A0A3Q0KSJ5_SCHMA Loading...

Putative aspartyl-tRNA synthetase AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KSJ5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 586 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
1M40.1Very low64.3Low173 Ų17398.4 Ų98.485%0.85251%0.514SS*.  0-55.80-77.6-77.9172.300112P3 T4 Y5M1-P3 VanDerWaalsContact C-CD 3.48Å; M1-T4 PolarHBondContact O-N 3.35Å; M1-Y5 HydrophobicContact CB-CE2 4.3Å; M1-Y5 VanDerWaalsContact O-CD2 3.24Å; M1-Y5 WeakPolarHBondContact O-CD2 3.46Å; M1-Y5 PolarHBondContact O-N 3.36Å; M1-Y5 HydrophobicContact SD-CE2 4.01Å
2L44.8Very low65.6Low155 Ų15599.9 Ų99.981%0.81252%0.522SS*.Hα-helixtrans-51.3-42.6179.7-100.390.9000116.7T4 Y5 F6L2-T4 VanDerWaalsContact C-N 3.28Å; L2-T4 PolarHBondContact O-N 3.44Å; L2-Y5 PolarHBondContact O-N 3.1Å; L2-F6 PolarHBondContact O-N 3.1Å
3P54.4Low66.6Low88 Ų8899.3 Ų99.357%0.57152%0.519SS*.Hα-helixtrans-64.4-32.6-177.6-22.933.2000113.4M1 T7M1-P3 VanDerWaalsContact C-CD 3.48Å; P3-T7 PolarHBondContact O-N 2.94Å; P3-T7 PolarHBondContact O-OG1 3.19Å
4T63.7Low67.3Low85 Ų8595.4 Ų95.452%0.52150%0.497SS..Hα-helixtrans-71.5-46.4-178.6-36.80000110.6M1 L2 F6 T7 I8M1-T4 PolarHBondContact O-N 3.35Å; L2-T4 VanDerWaalsContact C-N 3.28Å; L2-T4 PolarHBondContact O-N 3.44Å; T4-F6 VanDerWaalsContact C-N 3.34Å; T4-F6 PolarHBondContact O-N 3.49Å; T4-T7 PolarHBondContact O-N 3.48Å; T4-I8 HydrophobicContact CG2-CD1 4.18Å; T4-I8 WeakPolarHBondContact O-CG1 3.32Å; T4-I8 PolarHBondContact O-N 2.88Å
5Y64.7Low67.9Low158 Ų15898.8 Ų98.862%0.6250%0.502SS*.Hα-helixtrans-61.7-39.7177.2-72.1-70.4000112.5M1 L2 T7 I8 G9M1-Y5 HydrophobicContact CB-CE2 4.3Å; M1-Y5 VanDerWaalsContact O-CD2 3.24Å; M1-Y5 WeakPolarHBondContact O-CD2 3.46Å; M1-Y5 PolarHBondContact O-N 3.36Å; M1-Y5 HydrophobicContact SD-CE2 4.01Å; L2-Y5 PolarHBondContact O-N 3.1Å; Y5-T7 VanDerWaalsContact C-N 3.35Å; Y5-T7 PolarHBondContact O-N 2.81Å; Y5-I8 PolarHBondContact O-N 2.89Å; Y5-G9 PolarHBondContact O-N 2.89Å
6F70.1Confident68.6Low116 Ų116100.4 Ų100.451%0.50951%0.505SS..Hα-helixtrans-64.5-39.6176.5-170.2-89.3000112.3L2 T4 G9 L10L2-F6 PolarHBondContact O-N 3.1Å; T4-F6 VanDerWaalsContact C-N 3.34Å; T4-F6 PolarHBondContact O-N 3.49Å; F6-G9 PolarHBondContact O-N 3.1Å; F6-L10 HydrophobicContact CD1-CD1 3.5Å; F6-L10 VanDerWaalsContact CD1-CD1 3.5Å; F6-L10 HydrophobicContact CE1-CD1 3.05Å; F6-L10 HydrophobicContact CE2-CD1 4.47Å; F6-L10 HydrophobicContact CG-CD1 4.4Å; F6-L10 HydrophobicContact CZ-CD1 3.63Å; F6-L10 PolarHBondContact O-N 3.33Å
