A0A087XRI3_POEFO Loading...

Phosphomannomutase

Involved in the synthesis of the GDP-mannose and dolichol-phosphate-mannose required for a number of critical mannosyl transfer reactions.

AlphaFold DB , UniProt , Accession A0A087XRI3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 250 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
1M41.8Very low75Confident242 Ų24289.9 Ų89.9100%1.19251%0.508SS*.  097.10-69.1177.9175.600106.3Q3M1-Q3 PolarHBondContact O-N 3.41Å
2S44.3Very low77Confident106 Ų10682.4 Ų82.474%0.74147%0.466SS*.  trans-59.4125.3177.440.70000108.2N4S2-N4 PolarHBondContact O-N 3.5Å
3Q47.8Very low78.7Confident177 Ų17776.1 Ų76.183%0.82743%0.43SS*.  trans-61.2106165.2-72.6177-14.600105.9M1 T5M1-Q3 PolarHBondContact O-N 3.41Å; Q3-T5 PolarHBondContact O-N 3.34Å
4N58.2Low80.1Confident106 Ų10670.6 Ų70.657%0.56740%0.399SS*.  trans-67.489.8169.5-1034.8000106.6S2 R41S2-N4 PolarHBondContact O-N 3.5Å; N4-R41 PolarHBondContact ND2-NH1 2.98Å
5T72.6Confident81.3Confident119 Ų11966.2 Ų66.273%0.7337%0.374SS*.  trans-65.9129.4168.347.20000107.7Q3 D7Q3-T5 PolarHBondContact O-N 3.34Å; T5-D7 PolarHBondContact O-N 3.16Å
6A83.5Confident82.3Confident35 Ų3562.3 Ų62.329%0.28935%0.352SS..  trans-51.3135.3175.600000110.4T8 T40 R41A6-T8 PolarHBondContact O-N 3.07Å; A6-T8 VanDerWaalsContact O-N 3.17Å; A6-T40 WeakPolarHBondContact CA-O 3.26Å; A6-T40 WeakPolarHBondContact CB-O 3.34Å; A6-R41 CarbonylContact C-O 3.56Å
7D92.2Very high83Confident63 Ų6360.9 Ų60.934%0.33734%0.343SS..  trans-66.8112.6168176.814.7000108.5T5 S9 T10 R41 V42T5-D7 PolarHBondContact O-N 3.16Å; D7-S9 WeakPolarHBondContact OD1-CA 3.35Å; D7-S9 WeakPolarHBondContact OD1-CB 3.34Å; D7-S9 PolarHBondContact OD1-N 3.4Å; D7-S9 PolarHBondContact OD1-OG 3.48Å; D7-T10 VanDerWaalsContact OD2-CB 3.22Å; D7-T10 WeakPolarHBondContact OD2-CB 3.42Å; D7-T10 PolarHBondContact OD2-OG1 3.37Å; D7-R41 PolarHBondContact N-O 3.16Å; D7-V42 HydrophobicContact CB-CG1 4.44Å; D7-V42 WeakPolarHBondContact O-CA 3.48Å
8T92.5Very high83.7Confident84 Ų8458.1 Ų58.152%0.51533%0.331SS..SBendtrans-90.6-5.2-179.856.10000112.9A6 Y204A6-T8 PolarHBondContact O-N 3.07Å; A6-T8 VanDerWaalsContact O-N 3.17Å; T8-Y204 VanDerWaalsContact O-CE1 3.32Å; T8-Y204 WeakPolarHBondContact O-CE1 3.46Å
9S96.1Very high84.5Confident45 Ų4555.1 Ų55.132%0.31531%0.313SS..SBendtrans-91.8-9.2178.474.10000113.6D7 Y204 S205 T206D7-S9 WeakPolarHBondContact OD1-CA 3.35Å; D7-S9 WeakPolarHBondContact OD1-CB 3.34Å; D7-S9 PolarHBondContact OD1-N 3.4Å; D7-S9 PolarHBondContact OD1-OG 3.48Å; S9-Y204 CarbonylContact O-C 3.55Å; S9-Y204 WeakPolarHBondContact O-CA 3.39Å; S9-S205 PolarHBondContact O-N 3.16Å; S9-T206 PolarHBondContact O-N 3.08Å
10T97.9Very high85.1Confident12 Ų1252.4 Ų52.47%0.07430%0.298CS..EExtended strand (participates in β ladder)trans-110.8134.7176.2-60.20000111.4D7 V42 R43 T206 F248D7-T10 VanDerWaalsContact OD2-CB 3.22Å; D7-T10 WeakPolarHBondContact OD2-CB 3.42Å; D7-T10 PolarHBondContact OD2-OG1 3.37Å; T10-V42 HydrophobicContact CG2-CB 4.4Å; T10-V42 HydrophobicContact CG2-CG1 4Å; T10-R43 WeakPolarHBondContact O-CB 3.39Å; T10-R43 PolarHBondContact O-N 3.3Å; T10-T206 WeakPolarHBondContact CA-O 3.4Å; T10-F248 HydrophobicContact CG2-CE1 4.1Å
11L98.5Very high85.6Confident0 Ų050 Ų500%028%0.284CS..EExtended strand (participates in β ladder)trans-119.3130.6173.4173.564.3000110.2L13 R43 Y69 V199 Y204 T206 I207 H208L11-L13 HydrophobicContact CD1-CD2 4.19Å; L11-L13 HydrophobicContact CD2-CD1 4.22Å; L11-L13 HydrophobicContact CD2-CD2 3.85Å; L11-L13 HydrophobicContact CD2-CG 3.85Å; L11-L13 HydrophobicContact CG-CD2 4.07Å; L11-L13 HydrophobicContact CG-CG 3.99Å; L11-R43 HydrophobicContact CB-CB 4.42Å; L11-R43 HydrophobicContact CD1-CB 3.77Å; L11-Y69 HydrophobicContact CD1-CD2 3.95Å; L11-Y69 HydrophobicContact CD1-CE2 4.21Å; L11-Y69 HydrophobicContact CD2-CD2 4.39Å; L11-Y69 HydrophobicContact CD2-CE2 4.39Å; L11-V199 HydrophobicContact CD2-CB 4.03Å; L11-V199 HydrophobicContact CD2-CG1 3.81Å; L11-V199 HydrophobicContact CD2-CG2 4.41Å; L11-Y204 HydrophobicContact CB-CD1 3.84Å; L11-Y204 HydrophobicContact CB-CD2 4.03Å; L11-Y204 HydrophobicContact CB-CE1 4Å; L11-Y204 HydrophobicContact CB-CE2 4.17Å; L11-Y204 HydrophobicContact CB-CG 3.88Å; L11-Y204 HydrophobicContact CD2-CD2 3.96Å; L11-Y204 HydrophobicContact CD2-CE2 3.84Å; L11-T206 PolarHBondContact N-O 2.63Å; L11-I207 HydrophobicContact CD2-CG2 4.4Å; L11-I207 CarbonylContact O-C 3.57Å; L11-I207 WeakPolarHBondContact O-CA 3.31Å; L11-H208 PolarHBondContact O-N 2.84Å
12C98.7Very high88Confident0 Ų041.1 Ų41.10%025%0.249CC..EExtended strand (participates in β ladder)trans-102.2116165.5-65.30000109.8F14 R43 V44 G45 H208 F210 F248C12-F14 HydrophobicContact CB-CD2 4.42Å; C12-F14 HydrophobicContact CB-CE2 3.42Å; C12-F14 VanDerWaalsContact CB-CE2 3.42Å; C12-F14 HydrophobicContact CB-CZ 3.55Å; C12-F14 WeakPolarHBondContact O-CE2 3.3Å; C12-R43 PolarHBondContact N-O 3.5Å; C12-V44 WeakPolarHBondContact O-CA 3.37Å; C12-G45 PolarHBondContact O-N 3.33Å; C12-H208 CarbonylContact C-O 3.54Å; C12-H208 WeakPolarHBondContact CA-O 3.37Å; C12-F210 HydrophobicContact CB-CE2 4.12Å; C12-F248 WeakPolarHBondContact SG-CE2 3.27Å; C12-F248 WeakPolarHBondContact SG-CZ 3.47Å
13L98.7Very high89.9Confident0 Ų039.3 Ų39.30%024%0.241CC..EExtended strand (participates in β ladder)trans-99.3134.4171.2-69-179.8000110L11 G45 F71 L196 I207 H208 F209 F210L11-L13 HydrophobicContact CD1-CD2 4.19Å; L11-L13 HydrophobicContact CD2-CD1 4.22Å; L11-L13 HydrophobicContact CD2-CD2 3.85Å; L11-L13 HydrophobicContact CD2-CG 3.85Å; L11-L13 HydrophobicContact CG-CD2 4.07Å; L11-L13 HydrophobicContact CG-CG 3.99Å; L13-G45 WeakPolarHBondContact CA-O 3.41Å; L13-F71 HydrophobicContact CD2-CD2 4.35Å; L13-F71 HydrophobicContact CD2-CE2 4.02Å; L13-L196 HydrophobicContact CD1-CD2 3.97Å; L13-I207 HydrophobicContact CD1-CG2 3.84Å; L13-I207 HydrophobicContact CG-CG2 4.16Å; L13-H208 PolarHBondContact N-O 2.95Å; L13-F209 HydrophobicContact CB-CD2 4.1Å; L13-F209 CarbonylContact O-C 3.54Å; L13-F209 WeakPolarHBondContact O-CA 2.9Å; L13-F210 PolarHBondContact O-N 3.35Å
14F98.8Very high91.4Very high0 Ų040.1 Ų40.10%024%0.237CC..EExtended strand (participates in β ladder)trans-122.9133.1-178.9-59-88.2000110.3C12 T19 L20 L35 L38 V44 G45 V46 V47 F210 T240C12-F14 HydrophobicContact CB-CD2 4.42Å; C12-F14 HydrophobicContact CB-CE2 3.42Å; C12-F14 VanDerWaalsContact CB-CE2 3.42Å; C12-F14 HydrophobicContact CB-CZ 3.55Å; C12-F14 WeakPolarHBondContact O-CE2 3.3Å; F14-T19 HydrophobicContact CB-CG2 4.46Å; F14-L20 HydrophobicContact CB-CD1 3.62Å; F14-L20 HydrophobicContact CB-CD2 4.05Å; F14-L20 HydrophobicContact CB-CG 3.8Å; F14-L20 HydrophobicContact CD1-CD2 3.85Å; F14-L20 HydrophobicContact CD1-CG 4.49Å; F14-L20 HydrophobicContact CG-CD1 4.2Å; F14-L20 HydrophobicContact CG-CD2 3.96Å; F14-L20 HydrophobicContact CG-CG 4.27Å; F14-L35 HydrophobicContact CE2-CD2 4.35Å; F14-L38 HydrophobicContact CE2-CD2 4.03Å; F14-L38 HydrophobicContact CZ-CD2 3.59Å; F14-V44 HydrophobicContact CD2-CG1 4.18Å; F14-V44 HydrophobicContact CE2-CG1 3.96Å; F14-G45 WeakPolarHBondContact CD2-O 3.34Å; F14-G45 PolarHBondContact N-O 3.11Å; F14-V46 CarbonylContact O-C 3.59Å; F14-V46 WeakPolarHBondContact O-CA 3.38Å; F14-V47 PolarHBondContact O-N 2.91Å; F14-F210 HydrophobicContact CD1-CB 3.67Å; F14-F210 AromaticContact CD1-CD2 3.66Å; F14-F210 HydrophobicContact CD1-CD2 3.66Å; F14-F210 AromaticContact CD1-CG 3.8Å; F14-F210 HydrophobicContact CD1-CG 3.8Å; F14-F210 HydrophobicContact CE1-CB 4.05Å; F14-F210 HydrophobicContact CE1-CD1 4.33Å; F14-F210 AromaticContact CE1-CD2 3.28Å; F14-F210 HydrophobicContact CE1-CD2 3.28Å; F14-F210 AromaticContact CE1-CE2 3.76Å; F14-F210 HydrophobicContact CE1-CE2 3.76Å; F14-F210 AromaticContact CE1-CG 3.64Å; F14-F210 HydrophobicContact CE1-CG 3.64Å; F14-F210 HydrophobicContact CE1-CZ 4.46Å; F14-F210 HydrophobicContact CG-CD2 4.48Å; F14-F210 AromaticContact CZ-CD2 3.87Å; F14-F210 HydrophobicContact CZ-CD2 3.87Å; F14-F210 AromaticContact CZ-CE2 3.98Å; F14-F210 HydrophobicContact CZ-CE2 3.98Å; F14-T240 HydrophobicContact CD1-CG2 3.69Å; F14-T240 HydrophobicContact CE1-CG2 3.61Å
15D98.5Very high92.9Very high4 Ų440.6 Ų40.62%0.02124%0.235CC..  trans-59.7162.9152.4169.865.9000110.7D17 T19 L20 V47 K192 F209 F210D15-D17 PolarHBondContact OD2-N 2.95Å; D15-T19 HydrophobicContact CB-CG2 4.24Å; D15-T19 WeakPolarHBondContact CB-OG1 3.35Å; D15-T19 VanDerWaalsContact O-CB 3.31Å; D15-T19 WeakPolarHBondContact O-CB 3.36Å; D15-T19 WeakPolarHBondContact O-CG2 3.31Å; D15-T19 WeakPolarHBondContact OD2-CB 3.22Å; D15-T19 PolarHBondContact OD2-OG1 3.45Å; D15-L20 WeakPolarHBondContact O-CG 3.4Å; D15-V47 WeakPolarHBondContact CA-O 3.43Å; D15-K192 IonicContact OD1-NZ 2.84Å; D15-K192 PolarHBondContact OD1-NZ 3.35Å; D15-F209 HydrophobicContact CB-CZ 4.21Å; D15-F210 PolarHBondContact N-O 2.78Å
16V97.4Very high94Very high4 Ų438.6 Ų38.62%0.02423%0.226CC..SBendtrans-98.7-60.3-177.5-175.10000111.9G18 T19 L20 T21 V46 Q58 L59V16-G18 PolarHBondContact O-N 3.49Å; V16-T19 PolarHBondContact O-N 2.91Å; V16-L20 PolarHBondContact O-N 3.3Å; V16-T21 PolarHBondContact O-N 3.46Å; V16-V46 HydrophobicContact CG2-CB 4.48Å; V16-Q58 HydrophobicContact CG1-CB 4.1Å; V16-L59 HydrophobicContact CG1-CD1 4.25Å; V16-L59 HydrophobicContact CG1-CD2 4.24Å; V16-L59 HydrophobicContact CG1-CG 4.15Å; V16-L59 HydrophobicContact CG2-CD1 4.23Å
17D94.3Very high94.6Very high38 Ų3838 Ų3820%0.20322%0.219CC..BIsolated β-bridgetrans-83.9107.7-166.2-102.2-33.2000111.7D15 T19 R24 Q58D15-D17 PolarHBondContact OD2-N 2.95Å; D17-T19 VanDerWaalsContact C-N 3.28Å; D17-R24 PolarHBondContact OD1-N 3.37Å; D17-Q58 PolarHBondContact OD1-NE2 3.49Å
18G94.8Very high94.8Very high11 Ų1138 Ų3811%0.11322%0.221CC..THydrogen-bonded Turntrans94.9-22-174.300000112.8V16 T21V16-G18 PolarHBondContact O-N 3.49Å; G18-T21 CarbonylContact C-O 3.59Å; G18-T21 VanDerWaalsContact CA-O 3.23Å; G18-T21 WeakPolarHBondContact CA-O 3.17Å; G18-T21 PolarHBondContact N-O 2.86Å
19T98.2Very high95Very high0 Ų038.7 Ų38.70%023%0.228CC..THydrogen-bonded Turntrans-97.2-49.5-178.6-57.30000113.1F14 D15 V16 D17 F210 G211 D212 V234 P237 T240F14-T19 HydrophobicContact CB-CG2 4.46Å; D15-T19 HydrophobicContact CB-CG2 4.24Å; D15-T19 WeakPolarHBondContact CB-OG1 3.35Å; D15-T19 VanDerWaalsContact O-CB 3.31Å; D15-T19 WeakPolarHBondContact O-CB 3.36Å; D15-T19 WeakPolarHBondContact O-CG2 3.31Å; D15-T19 WeakPolarHBondContact OD2-CB 3.22Å; D15-T19 PolarHBondContact OD2-OG1 3.45Å; V16-T19 PolarHBondContact O-N 2.91Å; D17-T19 VanDerWaalsContact C-N 3.28Å; T19-F210 HydrophobicContact CG2-CB 4.04Å; T19-F210 WeakPolarHBondContact CG2-O 3.19Å; T19-G211 WeakPolarHBondContact OG1-CA 3.44Å; T19-D212 PolarHBondContact OG1-N 2.61Å; T19-V234 HydrophobicContact CG2-CG2 4Å; T19-P237 WeakPolarHBondContact O-CA 3.49Å; T19-T240 HydrophobicContact CG2-CG2 4.45Å; T19-T240 WeakPolarHBondContact O-CB 3.46Å; T19-T240 PolarHBondContact O-OG1 3.41Å
20L97.9Very high95.1Very high1 Ų142.6 Ų42.61%0.00524%0.241CC..THydrogen-bonded Turntrans-108.7-26.7177.8-69.9-178.7000112.7F14 D15 V16 M31 L35 V46 L59 T240F14-L20 HydrophobicContact CB-CD1 3.62Å; F14-L20 HydrophobicContact CB-CD2 4.05Å; F14-L20 HydrophobicContact CB-CG 3.8Å; F14-L20 HydrophobicContact CD1-CD2 3.85Å; F14-L20 HydrophobicContact CD1-CG 4.49Å; F14-L20 HydrophobicContact CG-CD1 4.2Å; F14-L20 HydrophobicContact CG-CD2 3.96Å; F14-L20 HydrophobicContact CG-CG 4.27Å; D15-L20 WeakPolarHBondContact O-CG 3.4Å; V16-L20 PolarHBondContact O-N 3.3Å; L20-M31 HydrophobicContact CD2-SD 4.11Å; L20-L35 HydrophobicContact CD1-CD1 4.1Å; L20-L35 HydrophobicContact CD2-CD1 4.15Å; L20-L35 HydrophobicContact CD2-CD2 3.91Å; L20-L35 HydrophobicContact CD2-CG 4.48Å; L20-V46 HydrophobicContact CD1-CG1 3.74Å; L20-L59 HydrophobicContact CB-CD2 4.27Å; L20-L59 HydrophobicContact CD1-CD1 4.39Å; L20-L59 HydrophobicContact CD1-CD2 4.33Å; L20-T240 HydrophobicContact CD2-CG2 4.2Å
21T95.3Very high95Very high2 Ų242.1 Ų42.11%0.01224%0.238CC..BIsolated β-bridgetrans-127.3158.8176.472.70000109.8V16 G18 Q25 V27 Q58 L59V16-T21 PolarHBondContact O-N 3.46Å; G18-T21 CarbonylContact C-O 3.59Å; G18-T21 VanDerWaalsContact CA-O 3.23Å; G18-T21 WeakPolarHBondContact CA-O 3.17Å; G18-T21 PolarHBondContact N-O 2.86Å; T21-Q25 WeakPolarHBondContact CB-O 3.27Å; T21-Q25 PolarHBondContact OG1-O 3.42Å; T21-V27 HydrophobicContact CG2-CB 3.8Å; T21-V27 HydrophobicContact CG2-CG2 4.33Å; T21-Q58 HydrophobicContact CG2-CB 4.29Å; T21-Q58 PolarHBondContact OG1-NE2 3.45Å; T21-L59 HydrophobicContact CG2-CD2 3.81Å
22A91.9Very high94.9Very high56 Ų5644.8 Ų44.846%0.46325%0.249SC..SBendtrans-59.8152.3159.600000109.5R24 Q25A22-R24 PolarHBondContact O-N 3.48Å; A22-R24 VanDerWaalsContact O-N 3.14Å; A22-Q25 HydrophobicContact CB-CB 4.05Å; A22-Q25 HydrophobicContact CB-CG 3.93Å; A22-Q25 WeakPolarHBondContact O-CB 3.27Å; A22-Q25 PolarHBondContact O-N 3.39Å
23A84.4Confident94.8Very high69 Ų6947.4 Ų47.457%0.5727%0.271SS*.THydrogen-bonded Turntrans-54.8120.7-173.600000112.3Q25A23-Q25 PolarHBondContact O-N 2.84Å
24R79.3Confident94.8Very high193 Ų19348 Ų4873%0.72827%0.274SS*.THydrogen-bonded Turntrans5822.3-177.7-53.2178.4179.1171.20.7114.7D17 A22D17-R24 PolarHBondContact OD1-N 3.37Å; A22-R24 PolarHBondContact O-N 3.48Å; A22-R24 VanDerWaalsContact O-N 3.14Å
25Q90Very high94.8Very high116 Ų11649.3 Ų49.354%0.54228%0.28SS..SBendtrans-106.2163.8174.3-58.1-56.5-57.700110.6T21 A22 A23 Q58T21-Q25 WeakPolarHBondContact CB-O 3.27Å; T21-Q25 PolarHBondContact OG1-O 3.42Å; A22-Q25 HydrophobicContact CB-CB 4.05Å; A22-Q25 HydrophobicContact CB-CG 3.93Å; A22-Q25 WeakPolarHBondContact O-CB 3.27Å; A22-Q25 PolarHBondContact O-N 3.39Å; A23-Q25 PolarHBondContact O-N 2.84Å; Q25-Q58 PolarHBondContact O-NE2 2.88Å
26S94.6Very high94.7Very high77 Ų7753 Ų5354%0.53830%0.298SS..PPolyproline II helixtrans-74.4152.3171-57.70000111.6E57 Q58S26-E57 PolarHBondContact OG-O 3.44Å; S26-E57 VanDerWaalsContact OG-O 3.08Å; S26-Q58 CarbonylContact C-O 3.52Å; S26-Q58 WeakPolarHBondContact CA-O 3.39Å
27V96.4Very high94.6Very high24 Ų2458.6 Ų58.615%0.14532%0.322CS..PPolyproline II helixtrans-62.3142.1175.370.60000110.4T21 M31 K32 Q58 L59T21-V27 HydrophobicContact CG2-CB 3.8Å; T21-V27 HydrophobicContact CG2-CG2 4.33Å; V27-M31 HydrophobicContact CG2-CB 3.76Å; V27-M31 HydrophobicContact CG2-CG 3.67Å; V27-K32 HydrophobicContact CG1-CB 4.37Å; V27-Q58 WeakPolarHBondContact CB-O 3.29Å; V27-Q58 WeakPolarHBondContact CG1-O 3.31Å; V27-Q58 PolarHBondContact N-O 3.32Å; V27-L59 HydrophobicContact CB-CD2 4.03Å; V27-L59 HydrophobicContact CG2-CD2 4.3Å
28T97.2Very high94.8Very high62 Ų6256.8 Ų56.838%0.3831%0.312SS..PPolyproline II helixtrans-74.1150.617565.20000110.5E30 M31 K32T28-E30 WeakPolarHBondContact CB-OE2 3.38Å; T28-E30 PolarHBondContact O-N 2.86Å; T28-M31 PolarHBondContact O-N 2.91Å; T28-M31 WeakPolarHBondContact OG1-CB 3.38Å; T28-M31 PolarHBondContact OG1-N 3.35Å; T28-K32 PolarHBondContact O-N 2.95Å
29P96.4Very high94.9Very high99 Ų9959.6 Ų59.664%0.64332%0.319SS*.Hα-helixtrans-54.2-35.8173.1-26.635.6000113K32 A33P29-K32 PolarHBondContact O-N 3.45Å; P29-A33 WeakPolarHBondContact O-CB 3.44Å; P29-A33 PolarHBondContact O-N 2.65Å
30E97.1Very high94.8Very high126 Ų12663.5 Ų63.559%0.58934%0.343SS*.Hα-helixtrans-65-48.7179-63.173.9-161.600111.6T28 K32 A33 F34T28-E30 WeakPolarHBondContact CB-OE2 3.38Å; T28-E30 PolarHBondContact O-N 2.86Å; E30-K32 VanDerWaalsContact C-N 3.34Å; E30-K32 PolarHBondContact O-N 2.73Å; E30-A33 PolarHBondContact O-N 2.83Å; E30-F34 WeakPolarHBondContact O-CB 3.46Å; E30-F34 PolarHBondContact O-N 3.04Å
31M97.5Very high94.7Very high2 Ų267.3 Ų67.31%0.0136%0.357CS..Hα-helixtrans-65.2-39.5177176.956.375.500111.1L20 V27 T28 A33 F34 L35 P237 Q241L20-M31 HydrophobicContact CD2-SD 4.11Å; V27-M31 HydrophobicContact CG2-CB 3.76Å; V27-M31 HydrophobicContact CG2-CG 3.67Å; T28-M31 PolarHBondContact O-N 2.91Å; T28-M31 WeakPolarHBondContact OG1-CB 3.38Å; T28-M31 PolarHBondContact OG1-N 3.35Å; M31-A33 PolarHBondContact O-N 2.97Å; M31-F34 WeakPolarHBondContact O-CB 3.49Å; M31-F34 PolarHBondContact O-N 3.44Å; M31-F34 VanDerWaalsContact O-N 3.17Å; M31-F34 HydrophobicContact SD-CD1 3.95Å; M31-L35 HydrophobicContact CG-CD1 4.37Å; M31-L35 HydrophobicContact CG-CG 4.48Å; M31-L35 WeakPolarHBondContact O-CG 3.44Å; M31-L35 PolarHBondContact O-N 2.98Å; M31-L35 HydrophobicContact SD-CD1 4.49Å; M31-L35 HydrophobicContact SD-CD2 4.4Å; M31-L35 HydrophobicContact SD-CG 4.07Å; M31-P237 HydrophobicContact CE-CB 3.82Å; M31-P237 WeakPolarHBondContact CE-O 3.28Å; M31-Q241 HydrophobicContact CE-CB 3.93Å
32K96.3Very high94.8Very high56 Ų5667.4 Ų67.424%0.24336%0.358CS..Hα-helixtrans-59.9-48.5176.1-172.1171.8-174.21680111.7V27 T28 P29 E30 F34 L35 E36 D62V27-K32 HydrophobicContact CG1-CB 4.37Å; T28-K32 PolarHBondContact O-N 2.95Å; P29-K32 PolarHBondContact O-N 3.45Å; E30-K32 VanDerWaalsContact C-N 3.34Å; E30-K32 PolarHBondContact O-N 2.73Å; K32-F34 VanDerWaalsContact C-N 3.27Å; K32-F34 PolarHBondContact O-N 2.64Å; K32-L35 PolarHBondContact O-N 3.42Å; K32-E36 WeakPolarHBondContact O-CG 3.18Å; K32-E36 PolarHBondContact O-N 3.15Å; K32-E36 VanDerWaalsContact O-N 3.17Å; K32-D62 VanDerWaalsContact NZ-CG 3.3Å; K32-D62 IonicContact NZ-OD1 3.03Å; K32-D62 PolarHBondContact NZ-OD1 2.94Å; K32-D62 IonicContact NZ-OD2 2.75Å; K32-D62 PolarHBondContact NZ-OD2 3.33Å
33A96.9Very high95.1Very high56 Ų5668.2 Ų68.246%0.46335%0.349SS..Hα-helixtrans-63-35.4175.900000111.9P29 E30 M31 K37P29-A33 WeakPolarHBondContact O-CB 3.44Å; P29-A33 PolarHBondContact O-N 2.65Å; E30-A33 PolarHBondContact O-N 2.83Å; M31-A33 PolarHBondContact O-N 2.97Å; A33-K37 WeakPolarHBondContact O-CB 3.32Å; A33-K37 PolarHBondContact O-N 3.32Å
34F97.9Very high95.8Very high13 Ų1365 Ų656%0.05732%0.323CS..Hα-helixtrans-64.8-46.8175.6177-104.7000112.6E30 M31 K32 E36 K37 L38 Q241 C244 Q245 F249E30-F34 WeakPolarHBondContact O-CB 3.46Å; E30-F34 PolarHBondContact O-N 3.04Å; M31-F34 WeakPolarHBondContact O-CB 3.49Å; M31-F34 PolarHBondContact O-N 3.44Å; M31-F34 VanDerWaalsContact O-N 3.17Å; M31-F34 HydrophobicContact SD-CD1 3.95Å; K32-F34 VanDerWaalsContact C-N 3.27Å; K32-F34 PolarHBondContact O-N 2.64Å; F34-E36 VanDerWaalsContact C-N 3.32Å; F34-E36 PolarHBondContact O-N 3.27Å; F34-K37 CarbonylContact O-C 3.55Å; F34-K37 WeakPolarHBondContact O-CA 3.42Å; F34-K37 WeakPolarHBondContact O-CB 3.39Å; F34-K37 PolarHBondContact O-N 3.21Å; F34-K37 VanDerWaalsContact O-N 3.12Å; F34-L38 HydrophobicContact CE1-CD2 4.38Å; F34-L38 WeakPolarHBondContact O-CB 3.34Å; F34-L38 PolarHBondContact O-N 2.9Å; F34-Q241 HydrophobicContact CD1-CB 4.15Å; F34-Q241 HydrophobicContact CD1-CG 3.88Å; F34-Q241 HydrophobicContact CD2-CG 3.83Å; F34-Q241 HydrophobicContact CE1-CB 4.18Å; F34-Q241 HydrophobicContact CE1-CG 4.03Å; F34-Q241 HydrophobicContact CE2-CG 3.99Å; F34-Q241 HydrophobicContact CG-CG 3.78Å; F34-Q241 HydrophobicContact CZ-CG 4.08Å; F34-C244 HydrophobicContact CE1-CB 3.67Å; F34-C244 HydrophobicContact CZ-CB 3.41Å; F34-C244 VanDerWaalsContact CZ-CB 3.41Å; F34-Q245 HydrophobicContact CE2-CG 3.65Å; F34-Q245 HydrophobicContact CZ-CG 4.14Å; F34-F249 HydrophobicContact CE2-CD2 4.4Å; F34-F249 AromaticContact CE2-CE2 3.87Å; F34-F249 HydrophobicContact CE2-CE2 3.87Å; F34-F249 HydrophobicContact CZ-CE2 4.16Å
35L97.6Very high96.7Very high26 Ų2655.9 Ų55.914%0.13629%0.288CS..Hα-helixtrans-61.3-40.5177.8-69.6173.9000112F14 L20 M31 K32 K37 L38 R39 V44F14-L35 HydrophobicContact CE2-CD2 4.35Å; L20-L35 HydrophobicContact CD1-CD1 4.1Å; L20-L35 HydrophobicContact CD2-CD1 4.15Å; L20-L35 HydrophobicContact CD2-CD2 3.91Å; L20-L35 HydrophobicContact CD2-CG 4.48Å; M31-L35 HydrophobicContact CG-CD1 4.37Å; M31-L35 HydrophobicContact CG-CG 4.48Å; M31-L35 WeakPolarHBondContact O-CG 3.44Å; M31-L35 PolarHBondContact O-N 2.98Å; M31-L35 HydrophobicContact SD-CD1 4.49Å; M31-L35 HydrophobicContact SD-CD2 4.4Å; M31-L35 HydrophobicContact SD-CG 4.07Å; K32-L35 PolarHBondContact O-N 3.42Å; L35-K37 VanDerWaalsContact C-N 3.33Å; L35-K37 PolarHBondContact O-N 3.44Å; L35-L38 PolarHBondContact O-N 2.91Å; L35-R39 WeakPolarHBondContact O-CB 3.46Å; L35-R39 PolarHBondContact O-N 3.5Å; L35-V44 HydrophobicContact CD2-CG1 4.46Å
36E96.4Very high97.1Very high82 Ų8250.4 Ų50.438%0.38326%0.262SS..Hα-helixtrans-60.7-43.2173.5-71.3175.8-16700111.5K32 F34 R39 K66K32-E36 WeakPolarHBondContact O-CG 3.18Å; K32-E36 PolarHBondContact O-N 3.15Å; K32-E36 VanDerWaalsContact O-N 3.17Å; F34-E36 VanDerWaalsContact C-N 3.32Å; F34-E36 PolarHBondContact O-N 3.27Å; E36-R39 PolarHBondContact O-N 2.86Å; E36-K66 HydrophobicContact CG-CD 4.32Å; E36-K66 VanDerWaalsContact OE1-CD 3.24Å; E36-K66 WeakPolarHBondContact OE1-CD 3.37Å; E36-K66 WeakPolarHBondContact OE1-CE 3.35Å; E36-K66 IonicContact OE1-NZ 3.75Å; E36-K66 PolarHBondContact OE1-NZ 2.8Å
37K97.1Very high97.3Very high121 Ų12146.7 Ų46.753%0.52624%0.237SC..Hα-helixtrans-64.9-43175.2-170.6-174175.6-176.90111.5A33 F34 L35 R39 T40 F249A33-K37 WeakPolarHBondContact O-CB 3.32Å; A33-K37 PolarHBondContact O-N 3.32Å; F34-K37 CarbonylContact O-C 3.55Å; F34-K37 WeakPolarHBondContact O-CA 3.42Å; F34-K37 WeakPolarHBondContact O-CB 3.39Å; F34-K37 PolarHBondContact O-N 3.21Å; F34-K37 VanDerWaalsContact O-N 3.12Å; L35-K37 VanDerWaalsContact C-N 3.33Å; L35-K37 PolarHBondContact O-N 3.44Å; K37-R39 VanDerWaalsContact C-N 3.27Å; K37-R39 PolarHBondContact O-N 3.28Å; K37-T40 WeakPolarHBondContact O-CB 3.47Å; K37-T40 PolarHBondContact O-N 3.35Å; K37-T40 VanDerWaalsContact O-N 3.1Å; K37-T40 PolarHBondContact O-OG1 2.84Å; K37-F249 HydrophobicContact CB-CZ 4.42Å; K37-F249 HydrophobicContact CD-CE1 3.99Å; K37-F249 HydrophobicContact CD-CZ 4.18Å; K37-F249 HydrophobicContact CG-CE1 3.75Å; K37-F249 HydrophobicContact CG-CZ 3.83Å
