OG-CG2 3.11Å; S323-T326 PolarHBondContact OG-OG1 3.33Å
324I88.5Confident89.5Confident20 Ų2056.3 Ų56.310%0.10328%0.279CS..  trans-128.9124.1-174.3-41.7-178.3000110.2R258 I275 L287 L310 W322 T326R258-I324 PolarHBondContact NH1-O 3.43Å; I275-I324 HydrophobicContact CD1-CD1 4.37Å; I275-I324 HydrophobicContact CG1-CD1 4.21Å; L287-I324 HydrophobicContact CD1-CD1 3.42Å; L287-I324 VanDerWaalsContact CD1-CD1 3.42Å; L287-I324 HydrophobicContact CD2-CD1 3.94Å; L287-I324 HydrophobicContact CG-CD1 4.28Å; L310-I324 HydrophobicContact CD2-CD1 3.85Å; W322-I324 HydrophobicContact CB-CD1 3.65Å; W322-I324 HydrophobicContact CB-CG1 3.55Å; W322-I324 HydrophobicContact CG-CD1 4.17Å; I324-T326 PolarHBondContact O-N 2.67Å
325Y84.6Confident88.9Confident104 Ų10460.3 Ų60.341%0.40830%0.299SS..SBendtrans50.444.8179.1-54.2-64.8000112.2R258 I263 I275 L284R258-Y325 PolarHBondContact NH1-O 2.97Å; R258-Y325 PolarHBondContact NH2-O 3.44Å; R258-Y325 VanDerWaalsContact NH2-O 3.11Å; I263-Y325 HydrophobicContact CD1-CD2 4.35Å; I263-Y325 HydrophobicContact CG2-CD2 4.17Å; I275-Y325 HydrophobicContact CG2-CD2 4.29Å; I275-Y325 HydrophobicContact CG2-CE2 4.03Å; L284-Y325 HydrophobicContact CB-CE2 3.8Å; L284-Y325 WeakPolarHBondContact CB-OH 3.34Å; L284-Y325 HydrophobicContact CD1-CD2 4.17Å; L284-Y325 HydrophobicContact CD1-CE2 3.76Å; L284-Y325 HydrophobicContact CG-CE2 4.4Å; L284-Y325 PolarHBondContact O-OH 2.88Å
326T76.6Confident88.1Confident16 Ų1656 Ų5610%0.09828%0.283CS..  trans-88.2-27.6179.746.50000112.5P305 R308 S323 I324P305-T326 CarbonylContact C-O 3.53Å; P305-T326 WeakPolarHBondContact O-CB 3.33Å; R308-T326 HydrophobicContact CB-CG2 4.24Å; R308-T326 WeakPolarHBondContact O-CG2 3.13Å; S323-T326 VanDerWaalsContact OG-CG2 3.3Å; S323-T326 WeakPolarHBondContact OG-CG2 3.11Å; S323-T326 PolarHBondContact OG-OG1 3.33Å; I324-T326 PolarHBondContact O-N 2.67Å
327Q64.6Low87.3Confident165 Ų16558.8 Ų58.877%0.77130%0.296SS*.  trans-100.2117.4172.4-60.2174.63.500107.5
328T50.7Low86.3Confident174 Ų17456.5 Ų56.5100%1.06729%0.288SS*.  trans-96.60158.243.50000108.7

Retrieved 328 of 328 residues in 382.3 ms (Link to these results)

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