7T67.3Low69.2Low51 Ų5197.6 Ų97.631%0.31349%0.491SS..Hα-helixtrans-69.1-42.2179.3-51.60000111.4P3 T4 Y5 G9 L10 Q11P3-T7 PolarHBondContact O-N 2.94Å; P3-T7 PolarHBondContact O-OG1 3.19Å; T4-T7 PolarHBondContact O-N 3.48Å; Y5-T7 VanDerWaalsContact C-N 3.35Å; Y5-T7 PolarHBondContact O-N 2.81Å; T7-G9 VanDerWaalsContact C-N 3.29Å; T7-G9 PolarHBondContact O-N 3.02Å; T7-L10 PolarHBondContact O-N 2.82Å; T7-Q11 WeakPolarHBondContact O-CG 3.26Å; T7-Q11 PolarHBondContact O-N 2.93Å
8I73.1Confident69.6Low79 Ų7996.2 Ų96.241%0.40548%0.484SS..Hα-helixtrans-60.7-42172-66.2166000110T4 Y5 L10 Q11 L12T4-I8 HydrophobicContact CG2-CD1 4.18Å; T4-I8 WeakPolarHBondContact O-CG1 3.32Å; T4-I8 PolarHBondContact O-N 2.88Å; Y5-I8 PolarHBondContact O-N 2.89Å; I8-L10 PolarHBondContact O-N 2.7Å; I8-Q11 PolarHBondContact O-N 2.72Å; I8-L12 HydrophobicContact CG2-CD1 3.9Å; I8-L12 HydrophobicContact CG2-CG 4.28Å; I8-L12 WeakPolarHBondContact O-CB 3.5Å; I8-L12 WeakPolarHBondContact O-CG 3.44Å; I8-L12 PolarHBondContact O-N 2.95Å
9G77.4Confident70.1Confident37 Ų3796.2 Ų96.238%0.38149%0.485SS..Hα-helixtrans-58-46.1175.500000113.3Y5 F6 T7 L12 L13Y5-G9 PolarHBondContact O-N 2.89Å; F6-G9 PolarHBondContact O-N 3.1Å; T7-G9 VanDerWaalsContact C-N 3.29Å; T7-G9 PolarHBondContact O-N 3.02Å; G9-L12 PolarHBondContact O-N 3.05Å; G9-L13 WeakPolarHBondContact O-CB 3.3Å; G9-L13 PolarHBondContact O-N 2.83Å
10L75.7Confident70.4Confident31 Ų3194.1 Ų94.116%0.16247%0.474CS..Hα-helixtrans-64.8-39.8174.5-99.8102.8000112.7F6 T7 I8 L13 H14 F38 I41F6-L10 HydrophobicContact CD1-CD1 3.5Å; F6-L10 VanDerWaalsContact CD1-CD1 3.5Å; F6-L10 HydrophobicContact CE1-CD1 3.05Å; F6-L10 HydrophobicContact CE2-CD1 4.47Å; F6-L10 HydrophobicContact CG-CD1 4.4Å; F6-L10 HydrophobicContact CZ-CD1 3.63Å; F6-L10 PolarHBondContact O-N 3.33Å; T7-L10 PolarHBondContact O-N 2.82Å; I8-L10 PolarHBondContact O-N 2.7Å; L10-L13 PolarHBondContact O-N 2.98Å; L10-H14 WeakPolarHBondContact O-CB 3.41Å; L10-H14 PolarHBondContact O-N 3.29Å; L10-F38 HydrophobicContact CB-CE1 4.2Å; L10-F38 HydrophobicContact CD2-CD1 4.16Å; L10-F38 HydrophobicContact CD2-CE1 3.77Å; L10-F38 HydrophobicContact CG-CE1 4.18Å; L10-F38 VanDerWaalsContact O-CE1 3.28Å; L10-F38 WeakPolarHBondContact O-CE1 3.42Å; L10-I41 HydrophobicContact CD2-CD1 4.45Å; L10-I41 HydrophobicContact CD2-CG2 3.77Å
11Q75.8Confident70.6Confident109 Ų10991 Ų9151%0.50946%0.459SS..Hα-helixtrans-64.6-41.8177.8-73.7178.4-9.500111.5T7 I8 H14 Y15T7-Q11 WeakPolarHBondContact O-CG 3.26Å; T7-Q11 PolarHBondContact O-N 2.93Å; I8-Q11 PolarHBondContact O-N 2.72Å; Q11-H14 PolarHBondContact O-N 3.31Å; Q11-Y15 PolarHBondContact O-N 3.24Å