38L97.6Very high97.2Very high0 Ų045.8 Ų45.80%023%0.232CC..Hα-helixtrans-60.3-39.1177.1-179.763.8000111.4F14 F34 L35 T40 R41 V42 V44 C244 F248 F249F14-L38 HydrophobicContact CE2-CD2 4.03Å; F14-L38 HydrophobicContact CZ-CD2 3.59Å; F34-L38 HydrophobicContact CE1-CD2 4.38Å; F34-L38 WeakPolarHBondContact O-CB 3.34Å; F34-L38 PolarHBondContact O-N 2.9Å; L35-L38 PolarHBondContact O-N 2.91Å; L38-T40 PolarHBondContact O-N 3.4Å; L38-T40 VanDerWaalsContact O-N 3.15Å; L38-R41 WeakPolarHBondContact O-CA 3.29Å; L38-R41 WeakPolarHBondContact O-CB 3.45Å; L38-R41 PolarHBondContact O-N 3.28Å; L38-V42 HydrophobicContact CD1-CG2 3.7Å; L38-V42 HydrophobicContact CG-CG2 3.9Å; L38-V42 PolarHBondContact O-N 3.18Å; L38-V44 HydrophobicContact CB-CG2 4.35Å; L38-V44 HydrophobicContact CD2-CG2 3.97Å; L38-V44 HydrophobicContact CG-CG2 3.91Å; L38-C244 HydrophobicContact CD1-CB 4.42Å; L38-C244 HydrophobicContact CD2-CB 4.29Å; L38-F248 HydrophobicContact CD1-CB 3.98Å; L38-F248 HydrophobicContact CD1-CD2 3.6Å; L38-F248 HydrophobicContact CD1-CE2 4.41Å; L38-F248 HydrophobicContact CD1-CG 4Å; L38-F249 HydrophobicContact CB-CE2 4.34Å; L38-F249 HydrophobicContact CB-CZ 4.4Å; L38-F249 HydrophobicContact CD1-CE2 3.79Å; L38-F249 HydrophobicContact CD1-CZ 4.39Å
39R96.3Very high97Very high71 Ų7144.9 Ų44.927%0.26824%0.235SC..Hα-helixtrans-63.2-19.2176.7-167174.2176.7-153.80.2114.1L35 E36 K37 R41 V42 V44 Q65 K66 D68L35-R39 WeakPolarHBondContact O-CB 3.46Å; L35-R39 PolarHBondContact O-N 3.5Å; E36-R39 PolarHBondContact O-N 2.86Å; K37-R39 VanDerWaalsContact C-N 3.27Å; K37-R39 PolarHBondContact O-N 3.28Å; R39-R41 PolarHBondContact O-N 2.94Å; R39-V42 CarbonylContact C-O 3.48Å; R39-V42 VanDerWaalsContact CA-O 3.3Å; R39-V42 WeakPolarHBondContact CA-O 3.36Å; R39-V44 HydrophobicContact CB-CB 4.49Å; R39-V44 HydrophobicContact CB-CG2 4.08Å; R39-Q65 PolarHBondContact NH1-O 3.06Å; R39-K66 WeakPolarHBondContact CD-O 3.46Å; R39-K66 PolarHBondContact NH1-O 3.05Å; R39-D68 IonicContact CZ-OD1 2.98Å; R39-D68 IonicContact NE-OD1 2.77Å; R39-D68 PolarHBondContact NE-OD1 3.18Å; R39-D68 IonicContact NE-OD2 2.78Å; R39-D68 PolarHBondContact NE-OD2 2.88Å; R39-D68 IonicContact NH2-OD1 2.63Å; R39-D68 PolarHBondContact NH2-OD1 3.25Å
40T96Very high96.7Very high82 Ų8242.1 Ų42.150%0.50322%0.218SC..THydrogen-bonded Turntrans-76.1-12.3170.673.60000113.3A6 K37 L38A6-T40 WeakPolarHBondContact CA-O 3.26Å; A6-T40 WeakPolarHBondContact CB-O 3.34Å; K37-T40 WeakPolarHBondContact O-CB 3.47Å; K37-T40 PolarHBondContact O-N 3.35Å; K37-T40 VanDerWaalsContact O-N 3.1Å; K37-T40 PolarHBondContact O-OG1 2.84Å; L38-T40 PolarHBondContact O-N 3.4Å; L38-T40 VanDerWaalsContact O-N 3.15Å
41R96.9Very high96.5Very high80 Ų8039.7 Ų39.730%0.30221%0.209SC..THydrogen-bonded Turntrans-107.7-42.2-179.3-61.3-55.5-169.1108.6-1.9112.8N4 A6 D7 L38 R39 F248 F249N4-R41 PolarHBondContact ND2-NH1 2.98Å; A6-R41 CarbonylContact C-O 3.56Å; D7-R41 PolarHBondContact N-O 3.16Å; L38-R41 WeakPolarHBondContact O-CA 3.29Å; L38-R41 WeakPolarHBondContact O-CB 3.45Å; L38-R41 PolarHBondContact O-N 3.28Å; R39-R41 PolarHBondContact O-N 2.94Å; R41-F248 HydrophobicContact CB-CB 4.45Å; R41-F248 PolarHBondContact NH1-O 2.95Å; R41-F249 HydrophobicContact CG-CD1 4.05Å; R41-F249 HydrophobicContact CG-CE1 3.47Å; R41-F249 VanDerWaalsContact CG-CE1 3.47Å; R41-F249 HydrophobicContact CG-CE2 4.46Å; R41-F249 HydrophobicContact CG-CZ 3.75Å
42V97.7Very high96.3Very high4 Ų440.9 Ų40.92%0.02422%0.216CC..SBendtrans-142.2169.7-177.2-650000110.8D7 T10 L38 R39 F248D7-V42 HydrophobicContact CB-CG1 4.44Å; D7-V42 WeakPolarHBondContact O-CA 3.48Å; T10-V42 HydrophobicContact CG2-CB 4.4Å; T10-V42 HydrophobicContact CG2-CG1 4Å; L38-V42 HydrophobicContact CD1-CG2 3.7Å; L38-V42 HydrophobicContact CG-CG2 3.9Å; L38-V42 PolarHBondContact O-N 3.18Å; R39-V42 CarbonylContact C-O 3.48Å; R39-V42 VanDerWaalsContact CA-O 3.3Å; R39-V42 WeakPolarHBondContact CA-O 3.36Å; V42-F248 HydrophobicContact CG1-CD1 3.63Å; V42-F248 HydrophobicContact CG1-CE1 3.85Å; V42-F248 HydrophobicContact CG1-CG 4.28Å
43R97.8Very high96.3Very high73 Ų7341.9 Ų41.928%0.27523%0.23SC..EExtended strand (participates in β ladder)trans-72.6143.7169.8-62-62.1-176.3179.6-4.7110.7T10 L11 C12 D68 Y204T10-R43 WeakPolarHBondContact O-CB 3.39Å; T10-R43 PolarHBondContact O-N 3.3Å; L11-R43 HydrophobicContact CB-CB 4.42Å; L11-R43 HydrophobicContact CD1-CB 3.77Å; C12-R43 PolarHBondContact N-O 3.5Å; R43-D68 WeakPolarHBondContact CA-OD2 3.36Å; R43-D68 HydrophobicContact CB-CB 4.45Å; R43-D68 VanDerWaalsContact CD-CG 3.48Å; R43-D68 WeakPolarHBondContact CD-OD2 3.37Å; R43-D68 IonicContact CZ-OD1 3.26Å; R43-D68 IonicContact NH1-OD1 3.61Å; R43-D68 PolarHBondContact NH1-OD1 3.05Å; R43-Y204 HydrophobicContact CB-CE1 4.15Å; R43-Y204 HydrophobicContact CG-CE1 3.84Å
44V98.2Very high96Very high3 Ų342.5 Ų42.52%0.01822%0.222CC..EExtended strand (participates in β ladder)trans-125.2129.3-178.1172.70000109.9C12 F14 L35 L38 R39 D68 Y69C12-V44 WeakPolarHBondContact O-CA 3.37Å; F14-V44 HydrophobicContact CD2-CG1 4.18Å; F14-V44 HydrophobicContact CE2-CG1 3.96Å; L35-V44 HydrophobicContact CD2-CG1 4.46Å; L38-V44 HydrophobicContact CB-CG2 4.35Å; L38-V44 HydrophobicContact CD2-CG2 3.97Å; L38-V44 HydrophobicContact CG-CG2 3.91Å; R39-V44 HydrophobicContact CB-CB 4.49Å; R39-V44 HydrophobicContact CB-CG2 4.08Å; V44-D68 PolarHBondContact N-OD2 3.21Å; V44-D68 WeakPolarHBondContact O-CA 3.34Å; V44-D68 WeakPolarHBondContact O-CB 3.49Å; V44-D68 PolarHBondContact O-N 3.22Å; V44-Y69 PolarHBondContact O-N 3.21Å
45G98.4Very high95.9Very high0 Ų042 Ų420%022%0.22CC..EExtended strand (participates in β ladder)trans-134.2155.7172.400000112.1C12 L13 F14 Y69C12-G45 PolarHBondContact O-N 3.33Å; L13-G45 WeakPolarHBondContact CA-O 3.41Å; F14-G45 WeakPolarHBondContact CD2-O 3.34Å; F14-G45 PolarHBondContact N-O 3.11Å; G45-Y69 VanDerWaalsContact CA-O 3.23Å; G45-Y69 WeakPolarHBondContact CA-O 3.45Å
46V98.5Very high95.9Very high1 Ų143.6 Ų43.61%0.00623%0.225CC..EExtended strand (participates in β ladder)trans-120.5143.3175.3-58.80000110.2F14 V16 L20 I55 L59 V63 Y69 V70 F71F14-V46 CarbonylContact O-C 3.59Å; F14-V46 WeakPolarHBondContact O-CA 3.38Å; V16-V46 HydrophobicContact CG2-CB 4.48Å; L20-V46 HydrophobicContact CD1-CG1 3.74Å; V46-I55 HydrophobicContact CG2-CG2 4.49Å; V46-L59 HydrophobicContact CB-CD1 4.16Å; V46-L59 HydrophobicContact CG1-CD1 3.87Å; V46-L59 HydrophobicContact CG2-CD1 4.05Å; V46-V63 HydrophobicContact CG2-CG2 4.32Å; V46-Y69 PolarHBondContact N-O 2.85Å; V46-V70 HydrophobicContact CG2-CB 4.19Å; V46-V70 HydrophobicContact CG2-CG1 3.9Å; V46-V70 HydrophobicContact CG2-CG2 4.05Å; V46-F71 WeakPolarHBondContact O-CB 3.07Å; V46-F71 PolarHBondContact O-N 3.21Å
47V98.5Very high95.8Very high0 Ų044.8 Ų44.80%023%0.231CC..EExtended strand (participates in β ladder)trans-133.8121.8177.358.60000110.8F14 D15 F71 K192 C195 F209 I223F14-V47 PolarHBondContact O-N 2.91Å; D15-V47 WeakPolarHBondContact CA-O 3.43Å; V47-F71 WeakPolarHBondContact CA-O 3.37Å; V47-F71 HydrophobicContact CB-CB 3.95Å; V47-F71 HydrophobicContact CB-CD2 4.34Å; V47-F71 HydrophobicContact CG2-CB 3.88Å; V47-K192 HydrophobicContact CG1-CD 4.29Å; V47-K192 HydrophobicContact CG2-CB 4.32Å; V47-K192 HydrophobicContact CG2-CD 4.42Å; V47-K192 HydrophobicContact CG2-CG 4.01Å; V47-C195 HydrophobicContact CG2-CB 4.33Å; V47-F209 HydrophobicContact CG1-CE2 3.88Å; V47-I223 HydrophobicContact CG1-CD1 4.38Å
48G95.5Very high95.7Very high4 Ų439.1 Ų39.14%0.04121%0.207CC..  trans-135.4148.2179.200000111.7S50 F71 A72 E73 N74G48-S50 PolarHBondContact O-N 3.34Å; G48-F71 PolarHBondContact N-O 2.74Å; G48-A72 CarbonylContact O-C 3.29Å; G48-E73 PolarHBondContact O-N 3.1Å; G48-N74 PolarHBondContact O-N 2.69Å
49G92.3Very high95.7Very high44 Ų4439.7 Ų39.745%0.45421%0.209SC..SBendtrans-75.5-11.7173.900000113.9N74G49-N74 WeakPolarHBondContact CA-OD1 3.28Å; G49-N74 PolarHBondContact N-OD1 2.66Å
50S90.1Very high95.6Very high41 Ų4137.3 Ų37.329%0.28721%0.207SC..SBendtrans-77.8162.6176.8-570000111.9G48 E73G48-S50 PolarHBondContact O-N 3.34Å; S50-E73 PolarHBondContact O-N 2.79Å
51D92.4Very high95.6Very high74 Ų7439.7 Ų39.740%0.39622%0.217SC..  trans-65.9168.2170.573.90.2000111.9S53 K54 I55D51-S53 VanDerWaalsContact CG-OG 3.23Å; D51-S53 PolarHBondContact O-N 3.3Å; D51-S53 PolarHBondContact OD1-N 3.21Å; D51-S53 PolarHBondContact OD1-OG 3.31Å; D51-S53 PolarHBondContact OD2-OG 3.17Å; D51-K54 PolarHBondContact O-N 3.45Å; D51-K54 WeakPolarHBondContact OD1-CB 3.34Å; D51-K54 PolarHBondContact OD1-N 3.47Å; D51-I55 PolarHBondContact O-N 2.56Å
52L95Very high95.5Very high28 Ų2838.3 Ų38.315%0.14722%0.215CC..Hα-helixtrans-62.1-34.3-179.5-178.468.3000112.3K54 I55 K56 I64 V70 A72 Y79L52-K54 VanDerWaalsContact C-N 3.3Å; L52-K54 PolarHBondContact O-N 3.38Å; L52-I55 PolarHBondContact O-N 3.47Å; L52-K56 HydrophobicContact CG-CD 4.29Å; L52-K56 HydrophobicContact CG-CG 4.45Å; L52-K56 WeakPolarHBondContact O-CG 3.41Å; L52-K56 PolarHBondContact O-N 3.37Å; L52-I64 HydrophobicContact CD1-CD1 4.12Å; L52-I64 HydrophobicContact CD1-CG1 4.3Å; L52-I64 HydrophobicContact CD2-CD1 4.1Å; L52-V70 HydrophobicContact CD1-CG1 4.03Å; L52-A72 HydrophobicContact CB-CB 4.09Å; L52-Y79 HydrophobicContact CD1-CD2 4.29Å; L52-Y79 HydrophobicContact CD1-CE2 3.98Å; L52-Y79 HydrophobicContact CD2-CE2 3.55Å; L52-Y79 WeakPolarHBondContact CD2-OH 3.35Å; L52-Y79 HydrophobicContact CG-CE2 4.33Å
53S94.8Very high95.5Very high77 Ų7738.4 Ų38.454%0.53822%0.216SC..Hα-helixtrans-63-41.3-178.176.40000110.9D51 K56 E57D51-S53 VanDerWaalsContact CG-OG 3.23Å; D51-S53 PolarHBondContact O-N 3.3Å; D51-S53 PolarHBondContact OD1-N 3.21Å; D51-S53 PolarHBondContact OD1-OG 3.31Å; D51-S53 PolarHBondContact OD2-OG 3.17Å; S53-K56 PolarHBondContact O-N 3.4Å; S53-E57 PolarHBondContact O-N 2.83Å
54K91.8Very high95.4Very high69 Ų6935.7 Ų35.730%0.321%0.207SC..Hα-helixtrans-71-40177-158.666.9-174.5167.60112.8D51 L52 K56 E57 Q58D51-K54 PolarHBondContact O-N 3.45Å; D51-K54 WeakPolarHBondContact OD1-CB 3.34Å; D51-K54 PolarHBondContact OD1-N 3.47Å; L52-K54 VanDerWaalsContact C-N 3.3Å; L52-K54 PolarHBondContact O-N 3.38Å; K54-K56 VanDerWaalsContact C-N 3.26Å; K54-K56 PolarHBondContact O-N 2.88Å; K54-E57 WeakPolarHBondContact CD-OE2 3.22Å; K54-E57 IonicContact NZ-OE1 2.64Å; K54-E57 PolarHBondContact NZ-OE1 3.49Å; K54-E57 IonicContact NZ-OE2 2.65Å; K54-E57 PolarHBondContact NZ-OE2 3.46Å; K54-E57 WeakPolarHBondContact O-CB 3.33Å; K54-E57 PolarHBondContact O-N 2.78Å; K54-Q58 WeakPolarHBondContact O-CG 3.48Å; K54-Q58 PolarHBondContact O-N 3.1Å; K54-Q58 VanDerWaalsContact O-N 3.11Å
55I96Very high95.4Very high1 Ų141.2 Ų41.21%0.00523%0.232CC..Hα-helixtrans-59.6-39.8173.9-68.1171.7000110.8V46 D51 L52 Q58 L59 V63 V70 A72V46-I55 HydrophobicContact CG2-CG2 4.49Å; D51-I55 PolarHBondContact O-N 2.56Å; L52-I55 PolarHBondContact O-N 3.47Å; I55-Q58 PolarHBondContact O-N 3.2Å; I55-L59 HydrophobicContact CG2-CD1 4.08Å; I55-L59 WeakPolarHBondContact O-CB 3.49Å; I55-L59 PolarHBondContact O-N 3.07Å; I55-V63 HydrophobicContact CG2-CG1 4.48Å; I55-V70 HydrophobicContact CG2-CG1 4.2Å; I55-A72 HydrophobicContact CD1-CB 3.77Å
56K96.6Very high95.3Very high60 Ų6044.6 Ų44.626%0.26125%0.247SC..Hα-helixtrans-66.9-39.3175.3-75.6179173.2-172.50113.3L52 S53 K54 Q58 G60 V63L52-K56 HydrophobicContact CG-CD 4.29Å; L52-K56 HydrophobicContact CG-CG 4.45Å; L52-K56 WeakPolarHBondContact O-CG 3.41Å; L52-K56 PolarHBondContact O-N 3.37Å; S53-K56 PolarHBondContact O-N 3.4Å; K54-K56 VanDerWaalsContact C-N 3.26Å; K54-K56 PolarHBondContact O-N 2.88Å; K56-Q58 PolarHBondContact O-N 3.01Å; K56-G60 CarbonylContact O-C 3.24Å; K56-G60 VanDerWaalsContact O-C 3.24Å; K56-G60 WeakPolarHBondContact O-CA 3.35Å; K56-G60 PolarHBondContact O-N 2.82Å; K56-V63 HydrophobicContact CG-CG1 3.97Å
57E94.6Very high95.2Very high107 Ų10745 Ų4550%0.525%0.25SS..Hα-helixtrans-58.8-34.8173.9-172.7-172.9143.800111.5S26 S53 K54S26-E57 PolarHBondContact OG-O 3.44Å; S26-E57 VanDerWaalsContact OG-O 3.08Å; S53-E57 PolarHBondContact O-N 2.83Å; K54-E57 WeakPolarHBondContact CD-OE2 3.22Å; K54-E57 IonicContact NZ-OE1 2.64Å; K54-E57 PolarHBondContact NZ-OE1 3.49Å; K54-E57 IonicContact NZ-OE2 2.65Å; K54-E57 PolarHBondContact NZ-OE2 3.46Å; K54-E57 WeakPolarHBondContact O-CB 3.33Å; K54-E57 PolarHBondContact O-N 2.78Å
58Q94.9Very high95.1Very high3 Ų345 Ų451%0.01425%0.25CS..Hα-helixtrans-83-48.1-179.3-64.6-173.2-89.100112.8V16 D17 T21 Q25 S26 V27 K54 I55 K56V16-Q58 HydrophobicContact CG1-CB 4.1Å; D17-Q58 PolarHBondContact OD1-NE2 3.49Å; T21-Q58 HydrophobicContact CG2-CB 4.29Å; T21-Q58 PolarHBondContact OG1-NE2 3.45Å; Q25-Q58 PolarHBondContact O-NE2 2.88Å; S26-Q58 CarbonylContact C-O 3.52Å; S26-Q58 WeakPolarHBondContact CA-O 3.39Å; V27-Q58 WeakPolarHBondContact CB-O 3.29Å; V27-Q58 WeakPolarHBondContact CG1-O 3.31Å; V27-Q58 PolarHBondContact N-O 3.32Å; K54-Q58 WeakPolarHBondContact O-CG 3.48Å; K54-Q58 PolarHBondContact O-N 3.1Å; K54-Q58 VanDerWaalsContact O-N 3.11Å; I55-Q58 PolarHBondContact O-N 3.2Å; K56-Q58 PolarHBondContact O-N 3.01Å
59L96.8Very high95.3Very high11 Ų1144.9 Ų44.96%0.05825%0.248CC..Hα-helixtrans-102.6-6.1-170.3-59.7-177.3000114.1V16 L20 T21 V27 V46 I55 V63V16-L59 HydrophobicContact CG1-CD1 4.25Å; V16-L59 HydrophobicContact CG1-CD2 4.24Å; V16-L59 HydrophobicContact CG1-CG 4.15Å; V16-L59 HydrophobicContact CG2-CD1 4.23Å; L20-L59 HydrophobicContact CB-CD2 4.27Å; L20-L59 HydrophobicContact CD1-CD1 4.39Å; L20-L59 HydrophobicContact CD1-CD2 4.33Å; T21-L59 HydrophobicContact CG2-CD2 3.81Å; V27-L59 HydrophobicContact CB-CD2 4.03Å; V27-L59 HydrophobicContact CG2-CD2 4.3Å; V46-L59 HydrophobicContact CB-CD1 4.16Å; V46-L59 HydrophobicContact CG1-CD1 3.87Å; V46-L59 HydrophobicContact CG2-CD1 4.05Å; I55-L59 HydrophobicContact CG2-CD1 4.08Å; I55-L59 WeakPolarHBondContact O-CB 3.49Å; I55-L59 PolarHBondContact O-N 3.07Å; L59-V63 HydrophobicContact CB-CB 4Å; L59-V63 HydrophobicContact CB-CG2 3.69Å; L59-V63 HydrophobicContact CD1-CG2 3.83Å; L59-V63 HydrophobicContact CG-CG2 4.43Å
60G95.8Very high95.6Very high21 Ų2142.9 Ų42.922%0.21623%0.227CC..  trans97.3154.4-175.600000113.5K56 D62 V63K56-G60 CarbonylContact O-C 3.24Å; K56-G60 VanDerWaalsContact O-C 3.24Å; K56-G60 WeakPolarHBondContact O-CA 3.35Å; K56-G60 PolarHBondContact O-N 2.82Å; G60-D62 PolarHBondContact O-N 2.8Å; G60-D62 VanDerWaalsContact O-N 3.16Å; G60-V63 VanDerWaalsContact O-CB 3.32Å; G60-V63 WeakPolarHBondContact O-CB 3.22Å; G60-V63 VanDerWaalsContact O-CG1 3.31Å; G60-V63 WeakPolarHBondContact O-CG1 3.39Å; G60-V63 PolarHBondContact O-N 3.37Å; G60-V63 VanDerWaalsContact O-N 3.09Å
61D94.8Very high96Very high133 Ų13340.9 Ų40.971%0.71121%0.213SC*.THydrogen-bonded Turntrans-61.6-24.1-179.6-73.1-44.3000113.8V63D61-V63 VanDerWaalsContact C-N 3.32Å
62D95.6Very high96.2Very high50 Ų5037.4 Ų37.427%0.26720%0.195SC..THydrogen-bonded Turntrans-83.9-0.2179.458.7-13.8000113.7K32 G60 I64 Q65 K66K32-D62 VanDerWaalsContact NZ-CG 3.3Å; K32-D62 IonicContact NZ-OD1 3.03Å; K32-D62 PolarHBondContact NZ-OD1 2.94Å; K32-D62 IonicContact NZ-OD2 2.75Å; K32-D62 PolarHBondContact NZ-OD2 3.33Å; G60-D62 PolarHBondContact O-N 2.8Å; G60-D62 VanDerWaalsContact O-N 3.16Å; D62-I64 PolarHBondContact O-N 2.86Å; D62-I64 VanDerWaalsContact O-N 3.12Å; D62-Q65 PolarHBondContact O-N 2.85Å; D62-K66 HydrophobicContact CB-CD 4.31Å; D62-K66 HydrophobicContact CB-CG 4.36Å; D62-K66 PolarHBondContact O-N 2.97Å; D62-K66 WeakPolarHBondContact OD2-CD 3.4Å; D62-K66 WeakPolarHBondContact OD2-CE 3.4Å; D62-K66 IonicContact OD2-NZ 3.73Å; D62-K66 PolarHBondContact OD2-NZ 2.71Å
63V96.8Very high96.2Very high6 Ų638 Ų384%0.03620%0.196CC..Hα-helixtrans-53.2-37.3-176.366.70000113.7V46 I55 K56 L59 G60 D61 Q65 K66 S67 V70V46-V63 HydrophobicContact CG2-CG2 4.32Å; I55-V63 HydrophobicContact CG2-CG1 4.48Å; K56-V63 HydrophobicContact CG-CG1 3.97Å; L59-V63 HydrophobicContact CB-CB 4Å; L59-V63 HydrophobicContact CB-CG2 3.69Å; L59-V63 HydrophobicContact CD1-CG2 3.83Å; L59-V63 HydrophobicContact CG-CG2 4.43Å; G60-V63 VanDerWaalsContact O-CB 3.32Å; G60-V63 WeakPolarHBondContact O-CB 3.22Å; G60-V63 VanDerWaalsContact O-CG1 3.31Å; G60-V63 WeakPolarHBondContact O-CG1 3.39Å; G60-V63 PolarHBondContact O-N 3.37Å; G60-V63 VanDerWaalsContact O-N 3.09Å; D61-V63 VanDerWaalsContact C-N 3.32Å; V63-Q65 VanDerWaalsContact C-N 3.28Å; V63-Q65 PolarHBondContact O-N 3.35Å; V63-K66 PolarHBondContact O-N 2.91Å; V63-S67 WeakPolarHBondContact O-CB 3.47Å; V63-S67 PolarHBondContact O-N 3.03Å; V63-S67 PolarHBondContact O-OG 3.24Å; V63-V70 HydrophobicContact CG2-CG2 4.1Å
64I97Very high96.3Very high16 Ų1635.6 Ų35.68%0.08218%0.178CC..Hα-helixtrans-63.2-35.4178.4-66.2169.6000111.5L52 D62 V70 Y79 G82L52-I64 HydrophobicContact CD1-CD1 4.12Å; L52-I64 HydrophobicContact CD1-CG1 4.3Å; L52-I64 HydrophobicContact CD2-CD1 4.1Å; D62-I64 PolarHBondContact O-N 2.86Å; D62-I64 VanDerWaalsContact O-N 3.12Å; I64-V70 HydrophobicContact CG1-CG2 4.35Å; I64-Y79 HydrophobicContact CD1-CD1 3.95Å; I64-Y79 HydrophobicContact CD1-CD2 4.37Å; I64-Y79 HydrophobicContact CD1-CE1 3.84Å; I64-Y79 HydrophobicContact CD1-CE2 4.27Å; I64-Y79 HydrophobicContact CD1-CG 4.23Å; I64-Y79 HydrophobicContact CG1-CD1 4.26Å; I64-Y79 HydrophobicContact CG1-CD2 4.46Å; I64-Y79 HydrophobicContact CG1-CG 4.18Å; I64-Y79 HydrophobicContact CG2-CD1 3.71Å; I64-Y79 HydrophobicContact CG2-CE1 4.46Å; I64-Y79 HydrophobicContact CG2-CG 4.09Å; I64-G82 WeakPolarHBondContact O-CA 3.49Å; I64-G82 PolarHBondContact O-N 3.28Å
65Q97.1Very high96.5Very high120 Ų12032.3 Ų32.356%0.56116%0.164SC*.Hα-helixtrans-86.5-27.3178.7-57.9-56.3-17.700112R39 D62 V63 G82R39-Q65 PolarHBondContact NH1-O 3.06Å; D62-Q65 PolarHBondContact O-N 2.85Å; V63-Q65 VanDerWaalsContact C-N 3.28Å; V63-Q65 PolarHBondContact O-N 3.35Å; Q65-G82 PolarHBondContact NE2-O 2.98Å
66K95.6Very high96.6Very high71 Ų7132.5 Ų32.531%0.30917%0.165SC..Hα-helixtrans-87.5-14.5-177.6-71-166.2168.5175.80114.6E36 R39 D62 V63E36-K66 HydrophobicContact CG-CD 4.32Å; E36-K66 VanDerWaalsContact OE1-CD 3.24Å; E36-K66 WeakPolarHBondContact OE1-CD 3.37Å; E36-K66 WeakPolarHBondContact OE1-CE 3.35Å; E36-K66 IonicContact OE1-NZ 3.75Å; E36-K66 PolarHBondContact OE1-NZ 2.8Å; R39-K66 WeakPolarHBondContact CD-O 3.46Å; R39-K66 PolarHBondContact NH1-O 3.05Å; D62-K66 HydrophobicContact CB-CD 4.31Å; D62-K66 HydrophobicContact CB-CG 4.36Å; D62-K66 PolarHBondContact O-N 2.97Å; D62-K66 WeakPolarHBondContact OD2-CD 3.4Å; D62-K66 WeakPolarHBondContact OD2-CE 3.4Å; D62-K66 IonicContact OD2-NZ 3.73Å; D62-K66 PolarHBondContact OD2-NZ 2.71Å; V63-K66 PolarHBondContact O-N 2.91Å
67S96.7Very high96.6Very high10 Ų1030.6 Ų30.67%0.0716%0.158CC..SBendtrans-110.2151.9173.7-44.40000110.6V63 Y69V63-S67 WeakPolarHBondContact O-CB 3.47Å; V63-S67 PolarHBondContact O-N 3.03Å; V63-S67 PolarHBondContact O-OG 3.24Å; S67-Y69 VanDerWaalsContact CB-O 3.27Å; S67-Y69 WeakPolarHBondContact CB-O 3.05Å
68D97.7Very high96.8Very high0 Ų025.5 Ų25.50%013%0.134CC..SBendtrans-74.7-32.2169.7-60.8-67.5000111.2R39 R43 V44 R80 H81R39-D68 IonicContact CZ-OD1 2.98Å; R39-D68 IonicContact NE-OD1 2.77Å; R39-D68 PolarHBondContact NE-OD1 3.18Å; R39-D68 IonicContact NE-OD2 2.78Å; R39-D68 PolarHBondContact NE-OD2 2.88Å; R39-D68 IonicContact NH2-OD1 2.63Å; R39-D68 PolarHBondContact NH2-OD1 3.25Å; R43-D68 WeakPolarHBondContact CA-OD2 3.36Å; R43-D68 HydrophobicContact CB-CB 4.45Å; R43-D68 VanDerWaalsContact CD-CG 3.48Å; R43-D68 WeakPolarHBondContact CD-OD2 3.37Å; R43-D68 IonicContact CZ-OD1 3.26Å; R43-D68 IonicContact NH1-OD1 3.61Å; R43-D68 PolarHBondContact NH1-OD1 3.05Å; V44-D68 PolarHBondContact N-OD2 3.21Å; V44-D68 WeakPolarHBondContact O-CA 3.34Å; V44-D68 WeakPolarHBondContact O-CB 3.49Å; V44-D68 PolarHBondContact O-N 3.22Å; D68-R80 CarbonylContact O-C 3.52Å; D68-R80 WeakPolarHBondContact O-CA 3.14Å; D68-H81 PolarHBondContact O-N 3.36Å; D68-H81 IonicContact OD1-ND1 2.85Å
69Y98.4Very high96.9Very high1 Ų127.5 Ų27.50%0.00414%0.142CC..EExtended strand (participates in β ladder)trans-131.7143.2170.8-59.8-90.4000112.4L11 V44 G45 V46 S67 F71 Y79 R80 V199 D202 Y204L11-Y69 HydrophobicContact CD1-CD2 3.95Å; L11-Y69 HydrophobicContact CD1-CE2 4.21Å; L11-Y69 HydrophobicContact CD2-CD2 4.39Å; L11-Y69 HydrophobicContact CD2-CE2 4.39Å; V44-Y69 PolarHBondContact O-N 3.21Å; G45-Y69 VanDerWaalsContact CA-O 3.23Å; G45-Y69 WeakPolarHBondContact CA-O 3.45Å; V46-Y69 PolarHBondContact N-O 2.85Å; S67-Y69 VanDerWaalsContact CB-O 3.27Å; S67-Y69 WeakPolarHBondContact CB-O 3.05Å; Y69-F71 VanDerWaalsContact CB-CE2 3.41Å; Y69-F71 HydrophobicContact CD1-CE1 4.19Å; Y69-F71 HydrophobicContact CD1-CE2 4.03Å; Y69-F71 AromaticContact CD1-CZ 3.44Å; Y69-F71 HydrophobicContact CD1-CZ 3.44Å; Y69-F71 VanDerWaalsContact CD1-CZ 3.44Å; Y69-F71 HydrophobicContact CE1-CZ 4.35Å; Y69-F71 AromaticContact CG-CE2 3.83Å; Y69-F71 HydrophobicContact CG-CE2 3.83Å; Y69-F71 AromaticContact CG-CZ 3.76Å; Y69-F71 HydrophobicContact CG-CZ 3.76Å; Y69-Y79 VanDerWaalsContact CA-O 3.32Å; Y69-Y79 WeakPolarHBondContact CA-O 3.39Å; Y69-R80 HydrophobicContact CD1-CB 4.08Å; Y69-R80 HydrophobicContact CD1-CG 3.99Å; Y69-R80 HydrophobicContact CE1-CB 3.99Å; Y69-R80 HydrophobicContact CE1-CG 3.46Å; Y69-R80 VanDerWaalsContact CE1-CG 3.46Å; Y69-R80 PolarHBondContact OH-NE 3.21Å; Y69-V199 HydrophobicContact CD1-CG1 4.29Å; Y69-V199 HydrophobicContact CE1-CG1 4.23Å; Y69-V199 HydrophobicContact CG-CG1 4.47Å; Y69-D202 PolarHBondContact OH-OD2 2.73Å; Y69-Y204 HydrophobicContact CE2-CE2 4.08Å; Y69-Y204 WeakPolarHBondContact CE2-OH 3.42Å; Y69-Y204 PolarHBondContact OH-OH 2.77Å
70V98.6Very high96.9Very high1 Ų130.2 Ų30.21%0.00615%0.151CC..EExtended strand (participates in β ladder)trans-130.6113165.6-178.50000108V46 L52 I55 V63 I64 Y79V46-V70 HydrophobicContact CG2-CB 4.19Å; V46-V70 HydrophobicContact CG2-CG1 3.9Å; V46-V70 HydrophobicContact CG2-CG2 4.05Å; L52-V70 HydrophobicContact CD1-CG1 4.03Å; I55-V70 HydrophobicContact CG2-CG1 4.2Å; V63-V70 HydrophobicContact CG2-CG2 4.1Å; I64-V70 HydrophobicContact CG1-CG2 4.35Å; V70-Y79 PolarHBondContact N-O 3.4Å; V70-Y79 PolarHBondContact O-N 3.12Å
71F98.5Very high96.9Very high0 Ų033.4 Ų33.40%016%0.16CC..EExtended strand (participates in β ladder)trans-107.299.2179.4-62.4-63.5000109.3L13 V46 V47 G48 Y69 A78 C195 I198 V199L13-F71 HydrophobicContact CD2-CD2 4.35Å; L13-F71 HydrophobicContact CD2-CE2 4.02Å; V46-F71 WeakPolarHBondContact O-CB 3.07Å; V46-F71 PolarHBondContact O-N 3.21Å; V47-F71 WeakPolarHBondContact CA-O 3.37Å; V47-F71 HydrophobicContact CB-CB 3.95Å; V47-F71 HydrophobicContact CB-CD2 4.34Å; V47-F71 HydrophobicContact CG2-CB 3.88Å; G48-F71 PolarHBondContact N-O 2.74Å; Y69-F71 VanDerWaalsContact CB-CE2 3.41Å; Y69-F71 HydrophobicContact CD1-CE1 4.19Å; Y69-F71 HydrophobicContact CD1-CE2 4.03Å; Y69-F71 AromaticContact CD1-CZ 3.44Å; Y69-F71 HydrophobicContact CD1-CZ 3.44Å; Y69-F71 VanDerWaalsContact CD1-CZ 3.44Å; Y69-F71 HydrophobicContact CE1-CZ 4.35Å; Y69-F71 AromaticContact CG-CE2 3.83Å; Y69-F71 HydrophobicContact CG-CE2 3.83Å; Y69-F71 AromaticContact CG-CZ 3.76Å; Y69-F71 HydrophobicContact CG-CZ 3.76Å; F71-A78 HydrophobicContact CD1-CB 3.64Å; F71-A78 HydrophobicContact CE1-CB 3.73Å; F71-C195 HydrophobicContact CB-CB 4.07Å; F71-C195 HydrophobicContact CD1-CB 3.77Å; F71-C195 HydrophobicContact CD2-CB 3.65Å; F71-C195 HydrophobicContact CE1-CB 4.06Å; F71-C195 HydrophobicContact CE2-CB 3.93Å; F71-C195 HydrophobicContact CG-CB 3.55Å; F71-C195 HydrophobicContact CZ-CB 4.13Å; F71-I198 HydrophobicContact CD1-CD1 4.28Å; F71-I198 HydrophobicContact CE1-CB 4.1Å; F71-I198 HydrophobicContact CE1-CD1 3.88Å; F71-I198 HydrophobicContact CE1-CG2 4Å; F71-I198 HydrophobicContact CZ-CB 4.43Å; F71-I198 HydrophobicContact CZ-CG2 4.35Å; F71-V199 HydrophobicContact CE2-CG1 3.81Å; F71-V199 HydrophobicContact CZ-CG1 3.54Å
72A97Very high96.9Very high0 Ų027.8 Ų27.80%013%0.134CC..EExtended strand (participates in β ladder)trans-87.3153.3169.500000110G48 L52 I55 N74 G75 L76 V77G48-A72 CarbonylContact O-C 3.29Å; L52-A72 HydrophobicContact CB-CB 4.09Å; I55-A72 HydrophobicContact CD1-CB 3.77Å; A72-N74 VanDerWaalsContact C-N 3.31Å; A72-N74 PolarHBondContact O-N 3.34Å; A72-G75 WeakPolarHBondContact O-CA 3.38Å; A72-G75 PolarHBondContact O-N 2.63Å; A72-L76 PolarHBondContact O-N 2.88Å; A72-V77 HydrophobicContact CB-CB 4.15Å; A72-V77 PolarHBondContact N-O 3.19Å; A72-V77 PolarHBondContact O-N 3.24Å; A72-V77 VanDerWaalsContact O-N 3.16Å
73E95.4Very high97Very high40 Ų4032.4 Ų32.419%0.18715%0.154CC..G310 helixtrans49.251.7-176.7-57.8179-137.200111.7G48 S50 G75 L76 N127 G128G48-E73 PolarHBondContact O-N 3.1Å; S50-E73 PolarHBondContact O-N 2.79Å; E73-G75 PolarHBondContact O-N 2.77Å; E73-L76 HydrophobicContact CB-CB 4.13Å; E73-L76 HydrophobicContact CB-CD1 4.28Å; E73-L76 WeakPolarHBondContact O-CB 3.36Å; E73-L76 WeakPolarHBondContact O-CG 3.38Å; E73-L76 PolarHBondContact O-N 3.24Å; E73-L76 VanDerWaalsContact O-N 3.13Å; E73-N127 VanDerWaalsContact OE2-CB 3.27Å; E73-N127 WeakPolarHBondContact OE2-CB 3.3Å; E73-N127 PolarHBondContact OE2-ND2 2.84Å; E73-G128 PolarHBondContact OE2-N 3.13Å
74N96.2Very high97Very high28 Ų2836.7 Ų36.715%0.1518%0.176CC..G310 helixtrans60.911.1-176.8-59.6-25.7000115.5G48 G49 A72 W190 C195G48-N74 PolarHBondContact O-N 2.69Å; G49-N74 WeakPolarHBondContact CA-OD1 3.28Å; G49-N74 PolarHBondContact N-OD1 2.66Å; A72-N74 VanDerWaalsContact C-N 3.31Å; A72-N74 PolarHBondContact O-N 3.34Å; N74-W190 PolarHBondContact ND2-O 2.74Å; N74-C195 PolarHBondContact O-N 2.84Å
75G97.1Very high97Very high0 Ų039.9 Ų39.90%019%0.191CC..G310 helixtrans108.90.1-178.700000114.4A72 E73 V77 Y194 I198A72-G75 WeakPolarHBondContact O-CA 3.38Å; A72-G75 PolarHBondContact O-N 2.63Å; E73-G75 PolarHBondContact O-N 2.77Å; G75-V77 PolarHBondContact O-N 2.96Å; G75-Y194 WeakPolarHBondContact O-CE1 3.43Å; G75-I198 WeakPolarHBondContact O-CD1 3.34Å
76L96.7Very high96.9Very high5 Ų535.9 Ų35.93%0.02618%0.176CC..THydrogen-bonded Turntrans-61.3-31.7171.4-62.6174.5000111.8A72 E73 V87 Q88 W190 Y194A72-L76 PolarHBondContact O-N 2.88Å; E73-L76 HydrophobicContact CB-CB 4.13Å; E73-L76 HydrophobicContact CB-CD1 4.28Å; E73-L76 WeakPolarHBondContact O-CB 3.36Å; E73-L76 WeakPolarHBondContact O-CG 3.38Å; E73-L76 PolarHBondContact O-N 3.24Å; E73-L76 VanDerWaalsContact O-N 3.13Å; L76-V87 CarbonylContact O-C 3.12Å; L76-V87 WeakPolarHBondContact O-CA 3.21Å; L76-Q88 HydrophobicContact CD2-CB 3.97Å; L76-Q88 HydrophobicContact CD2-CG 4.1Å; L76-Q88 PolarHBondContact O-N 3.47Å; L76-W190 HydrophobicContact CD1-CD2 4.22Å; L76-W190 HydrophobicContact CD1-CE3 3.45Å; L76-W190 VanDerWaalsContact CD1-CE3 3.45Å; L76-W190 HydrophobicContact CD1-CH2 4.42Å; L76-W190 HydrophobicContact CD1-CZ3 3.6Å; L76-W190 HydrophobicContact CD2-CD2 3.58Å; L76-W190 HydrophobicContact CD2-CE3 3.57Å; L76-W190 HydrophobicContact CD2-CG 4.29Å; L76-W190 HydrophobicContact CD2-CH2 3.74Å; L76-W190 HydrophobicContact CD2-CZ2 3.75Å; L76-W190 HydrophobicContact CD2-CZ3 3.68Å; L76-W190 HydrophobicContact CG-CD2 4.45Å; L76-W190 HydrophobicContact CG-CE3 4.11Å; L76-W190 HydrophobicContact CG-CZ3 4.31Å; L76-Y194 HydrophobicContact CD2-CD1 4.1Å; L76-Y194 HydrophobicContact CD2-CD2 4.22Å; L76-Y194 HydrophobicContact CD2-CE1 3.79Å; L76-Y194 HydrophobicContact CD2-CE2 3.91Å; L76-Y194 HydrophobicContact CD2-CG 4.31Å
77V97.1Very high96.9Very high19 Ų1936.6 Ų36.612%0.11519%0.186CC..EExtended strand (participates in β ladder)trans-112.2107.2165.7-179.30000107.7A72 G75 Y79 L84 V87A72-V77 HydrophobicContact CB-CB 4.15Å; A72-V77 PolarHBondContact N-O 3.19Å; A72-V77 PolarHBondContact O-N 3.24Å; A72-V77 VanDerWaalsContact O-N 3.16Å; G75-V77 PolarHBondContact O-N 2.96Å; V77-Y79 HydrophobicContact CG1-CD2 4.45Å; V77-Y79 HydrophobicContact CG1-CE2 3.79Å; V77-L84 HydrophobicContact CG1-CD1 4.29Å; V77-V87 HydrophobicContact CG1-CG2 4.49Å; V77-V87 HydrophobicContact CG2-CG1 4.32Å
78A98.1Very high96.9Very high0 Ų038.5 Ų38.50%019%0.194CC..EExtended strand (participates in β ladder)trans-113.4131.3-176.100000111.2F71 H85 S86 I198F71-A78 HydrophobicContact CD1-CB 3.64Å; F71-A78 HydrophobicContact CE1-CB 3.73Å; A78-H85 HydrophobicContact CB-CB 4.37Å; A78-H85 WeakPolarHBondContact O-CB 3.41Å; A78-H85 PolarHBondContact O-N 3.21Å; A78-S86 WeakPolarHBondContact CB-OG 3.49Å; A78-S86 PolarHBondContact N-O 2.92Å; A78-S86 PolarHBondContact O-N 2.92Å; A78-I198 HydrophobicContact CB-CD1 3.66Å
79Y98.4Very high96.7Very high46 Ų4639.7 Ų39.718%0.1820%0.202CC..EExtended strand (participates in β ladder)trans-110.1141.6164.6-66.4-100.7000109.5L52 I64 Y69 V70 V77 Q83 L84L52-Y79 HydrophobicContact CD1-CD2 4.29Å; L52-Y79 HydrophobicContact CD1-CE2 3.98Å; L52-Y79 HydrophobicContact CD2-CE2 3.55Å; L52-Y79 WeakPolarHBondContact CD2-OH 3.35Å; L52-Y79 HydrophobicContact CG-CE2 4.33Å; I64-Y79 HydrophobicContact CD1-CD1 3.95Å; I64-Y79 HydrophobicContact CD1-CD2 4.37Å; I64-Y79 HydrophobicContact CD1-CE1 3.84Å; I64-Y79 HydrophobicContact CD1-CE2 4.27Å; I64-Y79 HydrophobicContact CD1-CG 4.23Å; I64-Y79 HydrophobicContact CG1-CD1 4.26Å; I64-Y79 HydrophobicContact CG1-CD2 4.46Å; I64-Y79 HydrophobicContact CG1-CG 4.18Å; I64-Y79 HydrophobicContact CG2-CD1 3.71Å; I64-Y79 HydrophobicContact CG2-CE1 4.46Å; I64-Y79 HydrophobicContact CG2-CG 4.09Å; Y69-Y79 VanDerWaalsContact CA-O 3.32Å; Y69-Y79 WeakPolarHBondContact CA-O 3.39Å; V70-Y79 PolarHBondContact N-O 3.4Å; V70-Y79 PolarHBondContact O-N 3.12Å; V77-Y79 HydrophobicContact CG1-CD2 4.45Å; V77-Y79 HydrophobicContact CG1-CE2 3.79Å; Y79-Q83 CarbonylContact C-O 3.55Å; Y79-Q83 WeakPolarHBondContact CA-O 3.48Å; Y79-L84 HydrophobicContact CD1-CB 4.19Å; Y79-L84 HydrophobicContact CD1-CD1 4.42Å; Y79-L84 HydrophobicContact CD2-CD1 4.43Å; Y79-L84 HydrophobicContact CE1-CB 3.86Å; Y79-L84 HydrophobicContact CE1-CD1 3.96Å; Y79-L84 HydrophobicContact CE2-CD1 3.97Å
80R97.3Very high96.6Very high68 Ų6839.7 Ų39.726%0.25720%0.202SC..EExtended strand (participates in β ladder)trans-136.1127.4178.4179.7179.3180178.8-1.6109.3D68 Y69 G82 Q83 H85 D202D68-R80 CarbonylContact O-C 3.52Å; D68-R80 WeakPolarHBondContact O-CA 3.14Å; Y69-R80 HydrophobicContact CD1-CB 4.08Å; Y69-R80 HydrophobicContact CD1-CG 3.99Å; Y69-R80 HydrophobicContact CE1-CB 3.99Å; Y69-R80 HydrophobicContact CE1-CG 3.46Å; Y69-R80 VanDerWaalsContact CE1-CG 3.46Å; Y69-R80 PolarHBondContact OH-NE 3.21Å; R80-G82 VanDerWaalsContact C-N 3.26Å; R80-G82 PolarHBondContact O-N 2.91Å; R80-Q83 PolarHBondContact N-O 3.21Å; R80-Q83 PolarHBondContact O-N 3.42Å; R80-H85 HydrophobicContact CB-CB 3.97Å; R80-D202 IonicContact CZ-OD1 3.6Å; R80-D202 IonicContact CZ-OD2 2.77Å; R80-D202 IonicContact NE-OD2 3.49Å; R80-D202 IonicContact NH1-OD1 3.02Å; R80-D202 PolarHBondContact NH1-OD1 2.74Å; R80-D202 IonicContact NH1-OD2 3.53Å; R80-D202 PolarHBondContact NH1-OD2 3.28Å; R80-D202 IonicContact NH2-OD1 3.02Å; R80-D202 PolarHBondContact NH2-OD1 2.8Å; R80-D202 IonicContact NH2-OD2 2.55Å; R80-D202 PolarHBondContact NH2-OD2 3.46Å
81H94.6Very high96.5Very high87 Ų8743.8 Ų43.840%0.40322%0.221SC..THydrogen-bonded Turntrans47.646.7-179.7-55.5-49.8000113.4D68 Q83D68-H81 PolarHBondContact O-N 3.36Å; D68-H81 IonicContact OD1-ND1 2.85Å; H81-Q83 VanDerWaalsContact C-N 3.27Å; H81-Q83 PolarHBondContact O-N 3.33Å
82G95.3Very high96.4Very high16 Ų1647 Ų4717%0.16525%0.248CC..THydrogen-bonded Turntrans80.9-2.6178.200000115.7I64 Q65 R80I64-G82 WeakPolarHBondContact O-CA 3.49Å; I64-G82 PolarHBondContact O-N 3.28Å; Q65-G82 PolarHBondContact NE2-O 2.98Å; R80-G82 VanDerWaalsContact C-N 3.26Å; R80-G82 PolarHBondContact O-N 2.91Å
83Q97.2Very high96.3Very high147 Ų14751.5 Ų51.569%0.68727%0.269SS*.EExtended strand (participates in β ladder)trans-116.7148-176-61.4-171.8-2.400111.9Y79 R80 H81 H85Y79-Q83 CarbonylContact C-O 3.55Å; Y79-Q83 WeakPolarHBondContact CA-O 3.48Å; R80-Q83 PolarHBondContact N-O 3.21Å; R80-Q83 PolarHBondContact O-N 3.42Å; H81-Q83 VanDerWaalsContact C-N 3.27Å; H81-Q83 PolarHBondContact O-N 3.33Å; Q83-H85 PolarHBondContact O-N 2.99Å
84L97.4Very high96.4Very high96 Ų9651 Ų5150%0.50327%0.267SS..EExtended strand (participates in β ladder)trans-65.7121.1170.6-179.267000108.5V77 Y79 V87V77-L84 HydrophobicContact CG1-CD1 4.29Å; Y79-L84 HydrophobicContact CD1-CB 4.19Å; Y79-L84 HydrophobicContact CD1-CD1 4.42Å; Y79-L84 HydrophobicContact CD2-CD1 4.43Å; Y79-L84 HydrophobicContact CE1-CB 3.86Å; Y79-L84 HydrophobicContact CE1-CD1 3.96Å; Y79-L84 HydrophobicContact CE2-CD1 3.97Å; L84-V87 HydrophobicContact CD1-CG2 3.88Å; L84-V87 HydrophobicContact CD2-CG2 4.07Å; L84-V87 HydrophobicContact CG-CG2 4.39Å
85H97Very high96.5Very high83 Ų8351.1 Ų51.138%0.38428%0.275SS..EExtended strand (participates in β ladder)trans-96.2-49.9-178.5175.1-91.6000111.3A78 R80 Q83A78-H85 HydrophobicContact CB-CB 4.37Å; A78-H85 WeakPolarHBondContact O-CB 3.41Å; A78-H85 PolarHBondContact O-N 3.21Å; R80-H85 HydrophobicContact CB-CB 3.97Å; Q83-H85 PolarHBondContact O-N 2.99Å
86S95.6Very high96.5Very high35 Ų3555.5 Ų55.525%0.24530%0.295CS..EExtended strand (participates in β ladder)trans-154.4149.2-17851.70000112.1A78A78-S86 WeakPolarHBondContact CB-OG 3.49Å; A78-S86 PolarHBondContact N-O 2.92Å; A78-S86 PolarHBondContact O-N 2.92Å
87V95.1Very high96.6Very high87 Ų8762.9 Ų62.953%0.52733%0.329SS..EExtended strand (participates in β ladder)trans-127.8128.7167179.60000107.1L76 V77 L84L76-V87 CarbonylContact O-C 3.12Å; L76-V87 WeakPolarHBondContact O-CA 3.21Å; V77-V87 HydrophobicContact CG1-CG2 4.49Å; V77-V87 HydrophobicContact CG2-CG1 4.32Å; L84-V87 HydrophobicContact CD1-CG2 3.88Å; L84-V87 HydrophobicContact CD2-CG2 4.07Å; L84-V87 HydrophobicContact CG-CG2 4.39Å
88Q95.6Very high96.6Very high50 Ų5063.1 Ų63.123%0.23433%0.33CS..  trans-124.5140.8174.2-176.462.7-77.700109.5L76 N127 W190 Y194L76-Q88 HydrophobicContact CD2-CB 3.97Å; L76-Q88 HydrophobicContact CD2-CG 4.1Å; L76-Q88 PolarHBondContact O-N 3.47Å; Q88-N127 PolarHBondContact O-ND2 3.42Å; Q88-N127 PolarHBondContact O-OD1 2.78Å; Q88-W190 HydrophobicContact CG-CH2 3.75Å; Q88-W190 HydrophobicContact CG-CZ2 3.61Å; Q88-Y194 WeakPolarHBondContact CB-OH 3.4Å
89S94.8Very high96.7Very high25 Ų2563.3 Ų63.318%0.17533%0.331CS..  trans-123.4150.1175.877.20000110.5Q91 A92 H93 N127S89-Q91 PolarHBondContact O-N 2.75Å; S89-A92 PolarHBondContact O-N 3.13Å; S89-A92 VanDerWaalsContact O-N 3.11Å; S89-A92 WeakPolarHBondContact OG-CB 3.43Å; S89-A92 PolarHBondContact OG-N 3.33Å; S89-H93 PolarHBondContact O-N 3.06Å; S89-N127 CarbonylContact C-O 3.49Å; S89-N127 WeakPolarHBondContact CA-O 3.43Å; S89-N127 VanDerWaalsContact CB-OD1 3.29Å; S89-N127 WeakPolarHBondContact CB-OD1 3.28Å
90I96.3Very high96.7Very high0 Ų066 Ų660%035%0.345CS..Hα-helixtrans-58.5-33.9-179.7-169.2171000111.8H93 M94 L99 F125 N127 L130 P187 W190I90-H93 PolarHBondContact O-N 2.87Å; I90-M94 HydrophobicContact CG1-CG 3.79Å; I90-M94 WeakPolarHBondContact O-CB 3.36Å; I90-M94 WeakPolarHBondContact O-CG 3.42Å; I90-M94 PolarHBondContact O-N 2.88Å; I90-L99 HydrophobicContact CD1-CD2 4.25Å; I90-L99 HydrophobicContact CG1-CD2 4.2Å; I90-L99 HydrophobicContact CG2-CD1 4.42Å; I90-F125 HydrophobicContact CG2-CE1 3.65Å; I90-F125 HydrophobicContact CG2-CE2 4.36Å; I90-F125 HydrophobicContact CG2-CZ 3.5Å; I90-F125 VanDerWaalsContact CG2-CZ 3.5Å; I90-N127 PolarHBondContact N-O 3.43Å; I90-L130 HydrophobicContact CD1-CD1 3.62Å; I90-P187 HydrophobicContact CD1-CG 4.26Å; I90-P187 HydrophobicContact CG1-CG 3.9Å; I90-W190 HydrophobicContact CB-CH2 4.25Å; I90-W190 HydrophobicContact CB-CZ3 3.86Å; I90-W190 HydrophobicContact CG1-CZ3 4.39Å
91Q96Very high96.7Very high87 Ų8767 Ų6741%0.40736%0.355SS..Hα-helixtrans-62.7-49.5174.8-176.4-137.411.900112.2S89 H93 G95 E96 L99 F125S89-Q91 PolarHBondContact O-N 2.75Å; Q91-H93 PolarHBondContact O-N 2.83Å; Q91-G95 WeakPolarHBondContact O-CA 3.49Å; Q91-G95 PolarHBondContact O-N 2.97Å; Q91-E96 VanDerWaalsContact CG-OE1 3.27Å; Q91-E96 WeakPolarHBondContact CG-OE1 3.19Å; Q91-E96 PolarHBondContact NE2-OE1 3.33Å; Q91-L99 VanDerWaalsContact CA-CD1 3.48Å; Q91-L99 HydrophobicContact CB-CD1 4.07Å; Q91-L99 HydrophobicContact CG-CD1 4.49Å; Q91-F125 HydrophobicContact CB-CZ 4.2Å
92A95.8Very high96.9Very high69 Ų6962.9 Ų62.957%0.5734%0.336SS*.Hα-helixtrans-65.9-29.3179.600000112.2S89S89-A92 PolarHBondContact O-N 3.13Å; S89-A92 VanDerWaalsContact O-N 3.11Å; S89-A92 WeakPolarHBondContact OG-CB 3.43Å; S89-A92 PolarHBondContact OG-N 3.33Å
93H96.3Very high97.1Very high94 Ų9464.1 Ų64.144%0.43534%0.339SS..Hα-helixtrans-83.9-47.2-180-174.369.4000114S89 I90 Q91 W190S89-H93 PolarHBondContact O-N 3.06Å; I90-H93 PolarHBondContact O-N 2.87Å; Q91-H93 PolarHBondContact O-N 2.83Å; H93-W190 HydrophobicContact CB-CH2 3.76Å; H93-W190 HydrophobicContact CB-CZ2 3.41Å; H93-W190 VanDerWaalsContact CB-CZ2 3.41Å; H93-W190 AromaticContact CD2-CE2 3.87Å; H93-W190 AromaticContact CD2-CZ2 3.62Å; H93-W190 AromaticContact CD2-NE1 3.85Å; H93-W190 AromaticContact CG-CZ2 3.43Å; H93-W190 VanDerWaalsContact CG-CZ2 3.43Å; H93-W190 AromaticContact NE2-NE1 3.79Å
94M97.1Very high97.2Very high30 Ų3061 Ų6115%0.14833%0.327CS..Hα-helixtrans-90.8-22.3-173.8-59.6-55.9-70.100113.4I90 L98 L99 K171 L173 P187I90-M94 HydrophobicContact CG1-CG 3.79Å; I90-M94 WeakPolarHBondContact O-CB 3.36Å; I90-M94 WeakPolarHBondContact O-CG 3.42Å; I90-M94 PolarHBondContact O-N 2.88Å; M94-L98 HydrophobicContact CB-CD2 4.37Å; M94-L98 HydrophobicContact CE-CD2 3.28Å; M94-L98 HydrophobicContact CE-CG 4.49Å; M94-L99 HydrophobicContact CB-CD2 4.18Å; M94-L99 HydrophobicContact CB-CG 4.13Å; M94-K171 WeakPolarHBondContact CE-O 3.43Å; M94-L173 HydrophobicContact CE-CD2 3.57Å; M94-L173 HydrophobicContact CE-CG 3.99Å; M94-P187 HydrophobicContact CG-CG 3.79Å; M94-P187 HydrophobicContact SD-CB 3.73Å; M94-P187 HydrophobicContact SD-CG 3.67Å
95G97.6Very high97.2Very high30 Ų3058.7 Ų58.731%0.30931%0.313SS..  trans80.3156.9-174.600000113.8Q91 E97 L99Q91-G95 WeakPolarHBondContact O-CA 3.49Å; Q91-G95 PolarHBondContact O-N 2.97Å; G95-E97 PolarHBondContact O-N 2.94Å; G95-L99 WeakPolarHBondContact O-CG 3.07Å; G95-L99 PolarHBondContact O-N 3.21Å
96E97.8Very high97.3Very high92 Ų9254.7 Ų54.743%0.4330%0.295SS..Hα-helixtrans-64.1-39.8-177.1-77-68.6160.400113.4Q91 L99 Q100Q91-E96 VanDerWaalsContact CG-OE1 3.27Å; Q91-E96 WeakPolarHBondContact CG-OE1 3.19Å; Q91-E96 PolarHBondContact NE2-OE1 3.33Å; E96-L99 PolarHBondContact O-N 2.81Å; E96-Q100 WeakPolarHBondContact O-CB 3.29Å; E96-Q100 VanDerWaalsContact O-CG 3.26Å; E96-Q100 WeakPolarHBondContact O-CG 3.28Å; E96-Q100 PolarHBondContact O-N 2.87Å; E96-Q100 PolarHBondContact OE2-NE2 3.16Å; E96-Q100 VanDerWaalsContact OE2-NE2 3.07Å
97E98.3Very high97.5Very high159 Ų15956.9 Ų56.974%0.74330%0.303SS*.Hα-helixtrans-59.5-54.3-175.7-173.2179.1176.100111.3G95 L99 Q100 D101G95-E97 PolarHBondContact O-N 2.94Å; E97-L99 VanDerWaalsContact C-N 3.34Å; E97-L99 PolarHBondContact O-N 2.79Å; E97-Q100 PolarHBondContact O-N 2.98Å; E97-D101 PolarHBondContact O-N 2.83Å
98L98.3Very high97.6Very high25 Ų2557.8 Ų57.813%0.13131%0.305CS..Hα-helixtrans-64.4-38.5179.417760.5000112.3M94 D101 F102 F168 K171M94-L98 HydrophobicContact CB-CD2 4.37Å; M94-L98 HydrophobicContact CE-CD2 3.28Å; M94-L98 HydrophobicContact CE-CG 4.49Å; L98-D101 PolarHBondContact O-N 3.27Å; L98-F102 WeakPolarHBondContact O-CB 3.17Å; L98-F102 PolarHBondContact O-N 3.27Å; L98-F168 HydrophobicContact CD1-CD1 3.86Å; L98-F168 HydrophobicContact CD1-CE1 4.1Å; L98-K171 HydrophobicContact CD1-CB 4.02Å; L98-K171 HydrophobicContact CD1-CD 4.24Å; L98-K171 HydrophobicContact CD1-CG 4.16Å; L98-K171 HydrophobicContact CD2-CB 4.21Å
99L98.4Very high97.8Very high4 Ų458.2 Ų58.22%0.02131%0.305CS..Hα-helixtrans-68.1-40.3178.5-72.5-175.9000112.3I90 Q91 M94 G95 E96 E97 F102 I103 F125 L130I90-L99 HydrophobicContact CD1-CD2 4.25Å; I90-L99 HydrophobicContact CG1-CD2 4.2Å; I90-L99 HydrophobicContact CG2-CD1 4.42Å; Q91-L99 VanDerWaalsContact CA-CD1 3.48Å; Q91-L99 HydrophobicContact CB-CD1 4.07Å; Q91-L99 HydrophobicContact CG-CD1 4.49Å; M94-L99 HydrophobicContact CB-CD2 4.18Å; M94-L99 HydrophobicContact CB-CG 4.13Å; G95-L99 WeakPolarHBondContact O-CG 3.07Å; G95-L99 PolarHBondContact O-N 3.21Å; E96-L99 PolarHBondContact O-N 2.81Å; E97-L99 VanDerWaalsContact C-N 3.34Å; E97-L99 PolarHBondContact O-N 2.79Å; L99-F102 PolarHBondContact O-N 2.86Å; L99-I103 WeakPolarHBondContact O-CB 3.41Å; L99-I103 WeakPolarHBondContact O-CD1 3.46Å; L99-I103 WeakPolarHBondContact O-CG1 3.27Å; L99-I103 PolarHBondContact O-N 2.91Å; L99-F125 HydrophobicContact CD1-CE2 4.07Å; L99-F125 HydrophobicContact CD1-CZ 3.94Å; L99-L130 HydrophobicContact CD2-CD1 3.87Å
100Q98.6Very high97.9Very high103 Ų10357.4 Ų57.448%0.48130%0.298SS..Hα-helixtrans-66.3-41.5175.7-72.5179.127.900111.2E96 E97 F102 I103 N104E96-Q100 WeakPolarHBondContact O-CB 3.29Å; E96-Q100 VanDerWaalsContact O-CG 3.26Å; E96-Q100 WeakPolarHBondContact O-CG 3.28Å; E96-Q100 PolarHBondContact O-N 2.87Å; E96-Q100 PolarHBondContact OE2-NE2 3.16Å; E96-Q100 VanDerWaalsContact OE2-NE2 3.07Å; E97-Q100 PolarHBondContact O-N 2.98Å; Q100-F102 VanDerWaalsContact C-N 3.33Å; Q100-F102 PolarHBondContact O-N 2.76Å; Q100-I103 PolarHBondContact O-N 3.48Å; Q100-N104 WeakPolarHBondContact O-CB 3.33Å; Q100-N104 PolarHBondContact O-N 2.85Å; Q100-N104 PolarHBondContact O-ND2 3.36Å; Q100-N104 VanDerWaalsContact O-ND2 3.16Å
101D98.6Very high98Very high87 Ų8761.1 Ų61.147%0.46533%0.329SS..Hα-helixtrans-57.4-47.7173-76.3-13.8000111.3E97 L98 N104 F105 F168E97-D101 PolarHBondContact O-N 2.83Å; L98-D101 PolarHBondContact O-N 3.27Å; D101-N104 PolarHBondContact O-N 2.7Å; D101-F105 VanDerWaalsContact O-CB 3.3Å; D101-F105 WeakPolarHBondContact O-CB 3.33Å; D101-F105 PolarHBondContact O-N 3.01Å; D101-F168 HydrophobicContact CB-CE1 4.21Å
102F98.6Very high98.1Very high1 Ų165.5 Ų65.50%0.00435%0.347CS..Hα-helixtrans-60.2-48.8176.7178.8-94.2000112.8L98 L99 Q100 F105 C106 L130 V132 L164 F168 L173 F175 V185L98-F102 WeakPolarHBondContact O-CB 3.17Å; L98-F102 PolarHBondContact O-N 3.27Å; L99-F102 PolarHBondContact O-N 2.86Å; Q100-F102 VanDerWaalsContact C-N 3.33Å; Q100-F102 PolarHBondContact O-N 2.76Å; F102-F105 PolarHBondContact O-N 3.27Å; F102-C106 VanDerWaalsContact CE1-SG 3.58Å; F102-C106 WeakPolarHBondContact CZ-SG 3.12Å; F102-C106 WeakPolarHBondContact O-CB 3.24Å; F102-C106 PolarHBondContact O-N 2.72Å; F102-C106 PolarHBondContact O-SG 2.83Å; F102-L130 HydrophobicContact CD1-CD1 4.35Å; F102-L130 HydrophobicContact CD1-CD2 4.3Å; F102-L130 HydrophobicContact CE1-CB 4.39Å; F102-L130 HydrophobicContact CE1-CD1 4.45Å; F102-L130 HydrophobicContact CE1-CD2 4.38Å; F102-V132 HydrophobicContact CE1-CG2 4.15Å; F102-V132 HydrophobicContact CZ-CG2 4.19Å; F102-L164 HydrophobicContact CD2-CD2 4.37Å; F102-L164 HydrophobicContact CE2-CD1 4.14Å; F102-L164 HydrophobicContact CE2-CD2 3.82Å; F102-L164 HydrophobicContact CE2-CG 4.47Å; F102-L164 HydrophobicContact CZ-CD1 4.33Å; F102-F168 VanDerWaalsContact CA-CZ 3.42Å; F102-F168 HydrophobicContact CB-CE1 4.09Å; F102-F168 HydrophobicContact CB-CZ 4.04Å; F102-F168 HydrophobicContact CD2-CD2 4.05Å; F102-F168 AromaticContact CD2-CE2 3.9Å; F102-F168 HydrophobicContact CD2-CE2 3.9Å; F102-F168 HydrophobicContact CD2-CG 4.45Å; F102-F168 HydrophobicContact CD2-CZ 4.17Å; F102-L173 HydrophobicContact CD2-CD1 4.02Å; F102-F175 AromaticContact CE2-CE1 3.87Å; F102-F175 HydrophobicContact CE2-CE1 3.87Å; F102-F175 HydrophobicContact CE2-CZ 4.34Å; F102-F175 HydrophobicContact CZ-CE1 4.43Å; F102-V185 HydrophobicContact CE1-CB 4.33Å; F102-V185 HydrophobicContact CE1-CG1 4.37Å; F102-V185 HydrophobicContact CE1-CG2 4.32Å; F102-V185 HydrophobicContact CE2-CB 4.48Å; F102-V185 HydrophobicContact CE2-CG1 3.9Å; F102-V185 HydrophobicContact CE2-CG2 4.22Å; F102-V185 HydrophobicContact CZ-CB 3.9Å; F102-V185 HydrophobicContact CZ-CG1 3.8Å; F102-V185 HydrophobicContact CZ-CG2 3.56Å
103I98.8Very high98Very high42 Ų4263.5 Ų63.522%0.21533%0.326CS..Hα-helixtrans-62.3-48.5179.9-71.9164.3000110.2L99 Q100 F105 C106 L107 I123 F125 L130L99-I103 WeakPolarHBondContact O-CB 3.41Å; L99-I103 WeakPolarHBondContact O-CD1 3.46Å; L99-I103 WeakPolarHBondContact O-CG1 3.27Å; L99-I103 PolarHBondContact O-N 2.91Å; Q100-I103 PolarHBondContact O-N 3.48Å; I103-F105 VanDerWaalsContact C-N 3.34Å; I103-F105 PolarHBondContact O-N 3.28Å; I103-C106 WeakPolarHBondContact O-CB 3.43Å; I103-C106 PolarHBondContact O-N 3.13Å; I103-L107 HydrophobicContact CG2-CD1 3.9Å; I103-L107 HydrophobicContact CG2-CG 4.37Å; I103-L107 VanDerWaalsContact O-CG 3.31Å; I103-L107 WeakPolarHBondContact O-CG 3.42Å; I103-L107 PolarHBondContact O-N 3Å; I103-I123 HydrophobicContact CG2-CD1 4.07Å; I103-F125 HydrophobicContact CD1-CD2 4.48Å; I103-L130 HydrophobicContact CD1-CD2 3.99Å; I103-L130 HydrophobicContact CG1-CD2 3.73Å