12L79.6Confident72.2Confident117 Ų11792.9 Ų92.961%0.61346%0.456SS*.Hα-helixtrans-64.6-42.7174.5-71.3172.8000111.7I8 G9 H14 Y15 F16I8-L12 HydrophobicContact CG2-CD1 3.9Å; I8-L12 HydrophobicContact CG2-CG 4.28Å; I8-L12 WeakPolarHBondContact O-CB 3.5Å; I8-L12 WeakPolarHBondContact O-CG 3.44Å; I8-L12 PolarHBondContact O-N 2.95Å; G9-L12 PolarHBondContact O-N 3.05Å; L12-H14 VanDerWaalsContact C-N 3.35Å; L12-H14 PolarHBondContact O-N 3.48Å; L12-Y15 PolarHBondContact O-N 3.11Å; L12-F16 WeakPolarHBondContact O-CB 3.44Å; L12-F16 PolarHBondContact O-N 3.1Å
13L79.4Confident73.8Confident92 Ų9293.5 Ų93.548%0.48245%0.452SS..Hα-helixtrans-61.5-43.1175.3-177.664.8000111.6G9 L10 F16 L17 F38G9-L13 WeakPolarHBondContact O-CB 3.3Å; G9-L13 PolarHBondContact O-N 2.83Å; L10-L13 PolarHBondContact O-N 2.98Å; L13-F16 PolarHBondContact O-N 3.42Å; L13-L17 HydrophobicContact CG-CD1 4.35Å; L13-L17 WeakPolarHBondContact O-CG 3.43Å; L13-L17 PolarHBondContact O-N 3.12Å; L13-F38 HydrophobicContact CD2-CZ 4.33Å; L13-F38 HydrophobicContact CG-CZ 4.38Å
14H76.8Confident75.2Confident45 Ų4595.7 Ų95.721%0.20845%0.453CS..Hα-helixtrans-59.1-47.7175-173.963.4000111.4L10 Q11 L12 F16 L17 M18 F38L10-H14 WeakPolarHBondContact O-CB 3.41Å; L10-H14 PolarHBondContact O-N 3.29Å; Q11-H14 PolarHBondContact O-N 3.31Å; L12-H14 VanDerWaalsContact C-N 3.35Å; L12-H14 PolarHBondContact O-N 3.48Å; H14-F16 VanDerWaalsContact C-N 3.33Å; H14-F16 PolarHBondContact O-N 2.66Å; H14-L17 PolarHBondContact O-N 2.85Å; H14-M18 WeakPolarHBondContact O-CG 3.4Å; H14-M18 PolarHBondContact O-N 3Å; H14-F38 HydrophobicContact CB-CD1 3.76Å; H14-F38 HydrophobicContact CB-CD2 4.3Å; H14-F38 HydrophobicContact CB-CE1 3.69Å; H14-F38 HydrophobicContact CB-CE2 4.25Å; H14-F38 HydrophobicContact CB-CG 4.06Å; H14-F38 HydrophobicContact CB-CZ 3.95Å; H14-F38 AromaticContact CG-CG 3.84Å; H14-F38 AromaticContact ND1-CD1 3.91Å; H14-F38 AromaticContact ND1-CD2 3.19Å; H14-F38 WeakPolarHBondContact ND1-CD2 3.2Å; H14-F38 AromaticContact ND1-CE2 3.74Å; H14-F38 AromaticContact ND1-CG 3.27Å; H14-F38 VanDerWaalsContact ND1-CG 3.27Å; H14-F38 WeakPolarHBondContact ND1-CG 3.41Å
15Y75.7Confident75.9Confident146 Ų14698.8 Ų98.857%0.57347%0.466SS*.Hα-helixtrans-64.3-38.4179.4-159.7-94.9000112.1Q11 L12 M18 L19Q11-Y15 PolarHBondContact O-N 3.24Å; L12-Y15 PolarHBondContact O-N 3.11Å; Y15-M18 WeakPolarHBondContact O-CB 3.43Å; Y15-M18 PolarHBondContact O-N 2.92Å; Y15-L19 HydrophobicContact CD1-CD1 3.91Å; Y15-L19 HydrophobicContact CD1-CG 4.27Å; Y15-L19 HydrophobicContact CE1-CD1 3.93Å; Y15-L19 HydrophobicContact CE1-CD2 4.48Å; Y15-L19 HydrophobicContact CE1-CG 4.2Å; Y15-L19 WeakPolarHBondContact O-CG 3.38Å; Y15-L19 PolarHBondContact O-N 3.06Å