104N98.8Very high98.1Very high83 Ų8367.3 Ų67.344%0.44434%0.344SS..Hα-helixtrans-62.4-42180-72.4-26.6000111.5Q100 D101 L107 N108Q100-N104 WeakPolarHBondContact O-CB 3.33Å; Q100-N104 PolarHBondContact O-N 2.85Å; Q100-N104 PolarHBondContact O-ND2 3.36Å; Q100-N104 VanDerWaalsContact O-ND2 3.16Å; D101-N104 PolarHBondContact O-N 2.7Å; N104-L107 PolarHBondContact O-N 2.95Å; N104-N108 WeakPolarHBondContact O-CB 3.45Å; N104-N108 VanDerWaalsContact O-CG 3.29Å; N104-N108 PolarHBondContact O-N 2.89Å; N104-N108 PolarHBondContact O-ND2 3.49Å; N104-N108 VanDerWaalsContact O-ND2 3.16Å
105F98.8Very high98.1Very high46 Ų4666.3 Ų66.320%0.20234%0.339CS..Hα-helixtrans-59.5-47.9173.9-171.1-80.3000111.1D101 F102 I103 L107 N108 Y109 V163 L164 E167 F168D101-F105 VanDerWaalsContact O-CB 3.3Å; D101-F105 WeakPolarHBondContact O-CB 3.33Å; D101-F105 PolarHBondContact O-N 3.01Å; F102-F105 PolarHBondContact O-N 3.27Å; I103-F105 VanDerWaalsContact C-N 3.34Å; I103-F105 PolarHBondContact O-N 3.28Å; F105-L107 PolarHBondContact O-N 2.82Å; F105-N108 PolarHBondContact O-N 3.19Å; F105-Y109 HydrophobicContact CE1-CD2 4.14Å; F105-Y109 WeakPolarHBondContact O-CB 3.07Å; F105-Y109 PolarHBondContact O-N 2.87Å; F105-V163 HydrophobicContact CE1-CG1 3.91Å; F105-V163 HydrophobicContact CZ-CG1 3.6Å; F105-L164 HydrophobicContact CD1-CD2 3.41Å; F105-L164 VanDerWaalsContact CD1-CD2 3.41Å; F105-L164 HydrophobicContact CE1-CD2 3.7Å; F105-L164 HydrophobicContact CE1-CG 4.46Å; F105-L164 HydrophobicContact CG-CD2 4.4Å; F105-E167 HydrophobicContact CD2-CG 3.72Å; F105-E167 HydrophobicContact CE2-CB 4.1Å; F105-E167 HydrophobicContact CE2-CG 3.54Å; F105-E167 HydrophobicContact CG-CG 4.43Å; F105-E167 HydrophobicContact CZ-CB 4.19Å; F105-E167 HydrophobicContact CZ-CG 4.13Å; F105-F168 HydrophobicContact CB-CE2 4.01Å; F105-F168 HydrophobicContact CB-CZ 3.98Å; F105-F168 HydrophobicContact CD1-CE2 4.3Å; F105-F168 HydrophobicContact CD2-CE2 4.46Å; F105-F168 HydrophobicContact CG-CE2 4Å; F105-F168 HydrophobicContact CG-CZ 4.38Å
106C98.7Very high98.1Very high0 Ų069.9 Ų69.90%036%0.357CS..Hα-helixtrans-60.2-45.7179.6-750000112.4F102 I103 Y109 M110 I123 F160F102-C106 VanDerWaalsContact CE1-SG 3.58Å; F102-C106 WeakPolarHBondContact CZ-SG 3.12Å; F102-C106 WeakPolarHBondContact O-CB 3.24Å; F102-C106 PolarHBondContact O-N 2.72Å; F102-C106 PolarHBondContact O-SG 2.83Å; I103-C106 WeakPolarHBondContact O-CB 3.43Å; I103-C106 PolarHBondContact O-N 3.13Å; C106-Y109 PolarHBondContact O-N 3.32Å; C106-M110 HydrophobicContact CB-CE 4.23Å; C106-M110 WeakPolarHBondContact O-CB 3.39Å; C106-M110 WeakPolarHBondContact O-CE 3.22Å; C106-M110 WeakPolarHBondContact O-CG 3.27Å; C106-M110 PolarHBondContact O-N 2.64Å; C106-I123 HydrophobicContact CB-CD1 3.64Å; C106-I123 HydrophobicContact CB-CG1 4.45Å; C106-F160 HydrophobicContact CB-CZ 4.15Å
107L98.7Very high98.1Very high81 Ų8169.9 Ų69.942%0.42435%0.353SS..Hα-helixtrans-60.6-46.8177.1-69.2172.5000111.3I103 N104 F105 Y109 M110 A111 I123I103-L107 HydrophobicContact CG2-CD1 3.9Å; I103-L107 HydrophobicContact CG2-CG 4.37Å; I103-L107 VanDerWaalsContact O-CG 3.31Å; I103-L107 WeakPolarHBondContact O-CG 3.42Å; I103-L107 PolarHBondContact O-N 3Å; N104-L107 PolarHBondContact O-N 2.95Å; F105-L107 PolarHBondContact O-N 2.82Å; L107-Y109 PolarHBondContact O-N 3.48Å; L107-M110 PolarHBondContact O-N 2.96Å; L107-A111 WeakPolarHBondContact O-CB 3.31Å; L107-A111 PolarHBondContact O-N 3.04Å; L107-I123 HydrophobicContact CD2-CD1 3.98Å; L107-I123 HydrophobicContact CG-CD1 3.94Å
108N98.6Very high98.1Very high105 Ų10565.7 Ų65.756%0.56133%0.332SS*.Hα-helixtrans-64.2-39.3178.4-76.7-32.1000112.8N104 F105N104-N108 WeakPolarHBondContact O-CB 3.45Å; N104-N108 VanDerWaalsContact O-CG 3.29Å; N104-N108 PolarHBondContact O-N 2.89Å; N104-N108 PolarHBondContact O-ND2 3.49Å; N104-N108 VanDerWaalsContact O-ND2 3.16Å; F105-N108 PolarHBondContact O-N 3.19Å
109Y98.4Very high98.1Very high59 Ų5969.3 Ų69.323%0.23134%0.344CS..Hα-helixtrans-67.1-50.1177-168.5-84.3000110.6F105 C106 L107 A111 K112 I113 F160 V163F105-Y109 HydrophobicContact CE1-CD2 4.14Å; F105-Y109 WeakPolarHBondContact O-CB 3.07Å; F105-Y109 PolarHBondContact O-N 2.87Å; C106-Y109 PolarHBondContact O-N 3.32Å; L107-Y109 PolarHBondContact O-N 3.48Å; Y109-A111 VanDerWaalsContact C-N 3.27Å; Y109-A111 PolarHBondContact O-N 3.29Å; Y109-K112 PolarHBondContact O-N 2.88Å; Y109-I113 HydrophobicContact CD1-CD1 3.77Å; Y109-I113 HydrophobicContact CD1-CG1 4.13Å; Y109-I113 HydrophobicContact CE1-CD1 3.69Å; Y109-I113 HydrophobicContact CE1-CG1 4.06Å; Y109-I113 PolarHBondContact O-N 2.74Å; Y109-F160 HydrophobicContact CD1-CB 4.32Å; Y109-F160 AromaticContact CD1-CD1 3.81Å; Y109-F160 HydrophobicContact CD1-CD1 3.81Å; Y109-F160 AromaticContact CD1-CD2 3.22Å; Y109-F160 HydrophobicContact CD1-CD2 3.22Å; Y109-F160 AromaticContact CD1-CE1 3.87Å; Y109-F160 HydrophobicContact CD1-CE1 3.87Å; Y109-F160 AromaticContact CD1-CE2 3.29Å; Y109-F160 HydrophobicContact CD1-CE2 3.29Å; Y109-F160 AromaticContact CD1-CG 3.52Å; Y109-F160 HydrophobicContact CD1-CG 3.52Å; Y109-F160 AromaticContact CD1-CZ 3.62Å; Y109-F160 HydrophobicContact CD1-CZ 3.62Å; Y109-F160 HydrophobicContact CD2-CD2 4.16Å; Y109-F160 HydrophobicContact CD2-CE2 4.19Å; Y109-F160 HydrophobicContact CE1-CB 3.69Å; Y109-F160 AromaticContact CE1-CD1 3.97Å; Y109-F160 HydrophobicContact CE1-CD1 3.97Å; Y109-F160 AromaticContact CE1-CD2 3.4Å; Y109-F160 HydrophobicContact CE1-CD2 3.4Å; Y109-F160 HydrophobicContact CE1-CE1 4.49Å; Y109-F160 AromaticContact CE1-CE2 3.99Å; Y109-F160 HydrophobicContact CE1-CE2 3.99Å; Y109-F160 AromaticContact CE1-CG 3.4Å; Y109-F160 HydrophobicContact CE1-CG 3.4Å; Y109-F160 VanDerWaalsContact CE1-CG 3.4Å; Y109-F160 HydrophobicContact CE1-CZ 4.5Å; Y109-F160 HydrophobicContact CE2-CD2 4.3Å; Y109-F160 AromaticContact CG-CD2 3.64Å; Y109-F160 HydrophobicContact CG-CD2 3.64Å; Y109-F160 AromaticContact CG-CE2 3.41Å; Y109-F160 HydrophobicContact CG-CE2 3.41Å; Y109-F160 VanDerWaalsContact CG-CE2 3.41Å; Y109-F160 HydrophobicContact CG-CG 4.38Å; Y109-F160 AromaticContact CG-CZ 3.98Å; Y109-F160 HydrophobicContact CG-CZ 3.98Å; Y109-F160 AromaticContact CZ-CD2 3.94Å; Y109-V163 HydrophobicContact CD2-CG1 4.24Å; Y109-V163 HydrophobicContact CE2-CB 4.07Å; Y109-V163 HydrophobicContact CE2-CG1 3.91Å; Y109-V163 HydrophobicContact CE2-CG2 4.06Å
110M98.1Very high98Very high9 Ų970.1 Ų70.14%0.04435%0.353CS..Hα-helixtrans-64.9-27.8179.7-72.4-171.5-70.500113.5C106 L107 K112 I113 K118 F122 I123 V132 F160C106-M110 HydrophobicContact CB-CE 4.23Å; C106-M110 WeakPolarHBondContact O-CB 3.39Å; C106-M110 WeakPolarHBondContact O-CE 3.22Å; C106-M110 WeakPolarHBondContact O-CG 3.27Å; C106-M110 PolarHBondContact O-N 2.64Å; L107-M110 PolarHBondContact O-N 2.96Å; M110-K112 PolarHBondContact O-N 3.02Å; M110-I113 HydrophobicContact CG-CD1 4.45Å; M110-I113 PolarHBondContact O-N 3.2Å; M110-K118 PolarHBondContact O-NZ 3.17Å; M110-F122 HydrophobicContact CE-CB 3.67Å; M110-F122 HydrophobicContact SD-CB 3.94Å; M110-I123 HydrophobicContact CE-CD1 4.09Å; M110-I123 HydrophobicContact CE-CG1 3.76Å; M110-V132 HydrophobicContact CE-CG1 4.07Å; M110-V132 HydrophobicContact SD-CG1 3.98Å; M110-F160 HydrophobicContact CG-CD1 4.46Å; M110-F160 HydrophobicContact CG-CE1 3.45Å; M110-F160 VanDerWaalsContact CG-CE1 3.45Å; M110-F160 HydrophobicContact CG-CZ 3.88Å; M110-F160 HydrophobicContact SD-CE1 4.05Å
111A97.9Very high98Very high77 Ų7768.4 Ų68.464%0.63635%0.35SS*.Hα-helixtrans-60.2-30.2173.300000112.5L107 Y109L107-A111 WeakPolarHBondContact O-CB 3.31Å; L107-A111 PolarHBondContact O-N 3.04Å; Y109-A111 VanDerWaalsContact C-N 3.27Å; Y109-A111 PolarHBondContact O-N 3.29Å
112K97.2Very high98Very high180 Ų18067.1 Ų67.178%0.78334%0.34SS*.Hα-helixtrans-89-16.9-178-60.7170.6-173.4174.50113.7Y109 M110 Q114Y109-K112 PolarHBondContact O-N 2.88Å; M110-K112 PolarHBondContact O-N 3.02Å; K112-Q114 PolarHBondContact O-N 2.96Å
113I95Very high98Very high27 Ų2768.8 Ų68.814%0.13835%0.349CS..  trans-77.8119.3176.6-53174.4000108.8Y109 M110 L115 K118 P134 I156 F160Y109-I113 HydrophobicContact CD1-CD1 3.77Å; Y109-I113 HydrophobicContact CD1-CG1 4.13Å; Y109-I113 HydrophobicContact CE1-CD1 3.69Å; Y109-I113 HydrophobicContact CE1-CG1 4.06Å; Y109-I113 PolarHBondContact O-N 2.74Å; M110-I113 HydrophobicContact CG-CD1 4.45Å; M110-I113 PolarHBondContact O-N 3.2Å; I113-L115 HydrophobicContact CG2-CD2 3.66Å; I113-L115 HydrophobicContact CG2-CG 3.9Å; I113-K118 WeakPolarHBondContact O-CE 3.41Å; I113-K118 PolarHBondContact O-NZ 3.19Å; I113-P134 HydrophobicContact CD1-CB 4.44Å; I113-I156 HydrophobicContact CD1-CG2 4.17Å; I113-I156 HydrophobicContact CG2-CG2 4.28Å; I113-F160 HydrophobicContact CD1-CD1 4.42Å
114Q96.9Very high97.9Very high173 Ų17369.3 Ų69.381%0.80835%0.35SS*.  trans-89.5123.3168.7-169.362.836.200109.4K112K112-Q114 PolarHBondContact O-N 2.96Å
115L97.9Very high97.8Very high9 Ų970.2 Ų70.25%0.04735%0.351CS..  trans-117.8156.3176.1-61.7179.1000109.5I113 R117 K118 P134 I135 F147 L150 I156I113-L115 HydrophobicContact CG2-CD2 3.66Å; I113-L115 HydrophobicContact CG2-CG 3.9Å; L115-R117 WeakPolarHBondContact CB-O 3.39Å; L115-R117 PolarHBondContact O-N 3.21Å; L115-K118 HydrophobicContact CB-CG 4.32Å; L115-K118 HydrophobicContact CD1-CG 4.3Å; L115-P134 HydrophobicContact CD1-CB 4.06Å; L115-P134 WeakPolarHBondContact CD1-O 3.26Å; L115-I135 HydrophobicContact CD1-CB 4.28Å; L115-F147 HydrophobicContact CD1-CD2 4.22Å; L115-F147 HydrophobicContact CD1-CE2 3.89Å; L115-F147 HydrophobicContact CD2-CE2 4.15Å; L115-L150 HydrophobicContact CD2-CD2 4.13Å; L115-I156 HydrophobicContact CD2-CD1 3.65Å
116P97.8Very high97.4Very high106 Ų10672 Ų7269%0.68836%0.356SS*.SBendtrans-55.9-35.3171.2-25.434.8000112.4L150P116-L150 HydrophobicContact CG-CD2 4.03Å
117R97.8Very high97Very high91 Ų9174.4 Ų74.434%0.34337%0.369SS..  trans-141.6138.9178.2-63.2176.7-178.5155.26.9109.9L115 E146L115-R117 WeakPolarHBondContact CB-O 3.39Å; L115-R117 PolarHBondContact O-N 3.21Å; R117-E146 IonicContact CZ-OE1 3.18Å; R117-E146 IonicContact CZ-OE2 3.98Å; R117-E146 IonicContact NE-OE2 3.22Å; R117-E146 IonicContact NH1-OE1 2.91Å; R117-E146 PolarHBondContact NH1-OE1 3.32Å; R117-E146 IonicContact NH1-OE2 2.96Å; R117-E146 PolarHBondContact NH1-OE2 3.46Å; R117-E146 IonicContact NH2-OE1 2.67Å; R117-E146 IonicContact NH2-OE2 3.48Å
118K98.6Very high96.6Very high71 Ų7170.8 Ų70.831%0.30935%0.351SS..  trans-123.3147.4162.5-70.9-172.2-177.71780108.7M110 I113 L115 F122M110-K118 PolarHBondContact O-NZ 3.17Å; I113-K118 WeakPolarHBondContact O-CE 3.41Å; I113-K118 PolarHBondContact O-NZ 3.19Å; L115-K118 HydrophobicContact CB-CG 4.32Å; L115-K118 HydrophobicContact CD1-CG 4.3Å; K118-F122 HydrophobicContact CB-CE1 4.08Å; K118-F122 HydrophobicContact CB-CZ 4.11Å; K118-F122 HydrophobicContact CD-CE1 4.36Å; K118-F122 HydrophobicContact CD-CZ 4.5Å; K118-F122 HydrophobicContact CG-CE1 4.35Å
119R98.3Very high96.5Very high102 Ų10267.7 Ų67.739%0.38533%0.334SS..  trans-122.5-124.4178.9-63.8-74.9176.8-94.89.5108.4F122 I135 C139 E143R119-F122 WeakPolarHBondContact O-CZ 3.36Å; R119-I135 PolarHBondContact N-O 2.97Å; R119-C139 HydrophobicContact CB-CB 4.45Å; R119-C139 HydrophobicContact CG-CB 3.92Å; R119-E143 IonicContact CZ-OE1 2.83Å; R119-E143 VanDerWaalsContact CZ-OE1 3.26Å; R119-E143 IonicContact CZ-OE2 3.48Å; R119-E143 VanDerWaalsContact NE-CD 3.27Å; R119-E143 IonicContact NE-OE1 2.72Å; R119-E143 PolarHBondContact NE-OE1 2.94Å; R119-E143 VanDerWaalsContact NE-OE1 3.13Å; R119-E143 IonicContact NE-OE2 3.2Å; R119-E143 PolarHBondContact NE-OE2 3.5Å; R119-E143 VanDerWaalsContact NH2-CD 3.31Å; R119-E143 IonicContact NH2-OE1 3.23Å; R119-E143 PolarHBondContact NH2-OE1 3.35Å; R119-E143 IonicContact NH2-OE2 3.89Å
120G96.9Very high96.4Very high20 Ų2064.9 Ų64.921%0.20632%0.323CS..SBendtrans-140.7179.5177.600000111.5G136 R137 S138G120-G136 CarbonylContact O-C 3.52Å; G120-G136 WeakPolarHBondContact O-CA 3.4Å; G120-R137 PolarHBondContact O-N 3.01Å; G120-S138 WeakPolarHBondContact CA-OG 3.19Å; G120-S138 PolarHBondContact N-OG 2.87Å; G120-S138 PolarHBondContact O-N 2.84Å; G120-S138 PolarHBondContact O-OG 3.47Å
121T97.9Very high96.3Very high68 Ų6864.6 Ų64.642%0.41732%0.322SS..  trans5858.3-174-44.60000110.9E124 R137T121-E124 HydrophobicContact CG2-CB 3.93Å; T121-E124 HydrophobicContact CG2-CG 4.42Å; T121-R137 HydrophobicContact CG2-CB 4.13Å; T121-R137 HydrophobicContact CG2-CG 4.4Å; T121-R137 PolarHBondContact O-N 2.71Å
122F98.4Very high96.4Very high59 Ų5961 Ų6126%0.25929%0.291SS..SBendtrans-73.7-30.4177.2-57.2-73.3000112.5M110 K118 R119 V132 S133M110-F122 HydrophobicContact CE-CB 3.67Å; M110-F122 HydrophobicContact SD-CB 3.94Å; K118-F122 HydrophobicContact CB-CE1 4.08Å; K118-F122 HydrophobicContact CB-CZ 4.11Å; K118-F122 HydrophobicContact CD-CE1 4.36Å; K118-F122 HydrophobicContact CD-CZ 4.5Å; K118-F122 HydrophobicContact CG-CE1 4.35Å; R119-F122 WeakPolarHBondContact O-CZ 3.36Å; F122-V132 CarbonylContact O-C 3.59Å; F122-V132 WeakPolarHBondContact O-CA 3.42Å; F122-S133 WeakPolarHBondContact CA-O 3.39Å; F122-S133 WeakPolarHBondContact CD1-O 3.47Å; F122-S133 PolarHBondContact O-N 3.22Å
123I98.6Very high96.4Very high36 Ų3652.4 Ų52.419%0.18525%0.254CS..EExtended strand (participates in β ladder)trans-127.8119.9172.3-54.3177.7000105.6I103 C106 L107 M110 L130 N131I103-I123 HydrophobicContact CG2-CD1 4.07Å; C106-I123 HydrophobicContact CB-CD1 3.64Å; C106-I123 HydrophobicContact CB-CG1 4.45Å; L107-I123 HydrophobicContact CD2-CD1 3.98Å; L107-I123 HydrophobicContact CG-CD1 3.94Å; M110-I123 HydrophobicContact CE-CD1 4.09Å; M110-I123 HydrophobicContact CE-CG1 3.76Å; I123-L130 HydrophobicContact CG2-CB 4.41Å; I123-L130 HydrophobicContact CG2-CD2 3.73Å; I123-N131 CarbonylContact C-O 3.42Å; I123-N131 WeakPolarHBondContact CA-O 3.22Å
124E96.9Very high96.6Very high53 Ų5351.2 Ų51.225%0.24825%0.248CC..EExtended strand (participates in β ladder)trans-108.3115.7173.4-179.1-178.2-10000107.9T121 R126 L130 N131 R137T121-E124 HydrophobicContact CG2-CB 3.93Å; T121-E124 HydrophobicContact CG2-CG 4.42Å; E124-R126 HydrophobicContact CG-CG 4.35Å; E124-R126 IonicContact OE2-CZ 3.34Å; E124-R126 IonicContact OE2-NE 2.66Å; E124-R126 PolarHBondContact OE2-NE 2.93Å; E124-R126 IonicContact OE2-NH2 2.94Å; E124-R126 PolarHBondContact OE2-NH2 3.36Å; E124-L130 WeakPolarHBondContact O-CA 3.47Å; E124-N131 HydrophobicContact CB-CB 4.26Å; E124-N131 PolarHBondContact N-O 2.78Å; E124-N131 PolarHBondContact O-N 3.4Å; E124-R137 WeakPolarHBondContact OE1-CD 3.4Å; E124-R137 IonicContact OE1-CZ 2.63Å; E124-R137 IonicContact OE1-NE 3.77Å; E124-R137 PolarHBondContact OE1-NE 3.45Å; E124-R137 IonicContact OE1-NH2 3.19Å; E124-R137 IonicContact OE2-CZ 3.14Å; E124-R137 VanDerWaalsContact OE2-CZ 3.23Å; E124-R137 IonicContact OE2-NE 2.72Å; E124-R137 PolarHBondContact OE2-NE 2.72Å; E124-R137 IonicContact OE2-NH1 2.71Å; E124-R137 IonicContact OE2-NH2 3.73Å; E124-R137 PolarHBondContact OE2-NH2 3.5Å
125F95.5Very high96.7Very high102 Ų10243.2 Ų43.245%0.44721%0.211SC..EExtended strand (participates in β ladder)trans-82.8119.6176.8-157-75.9000109.1I90 Q91 L99 I103 L130I90-F125 HydrophobicContact CG2-CE1 3.65Å; I90-F125 HydrophobicContact CG2-CE2 4.36Å; I90-F125 HydrophobicContact CG2-CZ 3.5Å; I90-F125 VanDerWaalsContact CG2-CZ 3.5Å; Q91-F125 HydrophobicContact CB-CZ 4.2Å; L99-F125 HydrophobicContact CD1-CE2 4.07Å; L99-F125 HydrophobicContact CD1-CZ 3.94Å; I103-F125 HydrophobicContact CD1-CD2 4.48Å; F125-L130 HydrophobicContact CD2-CD2 3.75Å; F125-L130 HydrophobicContact CD2-CG 4.11Å; F125-L130 HydrophobicContact CE2-CD2 4.11Å; F125-L130 HydrophobicContact CE2-CG 4.35Å
126R91.3Very high96.7Very high85 Ų8542.8 Ų42.832%0.32121%0.208SC..  trans-112.9170.6173.6-57.8-174.9-177.8160.57.7109.3E124 M129E124-R126 HydrophobicContact CG-CG 4.35Å; E124-R126 IonicContact OE2-CZ 3.34Å; E124-R126 IonicContact OE2-NE 2.66Å; E124-R126 PolarHBondContact OE2-NE 2.93Å; E124-R126 IonicContact OE2-NH2 2.94Å; E124-R126 PolarHBondContact OE2-NH2 3.36Å; R126-M129 CarbonylContact C-O 3.58Å; R126-M129 WeakPolarHBondContact CA-O 3.41Å; R126-M129 HydrophobicContact CB-CG 4.06Å; R126-M129 WeakPolarHBondContact CB-O 3.16Å; R126-M129 HydrophobicContact CG-CG 4.48Å; R126-M129 PolarHBondContact N-O 3.33Å
127N89.9Confident96.7Very high49 Ų4941 Ų4126%0.26219%0.188SC..SBendtrans-62.2-47.4-179.6174.470.6000111.6E73 Q88 S89 I90E73-N127 VanDerWaalsContact OE2-CB 3.27Å; E73-N127 WeakPolarHBondContact OE2-CB 3.3Å; E73-N127 PolarHBondContact OE2-ND2 2.84Å; Q88-N127 PolarHBondContact O-ND2 3.42Å; Q88-N127 PolarHBondContact O-OD1 2.78Å; S89-N127 CarbonylContact C-O 3.49Å; S89-N127 WeakPolarHBondContact CA-O 3.43Å; S89-N127 VanDerWaalsContact CB-OD1 3.29Å; S89-N127 WeakPolarHBondContact CB-OD1 3.28Å; I90-N127 PolarHBondContact N-O 3.43Å
128G91.8Very high96.7Very high5 Ų540 Ų405%0.05220%0.196CC..SBendtrans-89.6-10.7179.600000118.1E73 W190E73-G128 PolarHBondContact OE2-N 3.13Å; G128-W190 WeakPolarHBondContact O-CZ3 3.5Å
129M94.4Very high96.6Very high40 Ų4037.5 Ų37.520%0.19719%0.187CC..  trans-164.3167-166.460.8175.862.600112.5R126 D184 V185 F186R126-M129 CarbonylContact C-O 3.58Å; R126-M129 WeakPolarHBondContact CA-O 3.41Å; R126-M129 HydrophobicContact CB-CG 4.06Å; R126-M129 WeakPolarHBondContact CB-O 3.16Å; R126-M129 HydrophobicContact CG-CG 4.48Å; R126-M129 PolarHBondContact N-O 3.33Å; M129-D184 HydrophobicContact CE-CB 4.46Å; M129-D184 HydrophobicContact SD-CB 3.82Å; M129-D184 VanDerWaalsContact SD-CG 3.56Å; M129-V185 CarbonylContact C-O 3.58Å; M129-V185 VanDerWaalsContact CA-O 3.31Å; M129-V185 WeakPolarHBondContact CA-O 3.4Å; M129-V185 VanDerWaalsContact CB-O 3.29Å; M129-V185 WeakPolarHBondContact CB-O 3.26Å; M129-F186 HydrophobicContact CB-CB 3.99Å
130L96.8Very high96.6Very high1 Ų135.2 Ų35.21%0.00519%0.186CC..EExtended strand (participates in β ladder)trans-105.5134.8159.5-59.398.3000109.5I90 L99 F102 I103 I123 E124 F125 V185I90-L130 HydrophobicContact CD1-CD1 3.62Å; L99-L130 HydrophobicContact CD2-CD1 3.87Å; F102-L130 HydrophobicContact CD1-CD1 4.35Å; F102-L130 HydrophobicContact CD1-CD2 4.3Å; F102-L130 HydrophobicContact CE1-CB 4.39Å; F102-L130 HydrophobicContact CE1-CD1 4.45Å; F102-L130 HydrophobicContact CE1-CD2 4.38Å; I103-L130 HydrophobicContact CD1-CD2 3.99Å; I103-L130 HydrophobicContact CG1-CD2 3.73Å; I123-L130 HydrophobicContact CG2-CB 4.41Å; I123-L130 HydrophobicContact CG2-CD2 3.73Å; E124-L130 WeakPolarHBondContact O-CA 3.47Å; F125-L130 HydrophobicContact CD2-CD2 3.75Å; F125-L130 HydrophobicContact CD2-CG 4.11Å; F125-L130 HydrophobicContact CE2-CD2 4.11Å; F125-L130 HydrophobicContact CE2-CG 4.35Å; L130-V185 PolarHBondContact N-O 2.65Å; L130-V185 PolarHBondContact O-N 2.78Å
131N97.3Very high96.6Very high3 Ų340 Ų402%0.01620%0.203CC..EExtended strand (participates in β ladder)trans-101.1122.7168.5179.9-94.1000109I123 E124 R137 S182 D184I123-N131 CarbonylContact C-O 3.42Å; I123-N131 WeakPolarHBondContact CA-O 3.22Å; E124-N131 HydrophobicContact CB-CB 4.26Å; E124-N131 PolarHBondContact N-O 2.78Å; E124-N131 PolarHBondContact O-N 3.4Å; N131-R137 VanDerWaalsContact OD1-CD 3.29Å; N131-R137 WeakPolarHBondContact OD1-CD 3.3Å; N131-R137 PolarHBondContact OD1-NH1 3.35Å; N131-S182 VanDerWaalsContact ND2-CB 3.33Å; N131-S182 WeakPolarHBondContact ND2-CB 3.23Å; N131-S182 PolarHBondContact ND2-OG 3.13Å; N131-S182 VanDerWaalsContact OD1-CB 3.28Å; N131-S182 WeakPolarHBondContact OD1-CB 3.4Å; N131-D184 WeakPolarHBondContact CB-OD1 3.4Å; N131-D184 PolarHBondContact ND2-OD1 2.7Å
132V98.6Very high96.6Very high0 Ų041.4 Ų41.40%021%0.211CC..EExtended strand (participates in β ladder)trans-110.1126.9-179-176.70000109.7F102 M110 F122 F160 S182 F183 V185F102-V132 HydrophobicContact CE1-CG2 4.15Å; F102-V132 HydrophobicContact CZ-CG2 4.19Å; M110-V132 HydrophobicContact CE-CG1 4.07Å; M110-V132 HydrophobicContact SD-CG1 3.98Å; F122-V132 CarbonylContact O-C 3.59Å; F122-V132 WeakPolarHBondContact O-CA 3.42Å; V132-F160 HydrophobicContact CG1-CE1 3.92Å; V132-F160 HydrophobicContact CG1-CZ 4.36Å; V132-S182 CarbonylContact O-C 3.49Å; V132-S182 WeakPolarHBondContact O-CA 3.39Å; V132-S182 VanDerWaalsContact O-CB 3.24Å; V132-S182 WeakPolarHBondContact O-CB 3.45Å; V132-F183 HydrophobicContact CB-CD2 4.22Å; V132-F183 HydrophobicContact CB-CE1 4.03Å; V132-F183 HydrophobicContact CB-CE2 3.67Å; V132-F183 HydrophobicContact CB-CZ 3.57Å; V132-F183 HydrophobicContact CG1-CE1 3.98Å; V132-F183 HydrophobicContact CG1-CE2 4.18Å; V132-F183 HydrophobicContact CG1-CZ 3.57Å; V132-F183 HydrophobicContact CG2-CE2 4.04Å; V132-F183 HydrophobicContact CG2-CZ 4.28Å; V132-F183 PolarHBondContact N-O 3Å; V132-F183 PolarHBondContact O-N 3.17Å; V132-V185 HydrophobicContact CG2-CG2 4.49Å
133S98.5Very high96.6Very high0 Ų039.8 Ų39.80%020%0.204CC..  trans-131.3112.1-178.9-176.10000111.2F122 I135 G136 I181F122-S133 WeakPolarHBondContact CA-O 3.39Å; F122-S133 WeakPolarHBondContact CD1-O 3.47Å; F122-S133 PolarHBondContact O-N 3.22Å; S133-I135 VanDerWaalsContact C-N 3.34Å; S133-I135 PolarHBondContact O-N 3.49Å; S133-G136 PolarHBondContact O-N 2.84Å; S133-G136 PolarHBondContact OG-N 3Å; S133-I181 WeakPolarHBondContact CA-O 3.49Å; S133-I181 WeakPolarHBondContact CB-O 3.38Å; S133-I181 PolarHBondContact OG-O 3.11Å
134P98.6Very high96.6Very high2 Ų241.5 Ų41.51%0.01321%0.209CC..SBendtrans-59.9-38179.8-27.536.2000114.6I113 L115 F147 I156 R157 F160I113-P134 HydrophobicContact CD1-CB 4.44Å; L115-P134 HydrophobicContact CD1-CB 4.06Å; L115-P134 WeakPolarHBondContact CD1-O 3.26Å; P134-F147 HydrophobicContact CB-CE2 4.04Å; P134-F147 HydrophobicContact CB-CZ 3.96Å; P134-F147 HydrophobicContact CG-CZ 4.05Å; P134-I156 HydrophobicContact CB-CG2 4.4Å; P134-I156 HydrophobicContact CG-CG2 4.34Å; P134-R157 HydrophobicContact CG-CG 4.29Å; P134-F160 HydrophobicContact CG-CD1 4.29Å
135I98.5Very high96.6Very high5 Ų542.3 Ų42.33%0.02621%0.213CC..SBendtrans-75.8-28174.1-178.5163.3000112.4L115 R119 S133 C139 E143 F147 I181L115-I135 HydrophobicContact CD1-CB 4.28Å; R119-I135 PolarHBondContact N-O 2.97Å; S133-I135 VanDerWaalsContact C-N 3.34Å; S133-I135 PolarHBondContact O-N 3.49Å; I135-C139 HydrophobicContact CD1-CB 4.05Å; I135-C139 HydrophobicContact CG1-CB 4.08Å; I135-E143 HydrophobicContact CD1-CB 4.14Å; I135-F147 HydrophobicContact CB-CB 4.31Å; I135-F147 HydrophobicContact CB-CD2 3.66Å; I135-F147 HydrophobicContact CB-CE2 4.12Å; I135-F147 HydrophobicContact CB-CG 3.91Å; I135-F147 HydrophobicContact CD1-CB 3.68Å; I135-F147 HydrophobicContact CD1-CD2 4.38Å; I135-F147 HydrophobicContact CD1-CG 4.25Å; I135-F147 HydrophobicContact CG2-CB 4.14Å; I135-F147 HydrophobicContact CG2-CD1 3.94Å; I135-F147 HydrophobicContact CG2-CD2 3.92Å; I135-F147 HydrophobicContact CG2-CE1 4.35Å; I135-F147 HydrophobicContact CG2-CE2 4.33Å; I135-F147 HydrophobicContact CG2-CG 3.69Å; I135-I181 HydrophobicContact CG2-CB 3.79Å; I135-I181 HydrophobicContact CG2-CG2 3.82Å
136G98.2Very high96.8Very high0 Ų040.9 Ų40.90%021%0.207CC..  trans93.3138.1-172.900000112.3G120 S133 S138 C139G120-G136 CarbonylContact O-C 3.52Å; G120-G136 WeakPolarHBondContact O-CA 3.4Å; S133-G136 PolarHBondContact O-N 2.84Å; S133-G136 PolarHBondContact OG-N 3Å; G136-S138 VanDerWaalsContact C-N 3.26Å; G136-S138 PolarHBondContact O-N 2.84Å; G136-C139 PolarHBondContact O-N 2.88Å
137R97.2Very high97.1Very high68 Ų6837.2 Ų37.226%0.25719%0.193SC..THydrogen-bonded Turntrans-68-19.9-174.2-64.1176.565770.8114.6G120 T121 E124 N131 C139G120-R137 PolarHBondContact O-N 3.01Å; T121-R137 HydrophobicContact CG2-CB 4.13Å; T121-R137 HydrophobicContact CG2-CG 4.4Å; T121-R137 PolarHBondContact O-N 2.71Å; E124-R137 WeakPolarHBondContact OE1-CD 3.4Å; E124-R137 IonicContact OE1-CZ 2.63Å; E124-R137 IonicContact OE1-NE 3.77Å; E124-R137 PolarHBondContact OE1-NE 3.45Å; E124-R137 IonicContact OE1-NH2 3.19Å; E124-R137 IonicContact OE2-CZ 3.14Å; E124-R137 VanDerWaalsContact OE2-CZ 3.23Å; E124-R137 IonicContact OE2-NE 2.72Å; E124-R137 PolarHBondContact OE2-NE 2.72Å; E124-R137 IonicContact OE2-NH1 2.71Å; E124-R137 IonicContact OE2-NH2 3.73Å; E124-R137 PolarHBondContact OE2-NH2 3.5Å; N131-R137 VanDerWaalsContact OD1-CD 3.29Å; N131-R137 WeakPolarHBondContact OD1-CD 3.3Å; N131-R137 PolarHBondContact OD1-NH1 3.35Å; R137-C139 PolarHBondContact O-N 3Å
138S97.7Very high97.5Very high72 Ų7238.5 Ų38.550%0.50320%0.195SC..THydrogen-bonded Turntrans-79.916.8177.463.20000114G120 G136G120-S138 WeakPolarHBondContact CA-OG 3.19Å; G120-S138 PolarHBondContact N-OG 2.87Å; G120-S138 PolarHBondContact O-N 2.84Å; G120-S138 PolarHBondContact O-OG 3.47Å; G136-S138 VanDerWaalsContact C-N 3.26Å; G136-S138 PolarHBondContact O-N 2.84Å
139C98Very high97.8Very high18 Ų1843.5 Ų43.512%0.12222%0.217CC..  trans-72.7152.2173.273.80000112.9R119 I135 G136 R137 E143R119-C139 HydrophobicContact CB-CB 4.45Å; R119-C139 HydrophobicContact CG-CB 3.92Å; I135-C139 HydrophobicContact CD1-CB 4.05Å; I135-C139 HydrophobicContact CG1-CB 4.08Å; G136-C139 PolarHBondContact O-N 2.88Å; R137-C139 PolarHBondContact O-N 3Å; C139-E143 VanDerWaalsContact CA-OE2 3.25Å; C139-E143 WeakPolarHBondContact CA-OE2 3.5Å; C139-E143 HydrophobicContact CB-CB 3.87Å; C139-E143 WeakPolarHBondContact CB-OE2 3.38Å
140S98.1Very high98Very high53 Ų5342.4 Ų42.437%0.37121%0.212SC..  trans-70166.9173.175.10000111.7V142 E143 R144S140-V142 VanDerWaalsContact C-N 3.27Å; S140-V142 PolarHBondContact O-N 3.15Å; S140-E143 PolarHBondContact N-OE2 3.42Å; S140-E143 PolarHBondContact O-N 3.31Å; S140-E143 VanDerWaalsContact OG-CD 3.24Å; S140-E143 VanDerWaalsContact OG-CG 3.23Å; S140-E143 WeakPolarHBondContact OG-CG 3.32Å; S140-E143 PolarHBondContact OG-N 3.05Å; S140-R144 WeakPolarHBondContact O-CB 3.43Å; S140-R144 PolarHBondContact O-N 2.92Å
141Q96.4Very high98.1Very high122 Ų12242.7 Ų42.757%0.5721%0.214SC*.Hα-helixtrans-62.2-35.6176.3-176.158.535.200112.4R144 Q145Q141-R144 WeakPolarHBondContact O-CB 3.39Å; Q141-R144 PolarHBondContact O-N 3.47Å; Q141-Q145 PolarHBondContact O-N 2.87Å; Q141-Q145 VanDerWaalsContact O-N 3.13Å
142V98.1Very high98.1Very high97 Ų9746.4 Ų46.459%0.58823%0.231SC*.Hα-helixtrans-65.4-46.9176.1177.20000110.1S140 R144 Q145 E146S140-V142 VanDerWaalsContact C-N 3.27Å; S140-V142 PolarHBondContact O-N 3.15Å; V142-R144 VanDerWaalsContact C-N 3.31Å; V142-R144 PolarHBondContact O-N 3.35Å; V142-Q145 PolarHBondContact O-N 2.9Å; V142-Q145 VanDerWaalsContact O-N 3.17Å; V142-E146 WeakPolarHBondContact O-CG 3.23Å; V142-E146 PolarHBondContact O-N 3.19Å
143E98.5Very high98.1Very high24 Ų2454.6 Ų54.611%0.11226%0.262CS..Hα-helixtrans-63.5-36.5177.5-69.5163.5-172.900112.7R119 I135 C139 S140 Q145 E146 F147R119-E143 IonicContact CZ-OE1 2.83Å; R119-E143 VanDerWaalsContact CZ-OE1 3.26Å; R119-E143 IonicContact CZ-OE2 3.48Å; R119-E143 VanDerWaalsContact NE-CD 3.27Å; R119-E143 IonicContact NE-OE1 2.72Å; R119-E143 PolarHBondContact NE-OE1 2.94Å; R119-E143 VanDerWaalsContact NE-OE1 3.13Å; R119-E143 IonicContact NE-OE2 3.2Å; R119-E143 PolarHBondContact NE-OE2 3.5Å; R119-E143 VanDerWaalsContact NH2-CD 3.31Å; R119-E143 IonicContact NH2-OE1 3.23Å; R119-E143 PolarHBondContact NH2-OE1 3.35Å; R119-E143 IonicContact NH2-OE2 3.89Å; I135-E143 HydrophobicContact CD1-CB 4.14Å; C139-E143 VanDerWaalsContact CA-OE2 3.25Å; C139-E143 WeakPolarHBondContact CA-OE2 3.5Å; C139-E143 HydrophobicContact CB-CB 3.87Å; C139-E143 WeakPolarHBondContact CB-OE2 3.38Å; S140-E143 PolarHBondContact N-OE2 3.42Å; S140-E143 PolarHBondContact O-N 3.31Å; S140-E143 VanDerWaalsContact OG-CD 3.24Å; S140-E143 VanDerWaalsContact OG-CG 3.23Å; S140-E143 WeakPolarHBondContact OG-CG 3.32Å; S140-E143 PolarHBondContact OG-N 3.05Å; E143-Q145 VanDerWaalsContact C-N 3.34Å; E143-E146 PolarHBondContact O-N 3.49Å; E143-F147 WeakPolarHBondContact O-CB 3.49Å; E143-F147 PolarHBondContact O-N 2.87Å
144R98.2Very high98Very high73 Ų7358.6 Ų58.628%0.27528%0.28SS..Hα-helixtrans-59.8-44.3173.5165.9173.3-73.4-156.93.6111.4S140 Q141 V142 Y148 Q180 I181S140-R144 WeakPolarHBondContact O-CB 3.43Å; S140-R144 PolarHBondContact O-N 2.92Å; Q141-R144 WeakPolarHBondContact O-CB 3.39Å; Q141-R144 PolarHBondContact O-N 3.47Å; V142-R144 VanDerWaalsContact C-N 3.31Å; V142-R144 PolarHBondContact O-N 3.35Å; R144-Y148 WeakPolarHBondContact O-CB 3.25Å; R144-Y148 PolarHBondContact O-N 2.67Å; R144-Q180 HydrophobicContact CG-CB 3.73Å; R144-Q180 HydrophobicContact CG-CG 4.43Å; R144-Q180 VanDerWaalsContact CG-OE1 3.31Å; R144-I181 HydrophobicContact CB-CG2 3.94Å; R144-I181 HydrophobicContact CG-CG2 3.67Å
145Q97.8Very high98Very high70 Ų7062.1 Ų62.133%0.32730%0.296SS..Hα-helixtrans-67.5-45.7178.4-17658.636.900111.6Q141 V142 E143 F147 Y148 E149Q141-Q145 PolarHBondContact O-N 2.87Å; Q141-Q145 VanDerWaalsContact O-N 3.13Å; V142-Q145 PolarHBondContact O-N 2.9Å; V142-Q145 VanDerWaalsContact O-N 3.17Å; E143-Q145 VanDerWaalsContact C-N 3.34Å; Q145-F147 VanDerWaalsContact C-N 3.34Å; Q145-F147 PolarHBondContact O-N 3.4Å; Q145-Y148 WeakPolarHBondContact O-CB 3.23Å; Q145-Y148 PolarHBondContact O-N 2.77Å; Q145-Y148 VanDerWaalsContact O-N 3.15Å; Q145-E149 PolarHBondContact NE2-OE1 3.32Å; Q145-E149 PolarHBondContact O-N 3.27Å
146E98.3Very high98Very high72 Ų7262.6 Ų62.634%0.33630%0.298SS..Hα-helixtrans-58.6-44.4176-70.3172-168.800112.1R117 V142 E143 Y148 E149 L150R117-E146 IonicContact CZ-OE1 3.18Å; R117-E146 IonicContact CZ-OE2 3.98Å; R117-E146 IonicContact NE-OE2 3.22Å; R117-E146 IonicContact NH1-OE1 2.91Å; R117-E146 PolarHBondContact NH1-OE1 3.32Å; R117-E146 IonicContact NH1-OE2 2.96Å; R117-E146 PolarHBondContact NH1-OE2 3.46Å; R117-E146 IonicContact NH2-OE1 2.67Å; R117-E146 IonicContact NH2-OE2 3.48Å; V142-E146 WeakPolarHBondContact O-CG 3.23Å; V142-E146 PolarHBondContact O-N 3.19Å; E143-E146 PolarHBondContact O-N 3.49Å; E146-Y148 VanDerWaalsContact C-N 3.34Å; E146-E149 PolarHBondContact O-N 3.32Å; E146-L150 WeakPolarHBondContact O-CB 3.43Å; E146-L150 PolarHBondContact O-N 3.38Å
147F98.6Very high98Very high7 Ų762.9 Ų62.93%0.03130%0.299CS..Hα-helixtrans-64.1-40.5175.8177.7-94000111.8L115 P134 I135 E143 Q145 E149 L150 D151 I156 R157 I181L115-F147 HydrophobicContact CD1-CD2 4.22Å; L115-F147 HydrophobicContact CD1-CE2 3.89Å; L115-F147 HydrophobicContact CD2-CE2 4.15Å; P134-F147 HydrophobicContact CB-CE2 4.04Å; P134-F147 HydrophobicContact CB-CZ 3.96Å; P134-F147 HydrophobicContact CG-CZ 4.05Å; I135-F147 HydrophobicContact CB-CB 4.31Å; I135-F147 HydrophobicContact CB-CD2 3.66Å; I135-F147 HydrophobicContact CB-CE2 4.12Å; I135-F147 HydrophobicContact CB-CG 3.91Å; I135-F147 HydrophobicContact CD1-CB 3.68Å; I135-F147 HydrophobicContact CD1-CD2 4.38Å; I135-F147 HydrophobicContact CD1-CG 4.25Å; I135-F147 HydrophobicContact CG2-CB 4.14Å; I135-F147 HydrophobicContact CG2-CD1 3.94Å; I135-F147 HydrophobicContact CG2-CD2 3.92Å; I135-F147 HydrophobicContact CG2-CE1 4.35Å; I135-F147 HydrophobicContact CG2-CE2 4.33Å; I135-F147 HydrophobicContact CG2-CG 3.69Å; E143-F147 WeakPolarHBondContact O-CB 3.49Å; E143-F147 PolarHBondContact O-N 2.87Å; Q145-F147 VanDerWaalsContact C-N 3.34Å; Q145-F147 PolarHBondContact O-N 3.4Å; F147-E149 PolarHBondContact O-N 3.46Å; F147-L150 WeakPolarHBondContact O-CB 3.45Å; F147-L150 PolarHBondContact O-N 2.77Å; F147-D151 HydrophobicContact CD1-CB 4.36Å; F147-D151 HydrophobicContact CE1-CB 3.98Å; F147-D151 HydrophobicContact CZ-CB 4.25Å; F147-D151 VanDerWaalsContact O-CB 3.23Å; F147-D151 WeakPolarHBondContact O-CB 3.25Å; F147-D151 PolarHBondContact O-N 3.48Å; F147-I156 HydrophobicContact CE2-CD1 4.39Å; F147-R157 HydrophobicContact CE1-CG 4.39Å; F147-R157 HydrophobicContact CZ-CG 4.34Å; F147-I181 HydrophobicContact CB-CG2 4.38Å; F147-I181 HydrophobicContact CD1-CB 4.1Å; F147-I181 HydrophobicContact CD1-CG2 3.76Å; F147-I181 HydrophobicContact CE1-CB 4.41Å; F147-I181 HydrophobicContact CG-CG2 4.38Å
148Y98Very high98.1Very high77 Ų7765 Ų6530%0.30231%0.312SS..Hα-helixtrans-61.5-44.9179.1-177.1-116000111.6R144 Q145 E146 L150 D151 Q152 Q180R144-Y148 WeakPolarHBondContact O-CB 3.25Å; R144-Y148 PolarHBondContact O-N 2.67Å; Q145-Y148 WeakPolarHBondContact O-CB 3.23Å; Q145-Y148 PolarHBondContact O-N 2.77Å; Q145-Y148 VanDerWaalsContact O-N 3.15Å; E146-Y148 VanDerWaalsContact C-N 3.34Å; Y148-L150 PolarHBondContact O-N 2.91Å; Y148-D151 PolarHBondContact O-N 2.89Å; Y148-Q152 HydrophobicContact CE1-CG 4.34Å; Y148-Q152 HydrophobicContact CE2-CG 4.22Å; Y148-Q152 VanDerWaalsContact CE2-NE2 3.34Å; Y148-Q152 VanDerWaalsContact O-CG 3.3Å; Y148-Q152 WeakPolarHBondContact O-CG 3.39Å; Y148-Q152 PolarHBondContact O-N 3.25Å; Y148-Q152 PolarHBondContact OH-NE2 3.04Å; Y148-Q152 VanDerWaalsContact OH-NE2 3.17Å; Y148-Q180 HydrophobicContact CD1-CG 4.49Å; Y148-Q180 HydrophobicContact CD2-CB 3.97Å; Y148-Q180 HydrophobicContact CD2-CG 4.04Å; Y148-Q180 WeakPolarHBondContact CD2-O 3.48Å; Y148-Q180 HydrophobicContact CE2-CG 4.46Å; Y148-Q180 HydrophobicContact CG-CB 4.12Å; Y148-Q180 HydrophobicContact CG-CG 4.05Å
149E98.3Very high98.1Very high110 Ų11067.3 Ų67.351%0.51431%0.313SS..Hα-helixtrans-63.2-41.6176.2-71.1168.4-164.800112.3Q145 E146 F147 R153Q145-E149 PolarHBondContact NE2-OE1 3.32Å; Q145-E149 PolarHBondContact O-N 3.27Å; E146-E149 PolarHBondContact O-N 3.32Å; F147-E149 PolarHBondContact O-N 3.46Å; E149-R153 PolarHBondContact O-N 3.23Å
150L98.4Very high98.1Very high16 Ų1666.5 Ų66.58%0.08431%0.307CS..Hα-helixtrans-61.1-50.1173.9177.566.6000111.6L115 P116 E146 F147 Y148 Q152 R153 E154 I156L115-L150 HydrophobicContact CD2-CD2 4.13Å; P116-L150 HydrophobicContact CG-CD2 4.03Å; E146-L150 WeakPolarHBondContact O-CB 3.43Å; E146-L150 PolarHBondContact O-N 3.38Å; F147-L150 WeakPolarHBondContact O-CB 3.45Å; F147-L150 PolarHBondContact O-N 2.77Å; Y148-L150 PolarHBondContact O-N 2.91Å; L150-Q152 VanDerWaalsContact C-N 3.3Å; L150-Q152 PolarHBondContact O-N 2.91Å; L150-R153 PolarHBondContact O-N 3.14Å; L150-R153 VanDerWaalsContact O-N 3.13Å; L150-E154 HydrophobicContact CD1-CG 4.09Å; L150-E154 WeakPolarHBondContact CD1-OE1 3.13Å; L150-E154 WeakPolarHBondContact O-CB 3.37Å; L150-E154 PolarHBondContact O-N 2.83Å; L150-I156 HydrophobicContact CD2-CD1 3.98Å; L150-I156 HydrophobicContact CG-CD1 3.95Å
151D98.4Very high98.1Very high7 Ų764.3 Ų64.34%0.03729%0.292CS..Hα-helixtrans-63.3-35.4-179-179.764.6000111.9F147 Y148 R153 K155 I156 R157F147-D151 HydrophobicContact CD1-CB 4.36Å; F147-D151 HydrophobicContact CE1-CB 3.98Å; F147-D151 HydrophobicContact CZ-CB 4.25Å; F147-D151 VanDerWaalsContact O-CB 3.23Å; F147-D151 WeakPolarHBondContact O-CB 3.25Å; F147-D151 PolarHBondContact O-N 3.48Å; Y148-D151 PolarHBondContact O-N 2.89Å; D151-R153 VanDerWaalsContact C-N 3.3Å; D151-R153 PolarHBondContact O-N 2.79Å; D151-K155 WeakPolarHBondContact O-CA 3.31Å; D151-K155 PolarHBondContact O-N 3.43Å; D151-I156 WeakPolarHBondContact OD1-CA 3.24Å; D151-I156 WeakPolarHBondContact OD1-CB 3.47Å; D151-I156 PolarHBondContact OD1-N 2.88Å; D151-R157 PolarHBondContact OD1-N 3.38Å; D151-R157 IonicContact OD1-NE 3.2Å; D151-R157 IonicContact OD2-CZ 3.83Å; D151-R157 IonicContact OD2-NE 3.13Å; D151-R157 PolarHBondContact OD2-NE 2.98Å; D151-R157 IonicContact OD2-NH2 2.87Å; D151-R157 PolarHBondContact OD2-NH2 2.85Å
152Q97.6Very high98.2Very high81 Ų8161.8 Ų61.838%0.37929%0.288SS..Hα-helixtrans-64.7-34.9174.5-72.8-60.3-9.500113Y148 L150 K155Y148-Q152 HydrophobicContact CE1-CG 4.34Å; Y148-Q152 HydrophobicContact CE2-CG 4.22Å; Y148-Q152 VanDerWaalsContact CE2-NE2 3.34Å; Y148-Q152 VanDerWaalsContact O-CG 3.3Å; Y148-Q152 WeakPolarHBondContact O-CG 3.39Å; Y148-Q152 PolarHBondContact O-N 3.25Å; Y148-Q152 PolarHBondContact OH-NE2 3.04Å; Y148-Q152 VanDerWaalsContact OH-NE2 3.17Å; L150-Q152 VanDerWaalsContact C-N 3.3Å; L150-Q152 PolarHBondContact O-N 2.91Å; Q152-K155 WeakPolarHBondContact O-CE 3.47Å; Q152-K155 PolarHBondContact O-NZ 2.82Å
153R97.8Very high98.2Very high172 Ų17259.8 Ų59.865%0.64928%0.276SS*.Hα-helixtrans-78.6-43.9177-177.2177.162.9-116.32112.4E149 L150 D151E149-R153 PolarHBondContact O-N 3.23Å; L150-R153 PolarHBondContact O-N 3.14Å; L150-R153 VanDerWaalsContact O-N 3.13Å; D151-R153 VanDerWaalsContact C-N 3.3Å; D151-R153 PolarHBondContact O-N 2.79Å
154E98.2Very high98.2Very high84 Ų8458.7 Ų58.739%0.39327%0.27SS..Hα-helixtrans-100.3-9.8-169.4-67.3-176.5-160.600114L150 I156 K159L150-E154 HydrophobicContact CD1-CG 4.09Å; L150-E154 WeakPolarHBondContact CD1-OE1 3.13Å; L150-E154 WeakPolarHBondContact O-CB 3.37Å; L150-E154 PolarHBondContact O-N 2.83Å; E154-I156 VanDerWaalsContact C-N 3.32Å; E154-I156 HydrophobicContact CB-CD1 4.31Å; E154-I156 HydrophobicContact CB-CG1 3.87Å; E154-I156 PolarHBondContact O-N 3.01Å; E154-K159 WeakPolarHBondContact O-CE 3.35Å; E154-K159 PolarHBondContact O-NZ 3.23Å
155K98.2Very high98.2Very high76 Ų7660.2 Ų60.233%0.3328%0.279SS..  trans55.544.6178.4-56.3-56.5-172-176.70112.3D151 Q152 E158 K159D151-K155 WeakPolarHBondContact O-CA 3.31Å; D151-K155 PolarHBondContact O-N 3.43Å; Q152-K155 WeakPolarHBondContact O-CE 3.47Å; Q152-K155 PolarHBondContact O-NZ 2.82Å; K155-E158 HydrophobicContact CB-CB 4.17Å; K155-E158 PolarHBondContact O-N 3.38Å; K155-K159 WeakPolarHBondContact O-CB 3.32Å; K155-K159 WeakPolarHBondContact O-CD 3.48Å; K155-K159 WeakPolarHBondContact O-CG 3.37Å; K155-K159 PolarHBondContact O-N 3.35Å
156I98.4Very high98.2Very high16 Ų1662.1 Ų62.18%0.08229%0.288CS..Hα-helixtrans-63.6-52.2-171.6-59.4175.8000110.4I113 L115 P134 F147 L150 D151 E154 F160I113-I156 HydrophobicContact CD1-CG2 4.17Å; I113-I156 HydrophobicContact CG2-CG2 4.28Å; L115-I156 HydrophobicContact CD2-CD1 3.65Å; P134-I156 HydrophobicContact CB-CG2 4.4Å; P134-I156 HydrophobicContact CG-CG2 4.34Å; F147-I156 HydrophobicContact CE2-CD1 4.39Å; L150-I156 HydrophobicContact CD2-CD1 3.98Å; L150-I156 HydrophobicContact CG-CD1 3.95Å; D151-I156 WeakPolarHBondContact OD1-CA 3.24Å; D151-I156 WeakPolarHBondContact OD1-CB 3.47Å; D151-I156 PolarHBondContact OD1-N 2.88Å; E154-I156 VanDerWaalsContact C-N 3.32Å; E154-I156 HydrophobicContact CB-CD1 4.31Å; E154-I156 HydrophobicContact CB-CG1 3.87Å; E154-I156 PolarHBondContact O-N 3.01Å; I156-F160 WeakPolarHBondContact O-CB 3.4Å; I156-F160 PolarHBondContact O-N 2.84Å
157R98.4Very high98.2Very high5 Ų564.3 Ų64.32%0.01930%0.298CS..Hα-helixtrans-65.9-39.9179-69.1-178.2-68.2167.8-2.7112P134 F147 D151 F160 V161 I177 G179 Q180 S182 F183P134-R157 HydrophobicContact CG-CG 4.29Å; F147-R157 HydrophobicContact CE1-CG 4.39Å; F147-R157 HydrophobicContact CZ-CG 4.34Å; D151-R157 PolarHBondContact OD1-N 3.38Å; D151-R157 IonicContact OD1-NE 3.2Å; D151-R157 IonicContact OD2-CZ 3.83Å; D151-R157 IonicContact OD2-NE 3.13Å; D151-R157 PolarHBondContact OD2-NE 2.98Å; D151-R157 IonicContact OD2-NH2 2.87Å; D151-R157 PolarHBondContact OD2-NH2 2.85Å; R157-F160 PolarHBondContact O-N 3.22Å; R157-V161 WeakPolarHBondContact O-CB 3.37Å; R157-V161 WeakPolarHBondContact O-CG2 3.44Å; R157-V161 PolarHBondContact O-N 3.16Å; R157-I177 HydrophobicContact CB-CD1 4.34Å; R157-I177 HydrophobicContact CB-CG2 4.39Å; R157-G179 PolarHBondContact NH1-O 3.45Å; R157-Q180 PolarHBondContact NH2-O 3.23Å; R157-S182 WeakPolarHBondContact CD-O 3.36Å; R157-S182 PolarHBondContact NH1-O 3.2Å; R157-F183 HydrophobicContact CB-CD1 4.19Å; R157-F183 HydrophobicContact CG-CD1 4.16Å
158E98.2Very high98.2Very high114 Ų11464.7 Ų64.753%0.53330%0.3SS..Hα-helixtrans-63.9-46.9178.9-170.9-175140.700111.7K155 F160 V161 S162 I177K155-E158 HydrophobicContact CB-CB 4.17Å; K155-E158 PolarHBondContact O-N 3.38Å; E158-F160 VanDerWaalsContact C-N 3.32Å; E158-F160 PolarHBondContact O-N 2.55Å; E158-V161 PolarHBondContact O-N 3.3Å; E158-S162 WeakPolarHBondContact O-CB 3.49Å; E158-S162 PolarHBondContact O-N 2.96Å; E158-I177 HydrophobicContact CB-CD1 4.23Å
159K98.5Very high98.2Very high120 Ų12069 Ų6952%0.52232%0.316SS..Hα-helixtrans-61-42.2174.2-73.2168.5-179.9167.60111.6E154 K155 S162 V163E154-K159 WeakPolarHBondContact O-CE 3.35Å; E154-K159 PolarHBondContact O-NZ 3.23Å; K155-K159 WeakPolarHBondContact O-CB 3.32Å; K155-K159 WeakPolarHBondContact O-CD 3.48Å; K155-K159 WeakPolarHBondContact O-CG 3.37Å; K155-K159 PolarHBondContact O-N 3.35Å; K159-S162 PolarHBondContact O-N 3Å; K159-V163 WeakPolarHBondContact O-CG2 3.4Å; K159-V163 PolarHBondContact O-N 3.34Å; K159-V163 VanDerWaalsContact O-N 3.07Å
160F98.4Very high98.1Very high0 Ų067.7 Ų67.70%033%0.331CS..Hα-helixtrans-65-48.8178.9-167.4-179.8000111.4C106 Y109 M110 I113 V132 P134 I156 R157 E158 S162 V163 L164 F183C106-F160 HydrophobicContact CB-CZ 4.15Å; Y109-F160 HydrophobicContact CD1-CB 4.32Å; Y109-F160 AromaticContact CD1-CD1 3.81Å; Y109-F160 HydrophobicContact CD1-CD1 3.81Å; Y109-F160 AromaticContact CD1-CD2 3.22Å; Y109-F160 HydrophobicContact CD1-CD2 3.22Å; Y109-F160 AromaticContact CD1-CE1 3.87Å; Y109-F160 HydrophobicContact CD1-CE1 3.87Å; Y109-F160 AromaticContact CD1-CE2 3.29Å; Y109-F160 HydrophobicContact CD1-CE2 3.29Å; Y109-F160 AromaticContact CD1-CG 3.52Å; Y109-F160 HydrophobicContact CD1-CG 3.52Å; Y109-F160 AromaticContact CD1-CZ 3.62Å; Y109-F160 HydrophobicContact CD1-CZ 3.62Å; Y109-F160 HydrophobicContact CD2-CD2 4.16Å; Y109-F160 HydrophobicContact CD2-CE2 4.19Å; Y109-F160 HydrophobicContact CE1-CB 3.69Å; Y109-F160 AromaticContact CE1-CD1 3.97Å; Y109-F160 HydrophobicContact CE1-CD1 3.97Å; Y109-F160 AromaticContact CE1-CD2 3.4Å; Y109-F160 HydrophobicContact CE1-CD2 3.4Å; Y109-F160 HydrophobicContact CE1-CE1 4.49Å; Y109-F160 AromaticContact CE1-CE2 3.99Å; Y109-F160 HydrophobicContact CE1-CE2 3.99Å; Y109-F160 AromaticContact CE1-CG 3.4Å; Y109-F160 HydrophobicContact CE1-CG 3.4Å; Y109-F160 VanDerWaalsContact CE1-CG 3.4Å; Y109-F160 HydrophobicContact CE1-CZ 4.5Å; Y109-F160 HydrophobicContact CE2-CD2 4.3Å; Y109-F160 AromaticContact CG-CD2 3.64Å; Y109-F160 HydrophobicContact CG-CD2 3.64Å; Y109-F160 AromaticContact CG-CE2 3.41Å; Y109-F160 HydrophobicContact CG-CE2 3.41Å; Y109-F160 VanDerWaalsContact CG-CE2 3.41Å; Y109-F160 HydrophobicContact CG-CG 4.38Å; Y109-F160 AromaticContact CG-CZ 3.98Å; Y109-F160 HydrophobicContact CG-CZ 3.98Å; Y109-F160 AromaticContact CZ-CD2 3.94Å; M110-F160 HydrophobicContact CG-CD1 4.46Å; M110-F160 HydrophobicContact CG-CE1 3.45Å; M110-F160 VanDerWaalsContact CG-CE1 3.45Å; M110-F160 HydrophobicContact CG-CZ 3.88Å; M110-F160 HydrophobicContact SD-CE1 4.05Å; I113-F160 HydrophobicContact CD1-CD1 4.42Å; V132-F160 HydrophobicContact CG1-CE1 3.92Å; V132-F160 HydrophobicContact CG1-CZ 4.36Å; P134-F160 HydrophobicContact CG-CD1 4.29Å; I156-F160 WeakPolarHBondContact O-CB 3.4Å; I156-F160 PolarHBondContact O-N 2.84Å; R157-F160 PolarHBondContact O-N 3.22Å; E158-F160 VanDerWaalsContact C-N 3.32Å; E158-F160 PolarHBondContact O-N 2.55Å; F160-S162 VanDerWaalsContact C-N 3.3Å; F160-S162 PolarHBondContact O-N 3.22Å; F160-V163 PolarHBondContact O-N 2.76Å; F160-L164 HydrophobicContact CD2-CD1 3.78Å; F160-L164 HydrophobicContact CD2-CG 3.86Å; F160-L164 HydrophobicContact CE2-CD1 3.7Å; F160-L164 HydrophobicContact CE2-CD2 4.04Å; F160-L164 HydrophobicContact CE2-CG 3.82Å; F160-L164 HydrophobicContact CG-CD1 4.46Å; F160-L164 HydrophobicContact CZ-CD1 4.35Å; F160-L164 WeakPolarHBondContact O-CG 3.25Å; F160-L164 PolarHBondContact O-N 2.82Å; F160-F183 HydrophobicContact CB-CE1 4.45Å; F160-F183 AromaticContact CD1-CE1 3.73Å; F160-F183 HydrophobicContact CD1-CE1 3.73Å; F160-F183 AromaticContact CD1-CZ 3.82Å; F160-F183 HydrophobicContact CD1-CZ 3.82Å; F160-F183 HydrophobicContact CE1-CE1 4.21Å; F160-F183 HydrophobicContact CE1-CZ 4Å; F160-F183 HydrophobicContact CG-CE1 4.21Å; F160-F183 HydrophobicContact CG-CZ 4.12Å; F160-F183 HydrophobicContact CZ-CZ 4.46Å
161V98.3Very high98.1Very high7 Ų772.6 Ų72.64%0.04235%0.352CS..Hα-helixtrans-60.3-39.4175.7167.60000111.5R157 E158 V163 L164 K165 F175 I177 F183R157-V161 WeakPolarHBondContact O-CB 3.37Å; R157-V161 WeakPolarHBondContact O-CG2 3.44Å; R157-V161 PolarHBondContact O-N 3.16Å; E158-V161 PolarHBondContact O-N 3.3Å; V161-V163 PolarHBondContact O-N 2.83Å; V161-L164 PolarHBondContact O-N 3.05Å; V161-K165 HydrophobicContact CG1-CD 4.08Å; V161-K165 HydrophobicContact CG1-CG 4.27Å; V161-K165 WeakPolarHBondContact O-CB 3.32Å; V161-K165 WeakPolarHBondContact O-CG 3.38Å; V161-K165 PolarHBondContact O-N 2.98Å; V161-F175 HydrophobicContact CG1-CB 3.67Å; V161-F175 HydrophobicContact CG1-CD1 4.42Å; V161-F175 HydrophobicContact CG1-CG 4.08Å; V161-I177 HydrophobicContact CB-CD1 4.28Å; V161-I177 HydrophobicContact CG2-CD1 4.07Å; V161-I177 HydrophobicContact CG2-CG1 3.91Å; V161-F183 HydrophobicContact CG2-CB 4.13Å; V161-F183 HydrophobicContact CG2-CD1 3.87Å; V161-F183 HydrophobicContact CG2-CD2 3.61Å; V161-F183 HydrophobicContact CG2-CE1 4.12Å; V161-F183 HydrophobicContact CG2-CE2 3.86Å; V161-F183 HydrophobicContact CG2-CG 3.6Å; V161-F183 HydrophobicContact CG2-CZ 4.11Å
162S98.3Very high98Very high70 Ų7073.5 Ų73.549%0.4936%0.363SS..Hα-helixtrans-58.9-47.5175.6-176.10000111.6E158 K159 F160 L164 K165 E166E158-S162 WeakPolarHBondContact O-CB 3.49Å; E158-S162 PolarHBondContact O-N 2.96Å; K159-S162 PolarHBondContact O-N 3Å; F160-S162 VanDerWaalsContact C-N 3.3Å; F160-S162 PolarHBondContact O-N 3.22Å; S162-L164 PolarHBondContact O-N 3.18Å; S162-K165 PolarHBondContact O-N 2.91Å; S162-E166 WeakPolarHBondContact O-CG 3.32Å; S162-E166 PolarHBondContact O-N 2.67Å; S162-E166 VanDerWaalsContact O-N 3.15Å
163V98.3Very high97.9Very high55 Ų5570.4 Ų70.433%0.33335%0.349SS..Hα-helixtrans-62.8-42.2176.11730000111.8F105 Y109 K159 F160 V161 K165 E166 E167F105-V163 HydrophobicContact CE1-CG1 3.91Å; F105-V163 HydrophobicContact CZ-CG1 3.6Å; Y109-V163 HydrophobicContact CD2-CG1 4.24Å; Y109-V163 HydrophobicContact CE2-CB 4.07Å; Y109-V163 HydrophobicContact CE2-CG1 3.91Å; Y109-V163 HydrophobicContact CE2-CG2 4.06Å; K159-V163 WeakPolarHBondContact O-CG2 3.4Å; K159-V163 PolarHBondContact O-N 3.34Å; K159-V163 VanDerWaalsContact O-N 3.07Å; F160-V163 PolarHBondContact O-N 2.76Å; V161-V163 PolarHBondContact O-N 2.83Å; V163-K165 PolarHBondContact O-N 2.95Å; V163-E166 PolarHBondContact O-N 3.26Å; V163-E167 WeakPolarHBondContact O-CB 3.23Å; V163-E167 PolarHBondContact O-N 3.02Å
164L98.4Very high97.8Very high0 Ų064 Ų640%033%0.33CS..Hα-helixtrans-63.6-40177.2-71.5169.9000112.4F102 F105 F160 V161 S162 E166 E167 F168 F175 F183F102-L164 HydrophobicContact CD2-CD2 4.37Å; F102-L164 HydrophobicContact CE2-CD1 4.14Å; F102-L164 HydrophobicContact CE2-CD2 3.82Å; F102-L164 HydrophobicContact CE2-CG 4.47Å; F102-L164 HydrophobicContact CZ-CD1 4.33Å; F105-L164 HydrophobicContact CD1-CD2 3.41Å; F105-L164 VanDerWaalsContact CD1-CD2 3.41Å; F105-L164 HydrophobicContact CE1-CD2 3.7Å; F105-L164 HydrophobicContact CE1-CG 4.46Å; F105-L164 HydrophobicContact CG-CD2 4.4Å; F160-L164 HydrophobicContact CD2-CD1 3.78Å; F160-L164 HydrophobicContact CD2-CG 3.86Å; F160-L164 HydrophobicContact CE2-CD1 3.7Å; F160-L164 HydrophobicContact CE2-CD2 4.04Å; F160-L164 HydrophobicContact CE2-CG 3.82Å; F160-L164 HydrophobicContact CG-CD1 4.46Å; F160-L164 HydrophobicContact CZ-CD1 4.35Å; F160-L164 WeakPolarHBondContact O-CG 3.25Å; F160-L164 PolarHBondContact O-N 2.82Å; V161-L164 PolarHBondContact O-N 3.05Å; S162-L164 PolarHBondContact O-N 3.18Å; L164-E166 VanDerWaalsContact C-N 3.3Å; L164-E166 PolarHBondContact O-N 3.17Å; L164-E167 PolarHBondContact O-N 3.38Å; L164-F168 HydrophobicContact CD2-CD2 4.14Å; L164-F168 HydrophobicContact CD2-CE2 3.95Å; L164-F168 WeakPolarHBondContact O-CB 3.46Å; L164-F168 WeakPolarHBondContact O-CD2 3.37Å; L164-F168 PolarHBondContact O-N 2.91Å; L164-F175 HydrophobicContact CB-CD1 4.37Å; L164-F175 HydrophobicContact CB-CE1 3.61Å; L164-F175 HydrophobicContact CB-CZ 3.82Å; L164-F175 HydrophobicContact CD1-CD1 4.41Å; L164-F175 HydrophobicContact CD1-CE1 3.94Å; L164-F175 HydrophobicContact CG-CE1 4.34Å; L164-F183 HydrophobicContact CD1-CE2 3.62Å; L164-F183 HydrophobicContact CD1-CZ 3.65Å
165K97.9Very high97.6Very high106 Ų10661.2 Ų61.246%0.46132%0.317SS..Hα-helixtrans-63.1-36.6176.8-78.6179.8175.8-174.50112.4V161 S162 V163 R169 F175V161-K165 HydrophobicContact CG1-CD 4.08Å; V161-K165 HydrophobicContact CG1-CG 4.27Å; V161-K165 WeakPolarHBondContact O-CB 3.32Å; V161-K165 WeakPolarHBondContact O-CG 3.38Å; V161-K165 PolarHBondContact O-N 2.98Å; S162-K165 PolarHBondContact O-N 2.91Å; V163-K165 PolarHBondContact O-N 2.95Å; K165-R169 WeakPolarHBondContact O-CA 3.42Å; K165-R169 WeakPolarHBondContact O-CB 3.46Å; K165-R169 PolarHBondContact O-N 3.12Å; K165-F175 HydrophobicContact CD-CD2 4.44Å; K165-F175 HydrophobicContact CG-CD2 3.58Å; K165-F175 HydrophobicContact CG-CE2 3.84Å; K165-F175 HydrophobicContact CG-CG 4.29Å
166E98.1Very high97.3Very high109 Ų10960.3 Ų60.351%0.50932%0.32SS..Hα-helixtrans-71-48.9175.1-67.2-58.211500111.6S162 V163 L164 F168 R169S162-E166 WeakPolarHBondContact O-CG 3.32Å; S162-E166 PolarHBondContact O-N 2.67Å; S162-E166 VanDerWaalsContact O-N 3.15Å; V163-E166 PolarHBondContact O-N 3.26Å; L164-E166 VanDerWaalsContact C-N 3.3Å; L164-E166 PolarHBondContact O-N 3.17Å; E166-F168 PolarHBondContact O-N 2.92Å; E166-R169 WeakPolarHBondContact O-CB 3.4Å; E166-R169 PolarHBondContact O-N 2.88Å; E166-R169 IonicContact OE1-CZ 3.61Å; E166-R169 IonicContact OE1-NE 3.9Å; E166-R169 IonicContact OE1-NH2 2.65Å; E166-R169 PolarHBondContact OE1-NH2 3.09Å; E166-R169 IonicContact OE2-CZ 3.34Å; E166-R169 IonicContact OE2-NH1 3.91Å; E166-R169 IonicContact OE2-NH2 2.64Å; E166-R169 PolarHBondContact OE2-NH2 2.93Å
167E98.3Very high96.9Very high119 Ų11963.1 Ų63.156%0.55633%0.334SS*.Hα-helixtrans-61.9-44.6-178.3-175.269-164.700112.3F105 V163 L164F105-E167 HydrophobicContact CD2-CG 3.72Å; F105-E167 HydrophobicContact CE2-CB 4.1Å; F105-E167 HydrophobicContact CE2-CG 3.54Å; F105-E167 HydrophobicContact CG-CG 4.43Å; F105-E167 HydrophobicContact CZ-CB 4.19Å; F105-E167 HydrophobicContact CZ-CG 4.13Å; V163-E167 WeakPolarHBondContact O-CB 3.23Å; V163-E167 PolarHBondContact O-N 3.02Å; L164-E167 PolarHBondContact O-N 3.38Å
168F97.9Very high96.1Very high15 Ų1564.1 Ų64.17%0.06635%0.347CS..THydrogen-bonded Turntrans-100.321.6-176.7-64.3-83.7000112.7L98 D101 F102 F105 L164 E166 G170 K171 L173L98-F168 HydrophobicContact CD1-CD1 3.86Å; L98-F168 HydrophobicContact CD1-CE1 4.1Å; D101-F168 HydrophobicContact CB-CE1 4.21Å; F102-F168 VanDerWaalsContact CA-CZ 3.42Å; F102-F168 HydrophobicContact CB-CE1 4.09Å; F102-F168 HydrophobicContact CB-CZ 4.04Å; F102-F168 HydrophobicContact CD2-CD2 4.05Å; F102-F168 AromaticContact CD2-CE2 3.9Å; F102-F168 HydrophobicContact CD2-CE2 3.9Å; F102-F168 HydrophobicContact CD2-CG 4.45Å; F102-F168 HydrophobicContact CD2-CZ 4.17Å; F105-F168 HydrophobicContact CB-CE2 4.01Å; F105-F168 HydrophobicContact CB-CZ 3.98Å; F105-F168 HydrophobicContact CD1-CE2 4.3Å; F105-F168 HydrophobicContact CD2-CE2 4.46Å; F105-F168 HydrophobicContact CG-CE2 4Å; F105-F168 HydrophobicContact CG-CZ 4.38Å; L164-F168 HydrophobicContact CD2-CD2 4.14Å; L164-F168 HydrophobicContact CD2-CE2 3.95Å; L164-F168 WeakPolarHBondContact O-CB 3.46Å; L164-F168 WeakPolarHBondContact O-CD2 3.37Å; L164-F168 PolarHBondContact O-N 2.91Å; E166-F168 PolarHBondContact O-N 2.92Å; F168-G170 PolarHBondContact O-N 2.95Å; F168-K171 HydrophobicContact CB-CB 4.34Å; F168-K171 HydrophobicContact CB-CG 4.38Å; F168-K171 HydrophobicContact CD1-CG 4.46Å; F168-K171 VanDerWaalsContact O-CB 3.27Å; F168-K171 WeakPolarHBondContact O-CB 3.41Å; F168-K171 WeakPolarHBondContact O-CG 3.47Å; F168-K171 PolarHBondContact O-N 3.36Å; F168-L173 HydrophobicContact CB-CD1 4.14Å; F168-L173 HydrophobicContact CD1-CD1 4.28Å; F168-L173 HydrophobicContact CG-CD1 4.23Å
169R97.5Very high95.6Very high167 Ų16761.7 Ų61.763%0.6335%0.352SS*.THydrogen-bonded Turntrans-56.2128.9179.5-174.4-177-73.3173.3-5.6110.6K165 E166 K171K165-R169 WeakPolarHBondContact O-CA 3.42Å; K165-R169 WeakPolarHBondContact O-CB 3.46Å; K165-R169 PolarHBondContact O-N 3.12Å; E166-R169 WeakPolarHBondContact O-CB 3.4Å; E166-R169 PolarHBondContact O-N 2.88Å; E166-R169 IonicContact OE1-CZ 3.61Å; E166-R169 IonicContact OE1-NE 3.9Å; E166-R169 IonicContact OE1-NH2 2.65Å; E166-R169 PolarHBondContact OE1-NH2 3.09Å; E166-R169 IonicContact OE2-CZ 3.34Å; E166-R169 IonicContact OE2-NH1 3.91Å; E166-R169 IonicContact OE2-NH2 2.64Å; E166-R169 PolarHBondContact OE2-NH2 2.93Å; R169-K171 PolarHBondContact O-N 3.27Å
170G96.9Very high95.2Very high82 Ų8258.2 Ų58.285%0.84534%0.338SS*.THydrogen-bonded Turntrans74.78.5178.800000114.6F168 G172F168-G170 PolarHBondContact O-N 2.95Å; G170-G172 VanDerWaalsContact C-N 3.32Å
171K97.3Very high95.2Very high120 Ų12058.3 Ų58.352%0.52234%0.338SS..SBendtrans-90.17.8174.9-60.8-69.5-171.1165.60113.7M94 L98 F168 R169M94-K171 WeakPolarHBondContact CE-O 3.43Å; L98-K171 HydrophobicContact CD1-CB 4.02Å; L98-K171 HydrophobicContact CD1-CD 4.24Å; L98-K171 HydrophobicContact CD1-CG 4.16Å; L98-K171 HydrophobicContact CD2-CB 4.21Å; F168-K171 HydrophobicContact CB-CB 4.34Å; F168-K171 HydrophobicContact CB-CG 4.38Å; F168-K171 HydrophobicContact CD1-CG 4.46Å; F168-K171 VanDerWaalsContact O-CB 3.27Å; F168-K171 WeakPolarHBondContact O-CB 3.41Å; F168-K171 WeakPolarHBondContact O-CG 3.47Å; F168-K171 PolarHBondContact O-N 3.36Å; R169-K171 PolarHBondContact O-N 3.27Å
172G96.7Very high95.1Very high25 Ų2558.5 Ų58.526%0.25834%0.34SS..SBendtrans74.729.9176.500000114.2G170 P187 D188G170-G172 VanDerWaalsContact C-N 3.32Å; G172-P187 CarbonylContact O-C 3.54Å; G172-P187 VanDerWaalsContact O-CA 3.28Å; G172-P187 WeakPolarHBondContact O-CA 3.39Å; G172-D188 VanDerWaalsContact CA-OD2 3.27Å; G172-D188 WeakPolarHBondContact CA-OD2 3.27Å; G172-D188 PolarHBondContact O-N 3.35Å
173L96.8Very high95Very high17 Ų1755.1 Ų55.19%0.08932%0.316CS..EExtended strand (participates in β ladder)trans-111.2130.7179.5-67.9176.8000111.3M94 F102 F168 F175 V185 D188M94-L173 HydrophobicContact CE-CD2 3.57Å; M94-L173 HydrophobicContact CE-CG 3.99Å; F102-L173 HydrophobicContact CD2-CD1 4.02Å; F168-L173 HydrophobicContact CB-CD1 4.14Å; F168-L173 HydrophobicContact CD1-CD1 4.28Å; F168-L173 HydrophobicContact CG-CD1 4.23Å; L173-F175 HydrophobicContact CB-CE2 4.03Å; L173-F175 HydrophobicContact CB-CZ 4.11Å; L173-F175 WeakPolarHBondContact O-CE2 3.46Å; L173-V185 HydrophobicContact CB-CG1 4.39Å; L173-V185 HydrophobicContact CD1-CG1 4.42Å; L173-V185 HydrophobicContact CD2-CG1 4.25Å; L173-D188 VanDerWaalsContact C-OD1 3.23Å
174S94.5Very high94.9Very high37 Ų3754 Ų5426%0.25931%0.309SS..EExtended strand (participates in β ladder)trans-106.1151.9172.6-86.50000111.2V185 F186 D188S174-V185 WeakPolarHBondContact O-CA 3.32Å; S174-F186 PolarHBondContact N-O 2.62Å; S174-F186 PolarHBondContact O-N 2.83Å; S174-F186 VanDerWaalsContact O-N 3.1Å; S174-D188 WeakPolarHBondContact CB-OD1 3.49Å; S174-D188 PolarHBondContact N-OD1 3.09Å; S174-D188 PolarHBondContact OG-OD1 3.06Å
175F94.4Very high94.8Very high26 Ų2654 Ų5411%0.11431%0.309CS..EExtended strand (participates in β ladder)trans-133.6129.3-173.7-58.4-96.5000110.4F102 V161 L164 K165 L173 F183 D184 V185F102-F175 AromaticContact CE2-CE1 3.87Å; F102-F175 HydrophobicContact CE2-CE1 3.87Å; F102-F175 HydrophobicContact CE2-CZ 4.34Å; F102-F175 HydrophobicContact CZ-CE1 4.43Å; V161-F175 HydrophobicContact CG1-CB 3.67Å; V161-F175 HydrophobicContact CG1-CD1 4.42Å; V161-F175 HydrophobicContact CG1-CG 4.08Å; L164-F175 HydrophobicContact CB-CD1 4.37Å; L164-F175 HydrophobicContact CB-CE1 3.61Å; L164-F175 HydrophobicContact CB-CZ 3.82Å; L164-F175 HydrophobicContact CD1-CD1 4.41Å; L164-F175 HydrophobicContact CD1-CE1 3.94Å; L164-F175 HydrophobicContact CG-CE1 4.34Å; K165-F175 HydrophobicContact CD-CD2 4.44Å; K165-F175 HydrophobicContact CG-CD2 3.58Å; K165-F175 HydrophobicContact CG-CE2 3.84Å; K165-F175 HydrophobicContact CG-CG 4.29Å; L173-F175 HydrophobicContact CB-CE2 4.03Å; L173-F175 HydrophobicContact CB-CZ 4.11Å; L173-F175 WeakPolarHBondContact O-CE2 3.46Å; F175-F183 HydrophobicContact CD1-CE2 4.49Å; F175-D184 WeakPolarHBondContact CA-O 3.31Å; F175-V185 HydrophobicContact CD1-CB 4.26Å; F175-V185 HydrophobicContact CD1-CG1 3.96Å; F175-V185 HydrophobicContact CD1-CG2 3.48Å; F175-V185 VanDerWaalsContact CD1-CG2 3.48Å; F175-V185 HydrophobicContact CE1-CB 4.28Å; F175-V185 HydrophobicContact CE1-CG1 3.61Å; F175-V185 HydrophobicContact CE1-CG2 3.67Å; F175-V185 HydrophobicContact CZ-CG1 4.09Å
176S91.1Very high94.7Very high56 Ų5650.6 Ų50.639%0.39229%0.294SS..EExtended strand (participates in β ladder)trans-126.8117.3176.9-175.10000111.3G178 F183 D184S176-G178 PolarHBondContact O-N 3.36Å; S176-F183 CarbonylContact O-C 3.57Å; S176-F183 WeakPolarHBondContact O-CA 3.39Å; S176-F183 VanDerWaalsContact O-CB 3.28Å; S176-F183 WeakPolarHBondContact O-CB 3.22Å; S176-D184 PolarHBondContact N-O 3.28Å; S176-D184 PolarHBondContact O-N 3.01Å
177I91.6Very high94.6Very high75 Ų7545.4 Ų45.439%0.38527%0.269SS..  trans-81.999.7173.2-58.6177.8000107.9R157 E158 V161 F183R157-I177 HydrophobicContact CB-CD1 4.34Å; R157-I177 HydrophobicContact CB-CG2 4.39Å; E158-I177 HydrophobicContact CB-CD1 4.23Å; V161-I177 HydrophobicContact CB-CD1 4.28Å; V161-I177 HydrophobicContact CG2-CD1 4.07Å; V161-I177 HydrophobicContact CG2-CG1 3.91Å; I177-F183 HydrophobicContact CB-CB 4.39Å; I177-F183 HydrophobicContact CG1-CB 3.97Å
178G81.1Confident94.4Very high27 Ų2744 Ų4428%0.27827%0.266SS..  trans-117.3145.8-18000000113S176S176-G178 PolarHBondContact O-N 3.36Å
179G86.4Confident94.1Very high62 Ų6244.7 Ų44.764%0.63928%0.277SS*.THydrogen-bonded Turntrans65.6-156.5176.300000114.1R157R157-G179 PolarHBondContact NH1-O 3.45Å
180Q91.7Very high94Very high47 Ų4737.2 Ų37.222%0.2225%0.249CC..THydrogen-bonded Turntrans-93.8-28.2-167-69.4-173-66.900114.8R144 Y148 R157R144-Q180 HydrophobicContact CG-CB 3.73Å; R144-Q180 HydrophobicContact CG-CG 4.43Å; R144-Q180 VanDerWaalsContact CG-OE1 3.31Å; Y148-Q180 HydrophobicContact CD1-CG 4.49Å; Y148-Q180 HydrophobicContact CD2-CB 3.97Å; Y148-Q180 HydrophobicContact CD2-CG 4.04Å; Y148-Q180 WeakPolarHBondContact CD2-O 3.48Å; Y148-Q180 HydrophobicContact CE2-CG 4.46Å; Y148-Q180 HydrophobicContact CG-CB 4.12Å; Y148-Q180 HydrophobicContact CG-CG 4.05Å; R157-Q180 PolarHBondContact NH2-O 3.23Å
181I96.9Very high93.8Very high2 Ų234.3 Ų34.31%0.0121%0.214CC..THydrogen-bonded Turntrans-130.9-7.2-164.158.1163.2000115.3S133 I135 R144 F147S133-I181 WeakPolarHBondContact CA-O 3.49Å; S133-I181 WeakPolarHBondContact CB-O 3.38Å; S133-I181 PolarHBondContact OG-O 3.11Å; I135-I181 HydrophobicContact CG2-CB 3.79Å; I135-I181 HydrophobicContact CG2-CG2 3.82Å; R144-I181 HydrophobicContact CB-CG2 3.94Å; R144-I181 HydrophobicContact CG-CG2 3.67Å; F147-I181 HydrophobicContact CB-CG2 4.38Å; F147-I181 HydrophobicContact CD1-CB 4.1Å; F147-I181 HydrophobicContact CD1-CG2 3.76Å; F147-I181 HydrophobicContact CE1-CB 4.41Å; F147-I181 HydrophobicContact CG-CG2 4.38Å
182S97.2Very high93.8Very high11 Ų1128.7 Ų28.78%0.07719%0.19CC..  trans-139.3173.9-169.659.50000112.2N131 V132 R157N131-S182 VanDerWaalsContact ND2-CB 3.33Å; N131-S182 WeakPolarHBondContact ND2-CB 3.23Å; N131-S182 PolarHBondContact ND2-OG 3.13Å; N131-S182 VanDerWaalsContact OD1-CB 3.28Å; N131-S182 WeakPolarHBondContact OD1-CB 3.4Å; V132-S182 CarbonylContact O-C 3.49Å; V132-S182 WeakPolarHBondContact O-CA 3.39Å; V132-S182 VanDerWaalsContact O-CB 3.24Å; V132-S182 WeakPolarHBondContact O-CB 3.45Å; R157-S182 WeakPolarHBondContact CD-O 3.36Å; R157-S182 PolarHBondContact NH1-O 3.2Å
183F96.9Very high93.8Very high0 Ų031.6 Ų31.60%019%0.193CC..EExtended strand (participates in β ladder)trans-137.5152.4161.457.5-91.8000108.5V132 R157 F160 V161 L164 F175 S176 I177 V185V132-F183 HydrophobicContact CB-CD2 4.22Å; V132-F183 HydrophobicContact CB-CE1 4.03Å; V132-F183 HydrophobicContact CB-CE2 3.67Å; V132-F183 HydrophobicContact CB-CZ 3.57Å; V132-F183 HydrophobicContact CG1-CE1 3.98Å; V132-F183 HydrophobicContact CG1-CE2 4.18Å; V132-F183 HydrophobicContact CG1-CZ 3.57Å; V132-F183 HydrophobicContact CG2-CE2 4.04Å; V132-F183 HydrophobicContact CG2-CZ 4.28Å; V132-F183 PolarHBondContact N-O 3Å; V132-F183 PolarHBondContact O-N 3.17Å; R157-F183 HydrophobicContact CB-CD1 4.19Å; R157-F183 HydrophobicContact CG-CD1 4.16Å; F160-F183 HydrophobicContact CB-CE1 4.45Å; F160-F183 AromaticContact CD1-CE1 3.73Å; F160-F183 HydrophobicContact CD1-CE1 3.73Å; F160-F183 AromaticContact CD1-CZ 3.82Å; F160-F183 HydrophobicContact CD1-CZ 3.82Å; F160-F183 HydrophobicContact CE1-CE1 4.21Å; F160-F183 HydrophobicContact CE1-CZ 4Å; F160-F183 HydrophobicContact CG-CE1 4.21Å; F160-F183 HydrophobicContact CG-CZ 4.12Å; F160-F183 HydrophobicContact CZ-CZ 4.46Å; V161-F183 HydrophobicContact CG2-CB 4.13Å; V161-F183 HydrophobicContact CG2-CD1 3.87Å; V161-F183 HydrophobicContact CG2-CD2 3.61Å; V161-F183 HydrophobicContact CG2-CE1 4.12Å; V161-F183 HydrophobicContact CG2-CE2 3.86Å; V161-F183 HydrophobicContact CG2-CG 3.6Å; V161-F183 HydrophobicContact CG2-CZ 4.11Å; L164-F183 HydrophobicContact CD1-CE2 3.62Å; L164-F183 HydrophobicContact CD1-CZ 3.65Å; F175-F183 HydrophobicContact CD1-CE2 4.49Å; S176-F183 CarbonylContact O-C 3.57Å; S176-F183 WeakPolarHBondContact O-CA 3.39Å; S176-F183 VanDerWaalsContact O-CB 3.28Å; S176-F183 WeakPolarHBondContact O-CB 3.22Å; I177-F183 HydrophobicContact CB-CB 4.39Å; I177-F183 HydrophobicContact CG1-CB 3.97Å; F183-V185 HydrophobicContact CD2-CG2 3.8Å; F183-V185 HydrophobicContact CE2-CG2 3.77Å
184D94.9Very high93.8Very high32 Ų3232.8 Ų32.817%0.17120%0.196CC..EExtended strand (participates in β ladder)trans-98.6145177.9-64.2-43.5000110M129 N131 F175 S176 F186M129-D184 HydrophobicContact CE-CB 4.46Å; M129-D184 HydrophobicContact SD-CB 3.82Å; M129-D184 VanDerWaalsContact SD-CG 3.56Å; N131-D184 WeakPolarHBondContact CB-OD1 3.4Å; N131-D184 PolarHBondContact ND2-OD1 2.7Å; F175-D184 WeakPolarHBondContact CA-O 3.31Å; S176-D184 PolarHBondContact N-O 3.28Å; S176-D184 PolarHBondContact O-N 3.01Å; D184-F186 HydrophobicContact CB-CD1 4.22Å; D184-F186 HydrophobicContact CB-CE1 4.38Å
185V96.5Very high94Very high0 Ų031 Ų310%018%0.184CC..EExtended strand (participates in β ladder)trans-128124.1175.8-171.40000108.8F102 M129 L130 V132 L173 S174 F175 F183F102-V185 HydrophobicContact CE1-CB 4.33Å; F102-V185 HydrophobicContact CE1-CG1 4.37Å; F102-V185 HydrophobicContact CE1-CG2 4.32Å; F102-V185 HydrophobicContact CE2-CB 4.48Å; F102-V185 HydrophobicContact CE2-CG1 3.9Å; F102-V185 HydrophobicContact CE2-CG2 4.22Å; F102-V185 HydrophobicContact CZ-CB 3.9Å; F102-V185 HydrophobicContact CZ-CG1 3.8Å; F102-V185 HydrophobicContact CZ-CG2 3.56Å; M129-V185 CarbonylContact C-O 3.58Å; M129-V185 VanDerWaalsContact CA-O 3.31Å; M129-V185 WeakPolarHBondContact CA-O 3.4Å; M129-V185 VanDerWaalsContact CB-O 3.29Å; M129-V185 WeakPolarHBondContact CB-O 3.26Å; L130-V185 PolarHBondContact N-O 2.65Å; L130-V185 PolarHBondContact O-N 2.78Å; V132-V185 HydrophobicContact CG2-CG2 4.49Å; L173-V185 HydrophobicContact CB-CG1 4.39Å; L173-V185 HydrophobicContact CD1-CG1 4.42Å; L173-V185 HydrophobicContact CD2-CG1 4.25Å; S174-V185 WeakPolarHBondContact O-CA 3.32Å; F175-V185 HydrophobicContact CD1-CB 4.26Å; F175-V185 HydrophobicContact CD1-CG1 3.96Å; F175-V185 HydrophobicContact CD1-CG2 3.48Å; F175-V185 VanDerWaalsContact CD1-CG2 3.48Å; F175-V185 HydrophobicContact CE1-CB 4.28Å; F175-V185 HydrophobicContact CE1-CG1 3.61Å; F175-V185 HydrophobicContact CE1-CG2 3.67Å; F175-V185 HydrophobicContact CZ-CG1 4.09Å; F183-V185 HydrophobicContact CD2-CG2 3.8Å; F183-V185 HydrophobicContact CE2-CG2 3.77Å
186F95.4Very high94.1Very high34 Ų3429.8 Ų29.815%0.14918%0.179CC..EExtended strand (participates in β ladder)trans-147.7159.3-173.149.2-87.7000109.8M129 S174 D184 W190M129-F186 HydrophobicContact CB-CB 3.99Å; S174-F186 PolarHBondContact N-O 2.62Å; S174-F186 PolarHBondContact O-N 2.83Å; S174-F186 VanDerWaalsContact O-N 3.1Å; D184-F186 HydrophobicContact CB-CD1 4.22Å; D184-F186 HydrophobicContact CB-CE1 4.38Å; F186-W190 HydrophobicContact CD2-CB 4.28Å
187P96.9Very high94.3Very high0 Ų031.4 Ų31.40%018%0.183CC..EExtended strand (participates in β ladder)trans-61.3148.9175.8-22.135.2000112.2I90 M94 G172 G189 W190I90-P187 HydrophobicContact CD1-CG 4.26Å; I90-P187 HydrophobicContact CG1-CG 3.9Å; M94-P187 HydrophobicContact CG-CG 3.79Å; M94-P187 HydrophobicContact SD-CB 3.73Å; M94-P187 HydrophobicContact SD-CG 3.67Å; G172-P187 CarbonylContact O-C 3.54Å; G172-P187 VanDerWaalsContact O-CA 3.28Å; G172-P187 WeakPolarHBondContact O-CA 3.39Å; P187-G189 PolarHBondContact O-N 3.44Å; P187-W190 HydrophobicContact CB-CD2 3.83Å; P187-W190 HydrophobicContact CB-CE3 4.46Å; P187-W190 HydrophobicContact CB-CG 3.86Å; P187-W190 HydrophobicContact CB-CZ2 4.49Å; P187-W190 VanDerWaalsContact CD-CD2 3.49Å; P187-W190 HydrophobicContact CG-CD2 3.51Å; P187-W190 HydrophobicContact CG-CE3 3.66Å; P187-W190 HydrophobicContact CG-CG 4.05Å; P187-W190 HydrophobicContact CG-CH2 4.06Å; P187-W190 HydrophobicContact CG-CZ2 3.93Å; P187-W190 HydrophobicContact CG-CZ3 3.91Å; P187-W190 WeakPolarHBondContact O-CB 3.39Å; P187-W190 PolarHBondContact O-N 2.94Å; P187-W190 VanDerWaalsContact O-N 3.17Å
188D93.6Very high94.5Very high89 Ų8928.4 Ų28.448%0.47617%0.168SC..THydrogen-bonded Turntrans-56134.3175.3-69.5-21.7000110.9G172 L173 S174 W190G172-D188 VanDerWaalsContact CA-OD2 3.27Å; G172-D188 WeakPolarHBondContact CA-OD2 3.27Å; G172-D188 PolarHBondContact O-N 3.35Å; L173-D188 VanDerWaalsContact C-OD1 3.23Å; S174-D188 WeakPolarHBondContact CB-OD1 3.49Å; S174-D188 PolarHBondContact N-OD1 3.09Å; S174-D188 PolarHBondContact OG-OD1 3.06Å; D188-W190 VanDerWaalsContact C-N 3.32Å; D188-W190 PolarHBondContact O-N 2.79Å
189G91.6Very high95.1Very high30 Ų3027.1 Ų27.131%0.30916%0.155SC..THydrogen-bonded Turntrans80.72.4-179.600000115.5P187 D191P187-G189 PolarHBondContact O-N 3.44Å; G189-D191 PolarHBondContact O-N 2.99Å
190W95.4Very high95.3Very high9 Ų928.6 Ų28.63%0.03415%0.148CC..  trans-8118.8173.8-74.728.2000114.1N74 L76 Q88 I90 H93 G128 F186 P187 D188 Y194N74-W190 PolarHBondContact ND2-O 2.74Å; L76-W190 HydrophobicContact CD1-CD2 4.22Å; L76-W190 HydrophobicContact CD1-CE3 3.45Å; L76-W190 VanDerWaalsContact CD1-CE3 3.45Å; L76-W190 HydrophobicContact CD1-CH2 4.42Å; L76-W190 HydrophobicContact CD1-CZ3 3.6Å; L76-W190 HydrophobicContact CD2-CD2 3.58Å; L76-W190 HydrophobicContact CD2-CE3 3.57Å; L76-W190 HydrophobicContact CD2-CG 4.29Å; L76-W190 HydrophobicContact CD2-CH2 3.74Å; L76-W190 HydrophobicContact CD2-CZ2 3.75Å; L76-W190 HydrophobicContact CD2-CZ3 3.68Å; L76-W190 HydrophobicContact CG-CD2 4.45Å; L76-W190 HydrophobicContact CG-CE3 4.11Å; L76-W190 HydrophobicContact CG-CZ3 4.31Å; Q88-W190 HydrophobicContact CG-CH2 3.75Å; Q88-W190 HydrophobicContact CG-CZ2 3.61Å; I90-W190 HydrophobicContact CB-CH2 4.25Å; I90-W190 HydrophobicContact CB-CZ3 3.86Å; I90-W190 HydrophobicContact CG1-CZ3 4.39Å; H93-W190 HydrophobicContact CB-CH2 3.76Å; H93-W190 HydrophobicContact CB-CZ2 3.41Å; H93-W190 VanDerWaalsContact CB-CZ2 3.41Å; H93-W190 AromaticContact CD2-CE2 3.87Å; H93-W190 AromaticContact CD2-CZ2 3.62Å; H93-W190 AromaticContact CD2-NE1 3.85Å; H93-W190 AromaticContact CG-CZ2 3.43Å; H93-W190 VanDerWaalsContact CG-CZ2 3.43Å; H93-W190 AromaticContact NE2-NE1 3.79Å; G128-W190 WeakPolarHBondContact O-CZ3 3.5Å; F186-W190 HydrophobicContact CD2-CB 4.28Å; P187-W190 HydrophobicContact CB-CD2 3.83Å; P187-W190 HydrophobicContact CB-CE3 4.46Å; P187-W190 HydrophobicContact CB-CG 3.86Å; P187-W190 HydrophobicContact CB-CZ2 4.49Å; P187-W190 VanDerWaalsContact CD-CD2 3.49Å; P187-W190 HydrophobicContact CG-CD2 3.51Å; P187-W190 HydrophobicContact CG-CE3 3.66Å; P187-W190 HydrophobicContact CG-CG 4.05Å; P187-W190 HydrophobicContact CG-CH2 4.06Å; P187-W190 HydrophobicContact CG-CZ2 3.93Å; P187-W190 HydrophobicContact CG-CZ3 3.91Å; P187-W190 WeakPolarHBondContact O-CB 3.39Å; P187-W190 PolarHBondContact O-N 2.94Å; P187-W190 VanDerWaalsContact O-N 3.17Å; D188-W190 VanDerWaalsContact C-N 3.32Å; D188-W190 PolarHBondContact O-N 2.79Å; W190-Y194 AromaticContact CD1-CD2 3.63Å; W190-Y194 AromaticContact CD1-CE2 4Å; W190-Y194 HydrophobicContact CG-CD2 4.24Å; W190-Y194 AromaticContact NE1-CD2 3.77Å; W190-Y194 AromaticContact NE1-CE2 3.62Å
191D93.7Very high95.2Very high22 Ų2233.5 Ų33.512%0.11817%0.168CC..SBendtrans-73.1-174.4159.358.964.3000110.8G189 R193 Y194 E222G189-D191 PolarHBondContact O-N 2.99Å; D191-R193 PolarHBondContact O-N 3.17Å; D191-R193 WeakPolarHBondContact OD1-CB 3.49Å; D191-R193 VanDerWaalsContact OD1-CG 3.26Å; D191-R193 WeakPolarHBondContact OD1-CG 3.49Å; D191-R193 IonicContact OD1-CZ 3.76Å; D191-R193 PolarHBondContact OD1-N 3.49Å; D191-R193 IonicContact OD1-NE 3.68Å; D191-R193 PolarHBondContact OD1-NE 2.77Å; D191-R193 IonicContact OD1-NH2 3.78Å; D191-R193 IonicContact OD2-CZ 3.42Å; D191-R193 IonicContact OD2-NE 2.88Å; D191-R193 PolarHBondContact OD2-NE 2.79Å; D191-R193 IonicContact OD2-NH2 2.69Å; D191-R193 PolarHBondContact OD2-NH2 3.4Å; D191-Y194 WeakPolarHBondContact O-CB 3.33Å; D191-Y194 PolarHBondContact O-N 2.84Å; D191-E222 HydrophobicContact CB-CB 4.42Å; D191-E222 HydrophobicContact CB-CG 4.48Å
192K96.7Very high95Very high2 Ų235.1 Ų35.11%0.00918%0.177CC..G310 helixtrans-57.8-19.5-176-75.7-176.6171146.10113.9D15 V47 Y194 C195 F209 N219 D220 I223D15-K192 IonicContact OD1-NZ 2.84Å; D15-K192 PolarHBondContact OD1-NZ 3.35Å; V47-K192 HydrophobicContact CG1-CD 4.29Å; V47-K192 HydrophobicContact CG2-CB 4.32Å; V47-K192 HydrophobicContact CG2-CD 4.42Å; V47-K192 HydrophobicContact CG2-CG 4.01Å; K192-Y194 PolarHBondContact O-N 3.03Å; K192-C195 PolarHBondContact O-N 2.91Å; K192-C195 PolarHBondContact O-SG 2.94Å; K192-F209 HydrophobicContact CD-CZ 4.47Å; K192-N219 WeakPolarHBondContact CD-O 3.37Å; K192-N219 PolarHBondContact NZ-ND2 2.77Å; K192-D220 WeakPolarHBondContact CD-OD1 3.47Å; K192-D220 WeakPolarHBondContact CE-OD1 3.32Å; K192-D220 IonicContact NZ-OD1 2.7Å; K192-D220 PolarHBondContact NZ-OD1 2.74Å; K192-I223 HydrophobicContact CB-CB 3.77Å; K192-I223 HydrophobicContact CB-CD1 4.07Å; K192-I223 HydrophobicContact CB-CG2 3.51Å; K192-I223 HydrophobicContact CD-CG2 4.01Å; K192-I223 HydrophobicContact CG-CG2 4.39Å
193R96.5Very high94.7Very high86 Ų8641 Ų4133%0.32521%0.208SC..G310 helixtrans-63.3-20174.2-65176.4-66.1-173.4-7113.4D191 C195 L196 E222 I223 D226D191-R193 PolarHBondContact O-N 3.17Å; D191-R193 WeakPolarHBondContact OD1-CB 3.49Å; D191-R193 VanDerWaalsContact OD1-CG 3.26Å; D191-R193 WeakPolarHBondContact OD1-CG 3.49Å; D191-R193 IonicContact OD1-CZ 3.76Å; D191-R193 PolarHBondContact OD1-N 3.49Å; D191-R193 IonicContact OD1-NE 3.68Å; D191-R193 PolarHBondContact OD1-NE 2.77Å; D191-R193 IonicContact OD1-NH2 3.78Å; D191-R193 IonicContact OD2-CZ 3.42Å; D191-R193 IonicContact OD2-NE 2.88Å; D191-R193 PolarHBondContact OD2-NE 2.79Å; D191-R193 IonicContact OD2-NH2 2.69Å; D191-R193 PolarHBondContact OD2-NH2 3.4Å; R193-C195 PolarHBondContact O-N 3.02Å; R193-L196 HydrophobicContact CB-CD1 4.35Å; R193-L196 HydrophobicContact CG-CD1 4.33Å; R193-L196 WeakPolarHBondContact O-CB 3.36Å; R193-L196 PolarHBondContact O-N 3.17Å; R193-E222 WeakPolarHBondContact CD-O 3.42Å; R193-E222 HydrophobicContact CG-CB 4.08Å; R193-I223 HydrophobicContact CG-CB 4.25Å; R193-D226 VanDerWaalsContact CD-OD2 3.31Å; R193-D226 WeakPolarHBondContact CD-OD2 3.41Å; R193-D226 HydrophobicContact CG-CB 4.22Å
194Y96.9Very high94.7Very high41 Ų4142.6 Ų42.616%0.16121%0.214CC..G310 helixtrans-55.2-37.4177.3-175.8-87.5000112.2G75 L76 Q88 W190 D191 K192 L196 D197 I198G75-Y194 WeakPolarHBondContact O-CE1 3.43Å; L76-Y194 HydrophobicContact CD2-CD1 4.1Å; L76-Y194 HydrophobicContact CD2-CD2 4.22Å; L76-Y194 HydrophobicContact CD2-CE1 3.79Å; L76-Y194 HydrophobicContact CD2-CE2 3.91Å; L76-Y194 HydrophobicContact CD2-CG 4.31Å; Q88-Y194 WeakPolarHBondContact CB-OH 3.4Å; W190-Y194 AromaticContact CD1-CD2 3.63Å; W190-Y194 AromaticContact CD1-CE2 4Å; W190-Y194 HydrophobicContact CG-CD2 4.24Å; W190-Y194 AromaticContact NE1-CD2 3.77Å; W190-Y194 AromaticContact NE1-CE2 3.62Å; D191-Y194 WeakPolarHBondContact O-CB 3.33Å; D191-Y194 PolarHBondContact O-N 2.84Å; K192-Y194 PolarHBondContact O-N 3.03Å; Y194-L196 PolarHBondContact O-N 2.77Å; Y194-D197 PolarHBondContact O-N 2.9Å; Y194-I198 HydrophobicContact CE1-CD1 4.29Å
195C97.6Very high94.7Very high0 Ų045.5 Ų45.50%024%0.237CC..G310 helixtrans-67.2-22.6177.8790000113.1V47 F71 N74 K192 R193 D197 I198 V199V47-C195 HydrophobicContact CG2-CB 4.33Å; F71-C195 HydrophobicContact CB-CB 4.07Å; F71-C195 HydrophobicContact CD1-CB 3.77Å; F71-C195 HydrophobicContact CD2-CB 3.65Å; F71-C195 HydrophobicContact CE1-CB 4.06Å; F71-C195 HydrophobicContact CE2-CB 3.93Å; F71-C195 HydrophobicContact CG-CB 3.55Å; F71-C195 HydrophobicContact CZ-CB 4.13Å; N74-C195 PolarHBondContact O-N 2.84Å; K192-C195 PolarHBondContact O-N 2.91Å; K192-C195 PolarHBondContact O-SG 2.94Å; R193-C195 PolarHBondContact O-N 3.02Å; C195-D197 VanDerWaalsContact C-N 3.31Å; C195-D197 PolarHBondContact O-N 3.13Å; C195-I198 WeakPolarHBondContact O-CB 3.43Å; C195-I198 PolarHBondContact O-N 3.21Å; C195-I198 VanDerWaalsContact O-N 3.12Å; C195-V199 PolarHBondContact O-N 2.81Å
196L97.6Very high94.8Very high1 Ų147.8 Ų47.81%0.00525%0.251CS..Hα-helixtrans-64.3-36.8179.9-61.9-179.4000111.4L13 R193 Y194 I198 V199 D200 I207 I223 D226 R228 T229L13-L196 HydrophobicContact CD1-CD2 3.97Å; R193-L196 HydrophobicContact CB-CD1 4.35Å; R193-L196 HydrophobicContact CG-CD1 4.33Å; R193-L196 WeakPolarHBondContact O-CB 3.36Å; R193-L196 PolarHBondContact O-N 3.17Å; Y194-L196 PolarHBondContact O-N 2.77Å; L196-I198 PolarHBondContact O-N 3.49Å; L196-V199 HydrophobicContact CD2-CG2 4.21Å; L196-V199 VanDerWaalsContact O-CG2 3.28Å; L196-V199 WeakPolarHBondContact O-CG2 3.27Å; L196-V199 PolarHBondContact O-N 3.25Å; L196-D200 VanDerWaalsContact O-CB 3.3Å; L196-D200 WeakPolarHBondContact O-CB 3.3Å; L196-D200 PolarHBondContact O-N 3Å; L196-I207 HydrophobicContact CD2-CG2 4.49Å; L196-I223 HydrophobicContact CD1-CG1 4.21Å; L196-I223 HydrophobicContact CD2-CD1 4.15Å; L196-I223 HydrophobicContact CD2-CG1 4.44Å; L196-I223 HydrophobicContact CG-CD1 4.32Å; L196-I223 HydrophobicContact CG-CG1 4.44Å; L196-D226 HydrophobicContact CD1-CB 3.8Å; L196-D226 VanDerWaalsContact CD1-CG 3.47Å; L196-R228 VanDerWaalsContact CB-CZ 3.44Å; L196-R228 HydrophobicContact CD1-CB 4.46Å; L196-T229 HydrophobicContact CD1-CG2 3.88Å; L196-T229 HydrophobicContact CD2-CG2 3.85Å
197D94.9Very high94.9Very high90 Ų9046.7 Ų46.748%0.48125%0.246SC..Hα-helixtrans-66.1-20.4177.6-63.4-11.6000112.9Y194 C195 R228Y194-D197 PolarHBondContact O-N 2.9Å; C195-D197 VanDerWaalsContact C-N 3.31Å; C195-D197 PolarHBondContact O-N 3.13Å; D197-R228 IonicContact OD1-CZ 3.78Å; D197-R228 IonicContact OD1-NH1 2.77Å; D197-R228 PolarHBondContact OD1-NH1 3.14Å; D197-R228 IonicContact OD1-NH2 3.9Å
198I95.3Very high95Very high12 Ų1247.7 Ų47.76%0.06225%0.251CS..Hα-helixtrans-80.8-48.3175-58.9174.7000110F71 G75 A78 Y194 C195 L196F71-I198 HydrophobicContact CD1-CD1 4.28Å; F71-I198 HydrophobicContact CE1-CB 4.1Å; F71-I198 HydrophobicContact CE1-CD1 3.88Å; F71-I198 HydrophobicContact CE1-CG2 4Å; F71-I198 HydrophobicContact CZ-CB 4.43Å; F71-I198 HydrophobicContact CZ-CG2 4.35Å; G75-I198 WeakPolarHBondContact O-CD1 3.34Å; A78-I198 HydrophobicContact CB-CD1 3.66Å; Y194-I198 HydrophobicContact CE1-CD1 4.29Å; C195-I198 WeakPolarHBondContact O-CB 3.43Å; C195-I198 PolarHBondContact O-N 3.21Å; C195-I198 VanDerWaalsContact O-N 3.12Å; L196-I198 PolarHBondContact O-N 3.49Å
199V94.8Very high95.3Very high0 Ų043.5 Ų43.50%023%0.228CC..Hα-helixtrans-75.5-23.5-177.2-57.70000113.3L11 Y69 F71 C195 L196 K201 D202 Y204 I207L11-V199 HydrophobicContact CD2-CB 4.03Å; L11-V199 HydrophobicContact CD2-CG1 3.81Å; L11-V199 HydrophobicContact CD2-CG2 4.41Å; Y69-V199 HydrophobicContact CD1-CG1 4.29Å; Y69-V199 HydrophobicContact CE1-CG1 4.23Å; Y69-V199 HydrophobicContact CG-CG1 4.47Å; F71-V199 HydrophobicContact CE2-CG1 3.81Å; F71-V199 HydrophobicContact CZ-CG1 3.54Å; C195-V199 PolarHBondContact O-N 2.81Å; L196-V199 HydrophobicContact CD2-CG2 4.21Å; L196-V199 VanDerWaalsContact O-CG2 3.28Å; L196-V199 WeakPolarHBondContact O-CG2 3.27Å; L196-V199 PolarHBondContact O-N 3.25Å; V199-K201 PolarHBondContact O-N 3.06Å; V199-D202 WeakPolarHBondContact O-CB 3.46Å; V199-D202 PolarHBondContact O-N 3.42Å; V199-Y204 HydrophobicContact CB-CD2 4.4Å; V199-Y204 HydrophobicContact CB-CE2 4.45Å; V199-I207 HydrophobicContact CG2-CD1 3.8Å
200D90.9Very high95.6Very high92 Ų9242 Ų4249%0.49221%0.214SC..G310 helixtrans-60.1-30.3178.6-160.443.2000111.7L196 D202 N203L196-D200 VanDerWaalsContact O-CB 3.3Å; L196-D200 WeakPolarHBondContact O-CB 3.3Å; L196-D200 PolarHBondContact O-N 3Å; D200-D202 PolarHBondContact O-N 2.83Å; D200-D202 VanDerWaalsContact O-N 3.1Å; D200-N203 PolarHBondContact O-N 3Å
201K90Very high95.8Very high150 Ų15041.6 Ų41.665%0.65221%0.212SC*.G310 helixtrans-64.8-14.9176-62.3178.4-175.7173.40113.5V199V199-K201 PolarHBondContact O-N 3.06Å
202D91.4Very high96Very high36 Ų3642.7 Ų42.719%0.19322%0.218CC..G310 helixtrans-99.30.9-176.2-57.7-39.9000113.3Y69 R80 V199 D200 Y204Y69-D202 PolarHBondContact OH-OD2 2.73Å; R80-D202 IonicContact CZ-OD1 3.6Å; R80-D202 IonicContact CZ-OD2 2.77Å; R80-D202 IonicContact NE-OD2 3.49Å; R80-D202 IonicContact NH1-OD1 3.02Å; R80-D202 PolarHBondContact NH1-OD1 2.74Å; R80-D202 IonicContact NH1-OD2 3.53Å; R80-D202 PolarHBondContact NH1-OD2 3.28Å; R80-D202 IonicContact NH2-OD1 3.02Å; R80-D202 PolarHBondContact NH2-OD1 2.8Å; R80-D202 IonicContact NH2-OD2 2.55Å; R80-D202 PolarHBondContact NH2-OD2 3.46Å; V199-D202 WeakPolarHBondContact O-CB 3.46Å; V199-D202 PolarHBondContact O-N 3.42Å; D200-D202 PolarHBondContact O-N 2.83Å; D200-D202 VanDerWaalsContact O-N 3.1Å; D202-Y204 VanDerWaalsContact C-N 3.31Å; D202-Y204 HydrophobicContact CB-CD2 4.04Å; D202-Y204 HydrophobicContact CB-CE2 3.63Å; D202-Y204 PolarHBondContact O-N 2.68Å
203N91.1Very high95.9Very high135 Ų13547.3 Ų47.372%0.72224%0.238SC*.THydrogen-bonded Turntrans53.843.7171-55-67.2000113.3D200 S205D200-N203 PolarHBondContact O-N 3Å; N203-S205 PolarHBondContact O-N 2.98Å
204Y96.3Very high96Very high33 Ų3343.4 Ų43.413%0.12922%0.223CC..  trans-62.8133.4170-69.9-70.9000110.1T8 S9 L11 R43 Y69 V199 D202 T206T8-Y204 VanDerWaalsContact O-CE1 3.32Å; T8-Y204 WeakPolarHBondContact O-CE1 3.46Å; S9-Y204 CarbonylContact O-C 3.55Å; S9-Y204 WeakPolarHBondContact O-CA 3.39Å; L11-Y204 HydrophobicContact CB-CD1 3.84Å; L11-Y204 HydrophobicContact CB-CD2 4.03Å; L11-Y204 HydrophobicContact CB-CE1 4Å; L11-Y204 HydrophobicContact CB-CE2 4.17Å; L11-Y204 HydrophobicContact CB-CG 3.88Å; L11-Y204 HydrophobicContact CD2-CD2 3.96Å; L11-Y204 HydrophobicContact CD2-CE2 3.84Å; R43-Y204 HydrophobicContact CB-CE1 4.15Å; R43-Y204 HydrophobicContact CG-CE1 3.84Å; Y69-Y204 HydrophobicContact CE2-CE2 4.08Å; Y69-Y204 WeakPolarHBondContact CE2-OH 3.42Å; Y69-Y204 PolarHBondContact OH-OH 2.77Å; V199-Y204 HydrophobicContact CB-CD2 4.4Å; V199-Y204 HydrophobicContact CB-CE2 4.45Å; D202-Y204 VanDerWaalsContact C-N 3.31Å; D202-Y204 HydrophobicContact CB-CD2 4.04Å; D202-Y204 HydrophobicContact CB-CE2 3.63Å; D202-Y204 PolarHBondContact O-N 2.68Å; Y204-T206 VanDerWaalsContact C-N 3.33Å
205S96.5Very high95.9Very high94 Ų9447.2 Ų47.266%0.65724%0.241SC*.SBendtrans-67.9-37.6174.5-58.70000111.4S9 N203S9-S205 PolarHBondContact O-N 3.16Å; N203-S205 PolarHBondContact O-N 2.98Å
206T97.8Very high95.6Very high48 Ų4852.2 Ų52.229%0.29427%0.273SS..EExtended strand (participates in β ladder)trans-140.5130.1-178.4-47.90000110S9 T10 L11 Y204 H208 V230S9-T206 PolarHBondContact O-N 3.08Å; T10-T206 WeakPolarHBondContact CA-O 3.4Å; L11-T206 PolarHBondContact N-O 2.63Å; Y204-T206 VanDerWaalsContact C-N 3.33Å; T206-H208 WeakPolarHBondContact CG2-NE2 3.44Å; T206-V230 HydrophobicContact CG2-CG2 3.78Å
207I98.6Very high94.9Very high10 Ų1056 Ų565%0.05131%0.313CS..EExtended strand (participates in β ladder)trans-113.9110.1171.4-56.6172000107.4L11 L13 L196 V199 T229 V230L11-I207 HydrophobicContact CD2-CG2 4.4Å; L11-I207 CarbonylContact O-C 3.57Å; L11-I207 WeakPolarHBondContact O-CA 3.31Å; L13-I207 HydrophobicContact CD1-CG2 3.84Å; L13-I207 HydrophobicContact CG-CG2 4.16Å; L196-I207 HydrophobicContact CD2-CG2 4.49Å; V199-I207 HydrophobicContact CG2-CD1 3.8Å; I207-T229 HydrophobicContact CG2-CG2 4.28Å; I207-T229 CarbonylContact O-C 3.55Å; I207-T229 VanDerWaalsContact O-CA 3.25Å; I207-T229 WeakPolarHBondContact O-CA 3.14Å; I207-V230 PolarHBondContact O-N 2.65Å
208H98.8Very high94.6Very high22 Ų2252.6 Ų52.610%0.10230%0.299CS..EExtended strand (participates in β ladder)trans-84.2132.6170-67.5-108.6000108.7L11 C12 L13 T206 F210 V230 H232 F248L11-H208 PolarHBondContact O-N 2.84Å; C12-H208 CarbonylContact C-O 3.54Å; C12-H208 WeakPolarHBondContact CA-O 3.37Å; L13-H208 PolarHBondContact N-O 2.95Å; T206-H208 WeakPolarHBondContact CG2-NE2 3.44Å; H208-F210 HydrophobicContact CB-CD2 4.49Å; H208-F210 HydrophobicContact CB-CE2 3.69Å; H208-F210 HydrophobicContact CB-CZ 4.26Å; H208-V230 WeakPolarHBondContact CA-O 3.08Å; H208-H232 AromaticContact CE1-NE2 3.92Å; H208-H232 AromaticContact CG-NE2 3.76Å; H208-H232 AromaticContact ND1-CD2 3.86Å; H208-H232 AromaticContact ND1-CE1 3.67Å; H208-H232 AromaticContact ND1-NE2 2.94Å; H208-H232 PolarHBondContact ND1-NE2 2.84Å; H208-F248 AromaticContact CD2-CZ 3.98Å; H208-F248 AromaticContact NE2-CZ 3.99Å
209F98.8Very high94.5Very high0 Ų055.4 Ų55.40%031%0.314CS..EExtended strand (participates in β ladder)trans-116.7131.9171.5174.2-95.3000110.2L13 D15 V47 K192 D220 I223 T229 V230 G231 H232L13-F209 HydrophobicContact CB-CD2 4.1Å; L13-F209 CarbonylContact O-C 3.54Å; L13-F209 WeakPolarHBondContact O-CA 2.9Å; D15-F209 HydrophobicContact CB-CZ 4.21Å; V47-F209 HydrophobicContact CG1-CE2 3.88Å; K192-F209 HydrophobicContact CD-CZ 4.47Å; F209-D220 HydrophobicContact CE1-CB 3.84Å; F209-D220 HydrophobicContact CZ-CB 3.98Å; F209-D220 WeakPolarHBondContact CZ-OD1 3.24Å; F209-I223 HydrophobicContact CB-CG1 4.44Å; F209-I223 HydrophobicContact CD1-CG1 4.39Å; F209-I223 HydrophobicContact CD1-CG2 3.99Å; F209-I223 HydrophobicContact CD2-CD1 3.51Å; F209-I223 HydrophobicContact CD2-CG1 3.76Å; F209-I223 HydrophobicContact CD2-CG2 4.07Å; F209-I223 HydrophobicContact CE1-CG2 3.6Å; F209-I223 HydrophobicContact CE2-CD1 3.79Å; F209-I223 HydrophobicContact CE2-CG1 4.15Å; F209-I223 HydrophobicContact CE2-CG2 3.66Å; F209-I223 HydrophobicContact CG-CD1 4.16Å; F209-I223 HydrophobicContact CG-CG1 3.89Å; F209-I223 HydrophobicContact CG-CG2 4.22Å; F209-I223 HydrophobicContact CZ-CG2 3.42Å; F209-I223 VanDerWaalsContact CZ-CG2 3.42Å; F209-T229 HydrophobicContact CB-CG2 4.28Å; F209-V230 PolarHBondContact N-O 3.03Å; F209-G231 CarbonylContact O-C 3.54Å; F209-H232 PolarHBondContact O-CD2 3.45Å; F209-H232 PolarHBondContact O-N 3.01Å
210F98.8Very high94.6Very high0 Ų055.4 Ų55.40%031%0.314CS..EExtended strand (participates in β ladder)trans-116.2130176.4-59.9-99.7000109.6C12 L13 F14 D15 T19 H208 H232 V234 T240 L243 C244 L247C12-F210 HydrophobicContact CB-CE2 4.12Å; L13-F210 PolarHBondContact O-N 3.35Å; F14-F210 HydrophobicContact CD1-CB 3.67Å; F14-F210 AromaticContact CD1-CD2 3.66Å; F14-F210 HydrophobicContact CD1-CD2 3.66Å; F14-F210 AromaticContact CD1-CG 3.8Å; F14-F210 HydrophobicContact CD1-CG 3.8Å; F14-F210 HydrophobicContact CE1-CB 4.05Å; F14-F210 HydrophobicContact CE1-CD1 4.33Å; F14-F210 AromaticContact CE1-CD2 3.28Å; F14-F210 HydrophobicContact CE1-CD2 3.28Å; F14-F210 AromaticContact CE1-CE2 3.76Å; F14-F210 HydrophobicContact CE1-CE2 3.76Å; F14-F210 AromaticContact CE1-CG 3.64Å; F14-F210 HydrophobicContact CE1-CG 3.64Å; F14-F210 HydrophobicContact CE1-CZ 4.46Å; F14-F210 HydrophobicContact CG-CD2 4.48Å; F14-F210 AromaticContact CZ-CD2 3.87Å; F14-F210 HydrophobicContact CZ-CD2 3.87Å; F14-F210 AromaticContact CZ-CE2 3.98Å; F14-F210 HydrophobicContact CZ-CE2 3.98Å; D15-F210 PolarHBondContact N-O 2.78Å; T19-F210 HydrophobicContact CG2-CB 4.04Å; T19-F210 WeakPolarHBondContact CG2-O 3.19Å; H208-F210 HydrophobicContact CB-CD2 4.49Å; H208-F210 HydrophobicContact CB-CE2 3.69Å; H208-F210 HydrophobicContact CB-CZ 4.26Å; F210-H232 WeakPolarHBondContact CA-O 3.43Å; F210-H232 HydrophobicContact CD1-CB 3.45Å; F210-H232 VanDerWaalsContact CD1-CB 3.45Å; F210-H232 AromaticContact CD1-CG 3.89Å; F210-H232 HydrophobicContact CE1-CB 3.65Å; F210-H232 AromaticContact CE1-CD2 3.81Å; F210-H232 AromaticContact CE1-CG 3.57Å; F210-H232 HydrophobicContact CG-CB 4.1Å; F210-H232 HydrophobicContact CZ-CB 4.44Å; F210-H232 AromaticContact CZ-CD2 3.75Å; F210-H232 AromaticContact CZ-CG 3.98Å; F210-V234 HydrophobicContact CD1-CG1 4.37Å; F210-T240 HydrophobicContact CB-CG2 4.4Å; F210-T240 HydrophobicContact CD1-CG2 4.35Å; F210-T240 HydrophobicContact CG-CG2 4.44Å; F210-L243 HydrophobicContact CE1-CB 4.13Å; F210-C244 VanDerWaalsContact CZ-SG 3.52Å; F210-L247 HydrophobicContact CE1-CD1 4.42Å; F210-L247 HydrophobicContact CZ-CD1 4.04Å
211G98.5Very high94.8Very high0 Ų054.2 Ų54.20%030%0.304CS..EExtended strand (participates in β ladder)trans-156.5155.2-179.600000113.9T19 T214 H232 V234T19-G211 WeakPolarHBondContact OG1-CA 3.44Å; G211-T214 WeakPolarHBondContact O-CG2 3.29Å; G211-H232 PolarHBondContact N-O 3Å; G211-H232 VanDerWaalsContact N-O 3.17Å; G211-V234 WeakPolarHBondContact O-CG2 3.36Å; G211-V234 PolarHBondContact O-N 2.83Å
212D98.1Very high95.1Very high44 Ų4449.6 Ų49.624%0.23529%0.285CS..SBendtrans-94.5-22.3-177.980.9-44000113.6T19 D220 V234T19-D212 PolarHBondContact OG1-N 2.61Å; D212-D220 PolarHBondContact N-OD2 3.28Å; D212-D220 VanDerWaalsContact N-OD2 3.13Å; D212-V234 VanDerWaalsContact CA-O 3.27Å; D212-V234 WeakPolarHBondContact CA-O 3.37Å
213K95.7Very high95.5Very high99 Ų9947.9 Ų47.943%0.4328%0.276SS..  trans-117.855.6-174.4-73.7170.6-163.6163.40112K215 G218 N219 D220 F221K213-K215 VanDerWaalsContact C-N 3.34Å; K213-K215 PolarHBondContact O-N 3.1Å; K213-G218 CarbonylContact O-C 3.59Å; K213-G218 VanDerWaalsContact O-C 3.29Å; K213-G218 VanDerWaalsContact O-CA 3.25Å; K213-G218 WeakPolarHBondContact O-CA 3.34Å; K213-N219 WeakPolarHBondContact CB-OD1 3.12Å; K213-N219 WeakPolarHBondContact CD-OD1 3.18Å; K213-D220 PolarHBondContact N-OD2 2.96Å; K213-D220 WeakPolarHBondContact O-CB 3.42Å; K213-D220 PolarHBondContact O-N 3.12Å; K213-D220 VanDerWaalsContact O-N 3.16Å; K213-F221 PolarHBondContact O-N 3.5Å
214T97.3Very high95.8Very high4 Ų445 Ų453%0.02526%0.255CS..  trans-86.11.2-175.460.90000113.8G211 D220 F221 Y224 E233G211-T214 WeakPolarHBondContact O-CG2 3.29Å; T214-D220 HydrophobicContact CG2-CB 4.07Å; T214-F221 VanDerWaalsContact O-CD2 3.31Å; T214-F221 WeakPolarHBondContact O-CD2 3.49Å; T214-Y224 HydrophobicContact CG2-CD1 4.39Å; T214-Y224 HydrophobicContact CG2-CD2 3.44Å; T214-Y224 VanDerWaalsContact CG2-CD2 3.44Å; T214-Y224 HydrophobicContact CG2-CE2 4.05Å; T214-Y224 HydrophobicContact CG2-CG 3.64Å; T214-E233 HydrophobicContact CG2-CB 4.17Å; T214-E233 HydrophobicContact CG2-CG 4.35Å; T214-E233 VanDerWaalsContact OG1-CG 3.26Å; T214-E233 WeakPolarHBondContact OG1-CG 3.48Å; T214-E233 PolarHBondContact OG1-OE2 3.15Å
215K95.3Very high95.9Very high122 Ų12246.4 Ų46.453%0.5327%0.27SS..SBendtrans-86154.8176.1-56.4-53.4-175.5-155.70111K213 G217 G218 E233K213-K215 VanDerWaalsContact C-N 3.34Å; K213-K215 PolarHBondContact O-N 3.1Å; K215-G217 PolarHBondContact O-N 3.28Å; K215-G218 WeakPolarHBondContact O-CA 3.46Å; K215-G218 PolarHBondContact O-N 3.41Å; K215-E233 WeakPolarHBondContact CE-OE1 3.49Å; K215-E233 WeakPolarHBondContact CE-OE2 3.42Å; K215-E233 IonicContact NZ-OE1 2.89Å; K215-E233 PolarHBondContact NZ-OE1 3.39Å; K215-E233 IonicContact NZ-OE2 3.74Å; K215-E233 PolarHBondContact NZ-OE2 2.92Å
216P90.6Very high95.9Very high104 Ų10442.6 Ų42.668%0.67524%0.243SC*.THydrogen-bonded Turntrans-48.1126.2177.5-29.435000113.2F221P216-F221 HydrophobicContact CB-CE2 4.49Å; P216-F221 HydrophobicContact CG-CD2 4.15Å; P216-F221 HydrophobicContact CG-CE2 3.77Å; P216-F221 HydrophobicContact CG-CZ 4.11Å
217G84Confident95.9Very high82 Ų8246.5 Ų46.585%0.84527%0.269SS*.THydrogen-bonded Turntrans89.9-9.3-175.400000114.9K215K215-G217 PolarHBondContact O-N 3.28Å
218G88.8Confident95.9Very high17 Ų1749.8 Ų49.818%0.17528%0.281CS..SBendtrans-78.6153.2165.400000111.5K213 K215 D220 F221K213-G218 CarbonylContact O-C 3.59Å; K213-G218 VanDerWaalsContact O-C 3.29Å; K213-G218 VanDerWaalsContact O-CA 3.25Å; K213-G218 WeakPolarHBondContact O-CA 3.34Å; K215-G218 WeakPolarHBondContact O-CA 3.46Å; K215-G218 PolarHBondContact O-N 3.41Å; G218-D220 PolarHBondContact O-N 3.42Å; G218-F221 WeakPolarHBondContact O-CB 3.46Å; G218-F221 PolarHBondContact O-N 3.47Å
219N92Very high95.9Very high72 Ų7249.6 Ų49.639%0.38528%0.281SS..THydrogen-bonded Turntrans-76.9-3.8-175.164.4-30.9000114.2K192 K213K192-N219 WeakPolarHBondContact CD-O 3.37Å; K192-N219 PolarHBondContact NZ-ND2 2.77Å; K213-N219 WeakPolarHBondContact CB-OD1 3.12Å; K213-N219 WeakPolarHBondContact CD-OD1 3.18Å
220D97.1Very high95.9Very high0 Ų052.9 Ų52.90%030%0.301CS..THydrogen-bonded Turntrans-101.5-13.3173.7-61.7-45.4000113K192 F209 D212 K213 T214 G218 E222 I223 Y224K192-D220 WeakPolarHBondContact CD-OD1 3.47Å; K192-D220 WeakPolarHBondContact CE-OD1 3.32Å; K192-D220 IonicContact NZ-OD1 2.7Å; K192-D220 PolarHBondContact NZ-OD1 2.74Å; F209-D220 HydrophobicContact CE1-CB 3.84Å; F209-D220 HydrophobicContact CZ-CB 3.98Å; F209-D220 WeakPolarHBondContact CZ-OD1 3.24Å; D212-D220 PolarHBondContact N-OD2 3.28Å; D212-D220 VanDerWaalsContact N-OD2 3.13Å; K213-D220 PolarHBondContact N-OD2 2.96Å; K213-D220 WeakPolarHBondContact O-CB 3.42Å; K213-D220 PolarHBondContact O-N 3.12Å; K213-D220 VanDerWaalsContact O-N 3.16Å; T214-D220 HydrophobicContact CG2-CB 4.07Å; G218-D220 PolarHBondContact O-N 3.42Å; D220-E222 VanDerWaalsContact C-N 3.29Å; D220-E222 PolarHBondContact O-N 3.05Å; D220-I223 VanDerWaalsContact O-CG2 3.24Å; D220-I223 WeakPolarHBondContact O-CG2 3.41Å; D220-I223 PolarHBondContact O-N 3.17Å; D220-Y224 WeakPolarHBondContact O-CB 3.48Å; D220-Y224 PolarHBondContact O-N 3.36Å
221F96.4Very high95.8Very high66 Ų6653.9 Ų53.929%0.28931%0.311SS..Hα-helixtrans-53.9-46.6-170.6172.9-109.1000112.4K213 T214 P216 G218 S225K213-F221 PolarHBondContact O-N 3.5Å; T214-F221 VanDerWaalsContact O-CD2 3.31Å; T214-F221 WeakPolarHBondContact O-CD2 3.49Å; P216-F221 HydrophobicContact CB-CE2 4.49Å; P216-F221 HydrophobicContact CG-CD2 4.15Å; P216-F221 HydrophobicContact CG-CE2 3.77Å; P216-F221 HydrophobicContact CG-CZ 4.11Å; G218-F221 WeakPolarHBondContact O-CB 3.46Å; G218-F221 PolarHBondContact O-N 3.47Å; F221-S225 WeakPolarHBondContact CE2-OG 3.5Å; F221-S225 VanDerWaalsContact O-CB 3.23Å; F221-S225 WeakPolarHBondContact O-CB 3.41Å; F221-S225 PolarHBondContact O-N 2.9Å; F221-S225 PolarHBondContact O-OG 3.5Å
222E96.3Very high95.8Very high54 Ų5455.4 Ų55.425%0.25232%0.318SS..Hα-helixtrans-67.2-44.9-175.7-69.276.6-162.200112.5D191 R193 D220 D226D191-E222 HydrophobicContact CB-CB 4.42Å; D191-E222 HydrophobicContact CB-CG 4.48Å; R193-E222 WeakPolarHBondContact CD-O 3.42Å; R193-E222 HydrophobicContact CG-CB 4.08Å; D220-E222 VanDerWaalsContact C-N 3.29Å; D220-E222 PolarHBondContact O-N 3.05Å; E222-D226 PolarHBondContact O-N 3.46Å; E222-D226 VanDerWaalsContact O-N 3.14Å
223I98.1Very high95.9Very high0 Ų057 Ų570%032%0.324CS..Hα-helixtrans-72.1-39.9177.9-177.6165.2000111.5V47 K192 R193 L196 F209 D220 S225 D226 T229V47-I223 HydrophobicContact CG1-CD1 4.38Å; K192-I223 HydrophobicContact CB-CB 3.77Å; K192-I223 HydrophobicContact CB-CD1 4.07Å; K192-I223 HydrophobicContact CB-CG2 3.51Å; K192-I223 HydrophobicContact CD-CG2 4.01Å; K192-I223 HydrophobicContact CG-CG2 4.39Å; R193-I223 HydrophobicContact CG-CB 4.25Å; L196-I223 HydrophobicContact CD1-CG1 4.21Å; L196-I223 HydrophobicContact CD2-CD1 4.15Å; L196-I223 HydrophobicContact CD2-CG1 4.44Å; L196-I223 HydrophobicContact CG-CD1 4.32Å; L196-I223 HydrophobicContact CG-CG1 4.44Å; F209-I223 HydrophobicContact CB-CG1 4.44Å; F209-I223 HydrophobicContact CD1-CG1 4.39Å; F209-I223 HydrophobicContact CD1-CG2 3.99Å; F209-I223 HydrophobicContact CD2-CD1 3.51Å; F209-I223 HydrophobicContact CD2-CG1 3.76Å; F209-I223 HydrophobicContact CD2-CG2 4.07Å; F209-I223 HydrophobicContact CE1-CG2 3.6Å; F209-I223 HydrophobicContact CE2-CD1 3.79Å; F209-I223 HydrophobicContact CE2-CG1 4.15Å; F209-I223 HydrophobicContact CE2-CG2 3.66Å; F209-I223 HydrophobicContact CG-CD1 4.16Å; F209-I223 HydrophobicContact CG-CG1 3.89Å; F209-I223 HydrophobicContact CG-CG2 4.22Å; F209-I223 HydrophobicContact CZ-CG2 3.42Å; F209-I223 VanDerWaalsContact CZ-CG2 3.42Å; D220-I223 VanDerWaalsContact O-CG2 3.24Å; D220-I223 WeakPolarHBondContact O-CG2 3.41Å; D220-I223 PolarHBondContact O-N 3.17Å; I223-S225 VanDerWaalsContact C-N 3.27Å; I223-S225 PolarHBondContact O-N 3.41Å; I223-D226 WeakPolarHBondContact O-CB 3.41Å; I223-D226 PolarHBondContact O-N 2.98Å; I223-T229 HydrophobicContact CG1-CG2 4.23Å; I223-T229 PolarHBondContact O-OG1 3.23Å
224Y98.4Very high96Very high73 Ų7352.5 Ų52.529%0.28631%0.305SS..Hα-helixtrans-61.1-37.1176.8170.4-90.7000112.4T214 D220 E233T214-Y224 HydrophobicContact CG2-CD1 4.39Å; T214-Y224 HydrophobicContact CG2-CD2 3.44Å; T214-Y224 VanDerWaalsContact CG2-CD2 3.44Å; T214-Y224 HydrophobicContact CG2-CE2 4.05Å; T214-Y224 HydrophobicContact CG2-CG 3.64Å; D220-Y224 WeakPolarHBondContact O-CB 3.48Å; D220-Y224 PolarHBondContact O-N 3.36Å; Y224-E233 HydrophobicContact CE2-CB 4.17Å
225S97.8Very high96Very high63 Ų6357 Ų5744%0.44134%0.337SS..THydrogen-bonded Turntrans-91.1-3-179-50.50000113.2F221 I223F221-S225 WeakPolarHBondContact CE2-OG 3.5Å; F221-S225 VanDerWaalsContact O-CB 3.23Å; F221-S225 WeakPolarHBondContact O-CB 3.41Å; F221-S225 PolarHBondContact O-N 2.9Å; F221-S225 PolarHBondContact O-OG 3.5Å; I223-S225 VanDerWaalsContact C-N 3.27Å; I223-S225 PolarHBondContact O-N 3.41Å
226D97.9Very high96.1Very high14 Ų1452.5 Ų52.58%0.07532%0.321CS..  trans-69.3129.8-179.6-167.7-64.6000109.7R193 L196 E222 I223 R228 T229R193-D226 VanDerWaalsContact CD-OD2 3.31Å; R193-D226 WeakPolarHBondContact CD-OD2 3.41Å; R193-D226 HydrophobicContact CG-CB 4.22Å; L196-D226 HydrophobicContact CD1-CB 3.8Å; L196-D226 VanDerWaalsContact CD1-CG 3.47Å; E222-D226 PolarHBondContact O-N 3.46Å; E222-D226 VanDerWaalsContact O-N 3.14Å; I223-D226 WeakPolarHBondContact O-CB 3.41Å; I223-D226 PolarHBondContact O-N 2.98Å; D226-R228 PolarHBondContact O-N 3.22Å; D226-R228 VanDerWaalsContact OD1-CB 3.27Å; D226-R228 WeakPolarHBondContact OD1-CB 3.33Å; D226-R228 WeakPolarHBondContact OD1-CG 3.23Å; D226-R228 IonicContact OD1-CZ 3.74Å; D226-R228 PolarHBondContact OD1-N 3.25Å; D226-R228 IonicContact OD1-NE 2.67Å; D226-R228 PolarHBondContact OD1-NE 3.49Å; D226-R228 IonicContact OD1-NH2 3.8Å; D226-R228 IonicContact OD2-CZ 3.57Å; D226-R228 IonicContact OD2-NE 3Å; D226-R228 PolarHBondContact OD2-NE 2.95Å; D226-R228 IonicContact OD2-NH2 2.79Å; D226-R228 PolarHBondContact OD2-NH2 2.8Å; D226-T229 HydrophobicContact CB-CG2 4.48Å; D226-T229 PolarHBondContact O-N 2.65Å; D226-T229 PolarHBondContact O-OG1 3.17Å; D226-T229 VanDerWaalsContact O-OG1 3.04Å
227P97.5Very high96.4Very high130 Ų13048.3 Ų48.384%0.84429%0.293SS*.THydrogen-bonded Turntrans-62.8-15-176.526.7-36.8000114.1T229P227-T229 PolarHBondContact O-N 2.75Å
228R97.7Very high97.1Very high80 Ų8050.3 Ų50.330%0.30228%0.281SS..THydrogen-bonded Turntrans-75.3-11.2173.3-64.1172-72.6-177.8-1.6112.8L196 D197 D226L196-R228 VanDerWaalsContact CB-CZ 3.44Å; L196-R228 HydrophobicContact CD1-CB 4.46Å; D197-R228 IonicContact OD1-CZ 3.78Å; D197-R228 IonicContact OD1-NH1 2.77Å; D197-R228 PolarHBondContact OD1-NH1 3.14Å; D197-R228 IonicContact OD1-NH2 3.9Å; D226-R228 PolarHBondContact O-N 3.22Å; D226-R228 VanDerWaalsContact OD1-CB 3.27Å; D226-R228 WeakPolarHBondContact OD1-CB 3.33Å; D226-R228 WeakPolarHBondContact OD1-CG 3.23Å; D226-R228 IonicContact OD1-CZ 3.74Å; D226-R228 PolarHBondContact OD1-N 3.25Å; D226-R228 IonicContact OD1-NE 2.67Å; D226-R228 PolarHBondContact OD1-NE 3.49Å; D226-R228 IonicContact OD1-NH2 3.8Å; D226-R228 IonicContact OD2-CZ 3.57Å; D226-R228 IonicContact OD2-NE 3Å; D226-R228 PolarHBondContact OD2-NE 2.95Å; D226-R228 IonicContact OD2-NH2 2.79Å; D226-R228 PolarHBondContact OD2-NH2 2.8Å
229T98.4Very high97.5Very high18 Ų1852 Ų5211%0.1128%0.284CS..SBendtrans-116.6149.6-176.375.10000112.9L196 I207 F209 I223 D226 P227L196-T229 HydrophobicContact CD1-CG2 3.88Å; L196-T229 HydrophobicContact CD2-CG2 3.85Å; I207-T229 HydrophobicContact CG2-CG2 4.28Å; I207-T229 CarbonylContact O-C 3.55Å; I207-T229 VanDerWaalsContact O-CA 3.25Å; I207-T229 WeakPolarHBondContact O-CA 3.14Å; F209-T229 HydrophobicContact CB-CG2 4.28Å; I223-T229 HydrophobicContact CG1-CG2 4.23Å; I223-T229 PolarHBondContact O-OG1 3.23Å; D226-T229 HydrophobicContact CB-CG2 4.48Å; D226-T229 PolarHBondContact O-N 2.65Å; D226-T229 PolarHBondContact O-OG1 3.17Å; D226-T229 VanDerWaalsContact O-OG1 3.04Å; P227-T229 PolarHBondContact O-N 2.75Å
230V98.6Very high97.8Very high68 Ų6848.7 Ų48.741%0.41227%0.266SS..EExtended strand (participates in β ladder)trans-95.898.5160.2-175.20000106.6T206 I207 H208 F209 H232T206-V230 HydrophobicContact CG2-CG2 3.78Å; I207-V230 PolarHBondContact O-N 2.65Å; H208-V230 WeakPolarHBondContact CA-O 3.08Å; F209-V230 PolarHBondContact N-O 3.03Å; V230-H232 PolarHBondContact O-CD2 3.49Å; V230-H232 PolarHBondContact O-NE2 3.25Å; V230-H232 VanDerWaalsContact O-NE2 3.09Å
231G98.4Very high97.9Very high22 Ų2251.2 Ų51.223%0.22728%0.278CS..EExtended strand (participates in β ladder)trans-76.1135.7-17700000113.7F209F209-G231 CarbonylContact O-C 3.54Å
232H98.6Very high98Very high31 Ų3153 Ų5314%0.14428%0.283CS..EExtended strand (participates in β ladder)trans-123.6112175-56.2-83.7000108.7H208 F209 F210 G211 V230 L243H208-H232 AromaticContact CE1-NE2 3.92Å; H208-H232 AromaticContact CG-NE2 3.76Å; H208-H232 AromaticContact ND1-CD2 3.86Å; H208-H232 AromaticContact ND1-CE1 3.67Å; H208-H232 AromaticContact ND1-NE2 2.94Å; H208-H232 PolarHBondContact ND1-NE2 2.84Å; F209-H232 PolarHBondContact O-CD2 3.45Å; F209-H232 PolarHBondContact O-N 3.01Å; F210-H232 WeakPolarHBondContact CA-O 3.43Å; F210-H232 HydrophobicContact CD1-CB 3.45Å; F210-H232 VanDerWaalsContact CD1-CB 3.45Å; F210-H232 AromaticContact CD1-CG 3.89Å; F210-H232 HydrophobicContact CE1-CB 3.65Å; F210-H232 AromaticContact CE1-CD2 3.81Å; F210-H232 AromaticContact CE1-CG 3.57Å; F210-H232 HydrophobicContact CG-CB 4.1Å; F210-H232 HydrophobicContact CZ-CB 4.44Å; F210-H232 AromaticContact CZ-CD2 3.75Å; F210-H232 AromaticContact CZ-CG 3.98Å; G211-H232 PolarHBondContact N-O 3Å; G211-H232 VanDerWaalsContact N-O 3.17Å; V230-H232 PolarHBondContact O-CD2 3.49Å; V230-H232 PolarHBondContact O-NE2 3.25Å; V230-H232 VanDerWaalsContact O-NE2 3.09Å; H232-L243 HydrophobicContact CB-CD1 4.36Å
233E98.4Very high98.1Very high78 Ų7851.9 Ų51.936%0.36428%0.279SS..EExtended strand (participates in β ladder)trans-78.8132.2172179.1172.2146.500109.2T214 K215 Y224T214-E233 HydrophobicContact CG2-CB 4.17Å; T214-E233 HydrophobicContact CG2-CG 4.35Å; T214-E233 VanDerWaalsContact OG1-CG 3.26Å; T214-E233 WeakPolarHBondContact OG1-CG 3.48Å; T214-E233 PolarHBondContact OG1-OE2 3.15Å; K215-E233 WeakPolarHBondContact CE-OE1 3.49Å; K215-E233 WeakPolarHBondContact CE-OE2 3.42Å; K215-E233 IonicContact NZ-OE1 2.89Å; K215-E233 PolarHBondContact NZ-OE1 3.39Å; K215-E233 IonicContact NZ-OE2 3.74Å; K215-E233 PolarHBondContact NZ-OE2 2.92Å; Y224-E233 HydrophobicContact CE2-CB 4.17Å
234V98.2Very high98.1Very high5 Ų551.9 Ų51.93%0.0328%0.279CS..  trans-129.3156.5177.4-64.80000110.2T19 F210 G211 D212 E239 T240 L243T19-V234 HydrophobicContact CG2-CG2 4Å; F210-V234 HydrophobicContact CD1-CG1 4.37Å; G211-V234 WeakPolarHBondContact O-CG2 3.36Å; G211-V234 PolarHBondContact O-N 2.83Å; D212-V234 VanDerWaalsContact CA-O 3.27Å; D212-V234 WeakPolarHBondContact CA-O 3.37Å; V234-E239 HydrophobicContact CB-CB 4.46Å; V234-E239 HydrophobicContact CB-CG 4.36Å; V234-E239 HydrophobicContact CG1-CG 4.24Å; V234-T240 WeakPolarHBondContact CG2-OG1 3.33Å; V234-L243 HydrophobicContact CG1-CD1 3.72Å
235S96.7Very high98Very high97 Ų9752.4 Ų52.468%0.67828%0.284SS*.SBendtrans-111.8-11.1176.462.10000113.3E239S235-E239 WeakPolarHBondContact CB-OE2 3.47Å; S235-E239 PolarHBondContact N-OE2 3.02Å; S235-E239 PolarHBondContact OG-OE2 3.15Å
236S97.4Very high98Very high29 Ų2954.3 Ų54.320%0.20329%0.286CS..SBendtrans-161.1165178.486.60000113.2E238 E239 T240S236-E238 VanDerWaalsContact C-N 3.26Å; S236-E238 WeakPolarHBondContact CB-OE2 3.49Å; S236-E238 PolarHBondContact O-N 3.4Å; S236-E238 PolarHBondContact OG-N 3.03Å; S236-E238 PolarHBondContact OG-OE2 3.29Å; S236-E239 PolarHBondContact O-N 2.98Å; S236-E239 VanDerWaalsContact O-N 3.15Å; S236-E239 PolarHBondContact OG-N 3.37Å; S236-T240 PolarHBondContact O-N 2.94Å; S236-T240 VanDerWaalsContact O-N 3.11Å; S236-T240 PolarHBondContact O-OG1 3.05Å
237P98.1Very high97.9Very high15 Ų1557.2 Ų57.210%0.09730%0.301CS..Hα-helixtrans-55.5-37.7171.7-26.837000114T19 M31 E239 T240 Q241T19-P237 WeakPolarHBondContact O-CA 3.49Å; M31-P237 HydrophobicContact CE-CB 3.82Å; M31-P237 WeakPolarHBondContact CE-O 3.28Å; P237-E239 VanDerWaalsContact C-N 3.31Å; P237-E239 PolarHBondContact O-N 3.31Å; P237-T240 WeakPolarHBondContact O-CB 3.27Å; P237-T240 PolarHBondContact O-N 3.46Å; P237-Q241 PolarHBondContact O-N 3.49Å
238E97.9Very high97.9Very high124 Ų12452.4 Ų52.458%0.57927%0.267SS*.Hα-helixtrans-65.6-37.2179.3-59.371.8-153.900111.5S236 Q241 R242S236-E238 VanDerWaalsContact C-N 3.26Å; S236-E238 WeakPolarHBondContact CB-OE2 3.49Å; S236-E238 PolarHBondContact O-N 3.4Å; S236-E238 PolarHBondContact OG-N 3.03Å; S236-E238 PolarHBondContact OG-OE2 3.29Å; E238-Q241 PolarHBondContact O-N 2.94Å; E238-R242 WeakPolarHBondContact O-CB 3.4Å; E238-R242 PolarHBondContact O-N 3.19Å
239E98.1Very high97.6Very high54 Ų5450.7 Ų50.725%0.25226%0.261SS..Hα-helixtrans-67.9-42.7175-175.2165.5-147.600111.8V234 S235 S236 P237 Q241 R242 L243V234-E239 HydrophobicContact CB-CB 4.46Å; V234-E239 HydrophobicContact CB-CG 4.36Å; V234-E239 HydrophobicContact CG1-CG 4.24Å; S235-E239 WeakPolarHBondContact CB-OE2 3.47Å; S235-E239 PolarHBondContact N-OE2 3.02Å; S235-E239 PolarHBondContact OG-OE2 3.15Å; S236-E239 PolarHBondContact O-N 2.98Å; S236-E239 VanDerWaalsContact O-N 3.15Å; S236-E239 PolarHBondContact OG-N 3.37Å; P237-E239 VanDerWaalsContact C-N 3.31Å; P237-E239 PolarHBondContact O-N 3.31Å; E239-Q241 VanDerWaalsContact C-N 3.29Å; E239-Q241 PolarHBondContact O-N 3.13Å; E239-R242 PolarHBondContact O-N 2.98Å; E239-R242 IonicContact OE1-NH2 3.48Å; E239-L243 HydrophobicContact CG-CD1 4.38Å; E239-L243 HydrophobicContact CG-CG 4.46Å; E239-L243 WeakPolarHBondContact O-CG 2.97Å; E239-L243 PolarHBondContact O-N 3.37Å
240T98.6Very high96.6Very high1 Ų157 Ų571%0.00631%0.307CS..Hα-helixtrans-53.7-48172.1-55.80000111.3F14 T19 L20 F210 V234 S236 P237 L243 C244F14-T240 HydrophobicContact CD1-CG2 3.69Å; F14-T240 HydrophobicContact CE1-CG2 3.61Å; T19-T240 HydrophobicContact CG2-CG2 4.45Å; T19-T240 WeakPolarHBondContact O-CB 3.46Å; T19-T240 PolarHBondContact O-OG1 3.41Å; L20-T240 HydrophobicContact CD2-CG2 4.2Å; F210-T240 HydrophobicContact CB-CG2 4.4Å; F210-T240 HydrophobicContact CD1-CG2 4.35Å; F210-T240 HydrophobicContact CG-CG2 4.44Å; V234-T240 WeakPolarHBondContact CG2-OG1 3.33Å; S236-T240 PolarHBondContact O-N 2.94Å; S236-T240 VanDerWaalsContact O-N 3.11Å; S236-T240 PolarHBondContact O-OG1 3.05Å; P237-T240 WeakPolarHBondContact O-CB 3.27Å; P237-T240 PolarHBondContact O-N 3.46Å; T240-L243 PolarHBondContact O-N 3.32Å; T240-C244 WeakPolarHBondContact O-CB 3.2Å; T240-C244 PolarHBondContact O-N 2.63Å; T240-C244 PolarHBondContact O-SG 3.45Å; T240-C244 VanDerWaalsContact O-SG 3.35Å
241Q98.2Very high96.5Very high53 Ų5356.5 Ų56.525%0.24830%0.301CS..Hα-helixtrans-62.2-45.9178.4176.5170.3-21.900111.7M31 F34 P237 E238 E239 C244 Q245M31-Q241 HydrophobicContact CE-CB 3.93Å; F34-Q241 HydrophobicContact CD1-CB 4.15Å; F34-Q241 HydrophobicContact CD1-CG 3.88Å; F34-Q241 HydrophobicContact CD2-CG 3.83Å; F34-Q241 HydrophobicContact CE1-CB 4.18Å; F34-Q241 HydrophobicContact CE1-CG 4.03Å; F34-Q241 HydrophobicContact CE2-CG 3.99Å; F34-Q241 HydrophobicContact CG-CG 3.78Å; F34-Q241 HydrophobicContact CZ-CG 4.08Å; P237-Q241 PolarHBondContact O-N 3.49Å; E238-Q241 PolarHBondContact O-N 2.94Å; E239-Q241 VanDerWaalsContact C-N 3.29Å; E239-Q241 PolarHBondContact O-N 3.13Å; Q241-C244 PolarHBondContact O-N 3.44Å; Q241-Q245 VanDerWaalsContact NE2-NE2 3.2Å; Q241-Q245 VanDerWaalsContact O-CG 3.27Å; Q241-Q245 WeakPolarHBondContact O-CG 3.46Å; Q241-Q245 PolarHBondContact O-N 3.36Å
242R98.3Very high96.4Very high104 Ų10458.3 Ų58.339%0.39231%0.305SS..Hα-helixtrans-59-49.2178.4-176.3-172.263.576.31.3111.6E238 E239 C244 Q245 E246E238-R242 WeakPolarHBondContact O-CB 3.4Å; E238-R242 PolarHBondContact O-N 3.19Å; E239-R242 PolarHBondContact O-N 2.98Å; E239-R242 IonicContact OE1-NH2 3.48Å; R242-C244 PolarHBondContact O-N 3Å; R242-Q245 WeakPolarHBondContact O-CB 3.41Å; R242-Q245 PolarHBondContact O-N 3.15Å; R242-Q245 VanDerWaalsContact O-N 3.15Å; R242-E246 WeakPolarHBondContact CG-OE1 3.39Å; R242-E246 IonicContact CZ-OE1 3.79Å; R242-E246 IonicContact NH1-OE1 2.69Å; R242-E246 PolarHBondContact NH1-OE1 3.31Å; R242-E246 IonicContact NH1-OE2 3.6Å; R242-E246 PolarHBondContact NH1-OE2 2.91Å; R242-E246 WeakPolarHBondContact O-CG 3.41Å; R242-E246 PolarHBondContact O-N 2.65Å
243L98.2Very high96.3Very high30 Ų3059.8 Ų59.816%0.15731%0.314CS..Hα-helixtrans-61.9-43.7179.7-70.1179.2000111.8F210 H232 V234 E239 T240 Q245 E246 L247F210-L243 HydrophobicContact CE1-CB 4.13Å; H232-L243 HydrophobicContact CB-CD1 4.36Å; V234-L243 HydrophobicContact CG1-CD1 3.72Å; E239-L243 HydrophobicContact CG-CD1 4.38Å; E239-L243 HydrophobicContact CG-CG 4.46Å; E239-L243 WeakPolarHBondContact O-CG 2.97Å; E239-L243 PolarHBondContact O-N 3.37Å; T240-L243 PolarHBondContact O-N 3.32Å; L243-Q245 VanDerWaalsContact C-N 3.29Å; L243-Q245 PolarHBondContact O-N 3.11Å; L243-E246 PolarHBondContact O-N 3.29Å; L243-L247 WeakPolarHBondContact O-CB 3.41Å; L243-L247 VanDerWaalsContact O-CG 3.29Å; L243-L247 WeakPolarHBondContact O-CG 3.37Å; L243-L247 PolarHBondContact O-N 3.4Å
244C98.1Very high96.2Very high0 Ų058.8 Ų58.80%031%0.311CS..Hα-helixtrans-64.4-34.3176.1-71.70000112.5F34 L38 F210 T240 Q241 R242 L247 F248F34-C244 HydrophobicContact CE1-CB 3.67Å; F34-C244 HydrophobicContact CZ-CB 3.41Å; F34-C244 VanDerWaalsContact CZ-CB 3.41Å; L38-C244 HydrophobicContact CD1-CB 4.42Å; L38-C244 HydrophobicContact CD2-CB 4.29Å; F210-C244 VanDerWaalsContact CZ-SG 3.52Å; T240-C244 WeakPolarHBondContact O-CB 3.2Å; T240-C244 PolarHBondContact O-N 2.63Å; T240-C244 PolarHBondContact O-SG 3.45Å; T240-C244 VanDerWaalsContact O-SG 3.35Å; Q241-C244 PolarHBondContact O-N 3.44Å; R242-C244 PolarHBondContact O-N 3Å; C244-L247 PolarHBondContact O-N 3.18Å; C244-F248 HydrophobicContact CB-CD2 4.27Å; C244-F248 VanDerWaalsContact O-CD2 3.32Å; C244-F248 WeakPolarHBondContact O-CD2 3.49Å; C244-F248 PolarHBondContact O-N 2.96Å
245Q97.4Very high96.1Very high84 Ų8462.1 Ų62.139%0.39333%0.329SS..Hα-helixtrans-62.7-45.8173.2-74.9176.36.900111.9F34 Q241 R242 L243 L247 F249F34-Q245 HydrophobicContact CE2-CG 3.65Å; F34-Q245 HydrophobicContact CZ-CG 4.14Å; Q241-Q245 VanDerWaalsContact NE2-NE2 3.2Å; Q241-Q245 VanDerWaalsContact O-CG 3.27Å; Q241-Q245 WeakPolarHBondContact O-CG 3.46Å; Q241-Q245 PolarHBondContact O-N 3.36Å; R242-Q245 WeakPolarHBondContact O-CB 3.41Å; R242-Q245 PolarHBondContact O-N 3.15Å; R242-Q245 VanDerWaalsContact O-N 3.15Å; L243-Q245 VanDerWaalsContact C-N 3.29Å; L243-Q245 PolarHBondContact O-N 3.11Å; Q245-L247 VanDerWaalsContact C-N 3.32Å; Q245-L247 PolarHBondContact O-N 3.26Å; Q245-F249 WeakPolarHBondContact O-CB 3.5Å; Q245-F249 PolarHBondContact O-N 3.23Å; Q245-F249 VanDerWaalsContact O-N 3.13Å
246E96.9Very high96Very high104 Ų10459.8 Ų59.849%0.48631%0.306SS..Hα-helixtrans-63.4-37178.2-71.9168.3-169.500112.3R242 L243 S250R242-E246 WeakPolarHBondContact CG-OE1 3.39Å; R242-E246 IonicContact CZ-OE1 3.79Å; R242-E246 IonicContact NH1-OE1 2.69Å; R242-E246 PolarHBondContact NH1-OE1 3.31Å; R242-E246 IonicContact NH1-OE2 3.6Å; R242-E246 PolarHBondContact NH1-OE2 2.91Å; R242-E246 WeakPolarHBondContact O-CG 3.41Å; R242-E246 PolarHBondContact O-N 2.65Å; L243-E246 PolarHBondContact O-N 3.29Å; E246-S250 PolarHBondContact O-OG 2.69Å
247L96.4Very high95.9Very high75 Ų7562 Ų6239%0.39331%0.313SS..Hα-helixtrans-80.6-37.1-176.8-70.5169.8000114.3F210 L243 C244 Q245F210-L247 HydrophobicContact CE1-CD1 4.42Å; F210-L247 HydrophobicContact CZ-CD1 4.04Å; L243-L247 WeakPolarHBondContact O-CB 3.41Å; L243-L247 VanDerWaalsContact O-CG 3.29Å; L243-L247 WeakPolarHBondContact O-CG 3.37Å; L243-L247 PolarHBondContact O-N 3.4Å; C244-L247 PolarHBondContact O-N 3.18Å; Q245-L247 VanDerWaalsContact C-N 3.32Å; Q245-L247 PolarHBondContact O-N 3.26Å
248F96.6Very high95.8Very high28 Ų2865.6 Ų65.612%0.12333%0.33CS..Hα-helixtrans-124.6-5.9-164.2-53.7-65.7000115.3T10 C12 L38 R41 V42 H208 C244T10-F248 HydrophobicContact CG2-CE1 4.1Å; C12-F248 WeakPolarHBondContact SG-CE2 3.27Å; C12-F248 WeakPolarHBondContact SG-CZ 3.47Å; L38-F248 HydrophobicContact CD1-CB 3.98Å; L38-F248 HydrophobicContact CD1-CD2 3.6Å; L38-F248 HydrophobicContact CD1-CE2 4.41Å; L38-F248 HydrophobicContact CD1-CG 4Å; R41-F248 HydrophobicContact CB-CB 4.45Å; R41-F248 PolarHBondContact NH1-O 2.95Å; V42-F248 HydrophobicContact CG1-CD1 3.63Å; V42-F248 HydrophobicContact CG1-CE1 3.85Å; V42-F248 HydrophobicContact CG1-CG 4.28Å; H208-F248 AromaticContact CD2-CZ 3.98Å; H208-F248 AromaticContact NE2-CZ 3.99Å; C244-F248 HydrophobicContact CB-CD2 4.27Å; C244-F248 VanDerWaalsContact O-CD2 3.32Å; C244-F248 WeakPolarHBondContact O-CD2 3.49Å; C244-F248 PolarHBondContact O-N 2.96Å
249F92.9Very high95.6Very high44 Ų4460.8 Ų60.819%0.19331%0.309CS..  trans-125.92.8-176.4-66.3-83.2000114.6F34 K37 L38 R41 Q245F34-F249 HydrophobicContact CE2-CD2 4.4Å; F34-F249 AromaticContact CE2-CE2 3.87Å; F34-F249 HydrophobicContact CE2-CE2 3.87Å; F34-F249 HydrophobicContact CZ-CE2 4.16Å; K37-F249 HydrophobicContact CB-CZ 4.42Å; K37-F249 HydrophobicContact CD-CE1 3.99Å; K37-F249 HydrophobicContact CD-CZ 4.18Å; K37-F249 HydrophobicContact CG-CE1 3.75Å; K37-F249 HydrophobicContact CG-CZ 3.83Å; L38-F249 HydrophobicContact CB-CE2 4.34Å; L38-F249 HydrophobicContact CB-CZ 4.4Å; L38-F249 HydrophobicContact CD1-CE2 3.79Å; L38-F249 HydrophobicContact CD1-CZ 4.39Å; R41-F249 HydrophobicContact CG-CD1 4.05Å; R41-F249 HydrophobicContact CG-CE1 3.47Å; R41-F249 VanDerWaalsContact CG-CE1 3.47Å; R41-F249 HydrophobicContact CG-CE2 4.46Å; R41-F249 HydrophobicContact CG-CZ 3.75Å; Q245-F249 WeakPolarHBondContact O-CB 3.5Å; Q245-F249 PolarHBondContact O-N 3.23Å; Q245-F249 VanDerWaalsContact O-N 3.13Å
250S77.2Confident95.3Very high152 Ų15261.4 Ų61.4100%1.06331%0.314SS*.  trans-77.70169.143.20000112.6E246E246-S250 PolarHBondContact O-OG 2.69Å

Retrieved 250 of 250 residues in 276.9 ms (Link to these results)

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