16F79.2Confident76.4Confident124 Ų12494.4 Ų94.454%0.54445%0.453SS..Hα-helixtrans-63.9-45.1175.1-174.7-106.9000112.1L12 L13 H14 M18 L19 I20L12-F16 WeakPolarHBondContact O-CB 3.44Å; L12-F16 PolarHBondContact O-N 3.1Å; L13-F16 PolarHBondContact O-N 3.42Å; H14-F16 VanDerWaalsContact C-N 3.33Å; H14-F16 PolarHBondContact O-N 2.66Å; F16-M18 VanDerWaalsContact C-N 3.28Å; F16-M18 PolarHBondContact O-N 3.09Å; F16-L19 PolarHBondContact O-N 2.98Å; F16-L19 VanDerWaalsContact O-N 3.16Å; F16-I20 HydrophobicContact CD1-CD1 3.78Å; F16-I20 HydrophobicContact CE1-CD1 3.36Å; F16-I20 HydrophobicContact CE1-CG1 4.26Å; F16-I20 HydrophobicContact CZ-CD1 3.88Å; F16-I20 HydrophobicContact CZ-CG1 4.43Å; F16-I20 WeakPolarHBondContact O-CG1 3.37Å; F16-I20 PolarHBondContact O-N 3.16Å
17L78.1Confident76.6Confident53 Ų5392.7 Ų92.728%0.27745%0.454SS..Hα-helixtrans-62.1-35.7174.3-70.7171.7000111.9L13 H14 I20 H21 F38L13-L17 HydrophobicContact CG-CD1 4.35Å; L13-L17 WeakPolarHBondContact O-CG 3.43Å; L13-L17 PolarHBondContact O-N 3.12Å; H14-L17 PolarHBondContact O-N 2.85Å; L17-I20 PolarHBondContact O-N 3.41Å; L17-H21 WeakPolarHBondContact O-CB 3.11Å; L17-H21 PolarHBondContact O-N 3.22Å; L17-F38 HydrophobicContact CD1-CE2 4.02Å; L17-F38 HydrophobicContact CD1-CZ 4.42Å
18M76.5Confident76.9Confident73 Ų7395 Ų9536%0.3647%0.468SS..Hα-helixtrans-63.6-41.8172.9-73.4-177.960.500112.6H14 Y15 F16 H21 R22H14-M18 WeakPolarHBondContact O-CG 3.4Å; H14-M18 PolarHBondContact O-N 3Å; Y15-M18 WeakPolarHBondContact O-CB 3.43Å; Y15-M18 PolarHBondContact O-N 2.92Å; F16-M18 VanDerWaalsContact C-N 3.28Å; F16-M18 PolarHBondContact O-N 3.09Å; M18-H21 PolarHBondContact O-N 3.45Å; M18-R22 PolarHBondContact O-N 3.22Å
19L79.1Confident76.8Confident95 Ų9594.9 Ų94.950%0.49747%0.474SS..Hα-helixtrans-64.7-40.7176.5-72.9170.1000111.9Y15 F16 K23Y15-L19 HydrophobicContact CD1-CD1 3.91Å; Y15-L19 HydrophobicContact CD1-CG 4.27Å; Y15-L19 HydrophobicContact CE1-CD1 3.93Å; Y15-L19 HydrophobicContact CE1-CD2 4.48Å; Y15-L19 HydrophobicContact CE1-CG 4.2Å; Y15-L19 WeakPolarHBondContact O-CG 3.38Å; Y15-L19 PolarHBondContact O-N 3.06Å; F16-L19 PolarHBondContact O-N 2.98Å; F16-L19 VanDerWaalsContact O-N 3.16Å; L19-K23 VanDerWaalsContact O-CB 3.32Å; L19-K23 WeakPolarHBondContact O-CB 3.46Å; L19-K23 PolarHBondContact O-N 3Å
20I77.5Confident76.2Confident54 Ų5496.3 Ų96.328%0.27747%0.473SS..Hα-helixtrans-61.7-50.3173.7-70176.3000110.2F16 L17 R22 K23 F24 L26F16-I20 HydrophobicContact CD1-CD1 3.78Å; F16-I20 HydrophobicContact CE1-CD1 3.36Å; F16-I20 HydrophobicContact CE1-CG1 4.26Å; F16-I20 HydrophobicContact CZ-CD1 3.88Å; F16-I20 HydrophobicContact CZ-CG1 4.43Å; F16-I20 WeakPolarHBondContact O-CG1 3.37Å; F16-I20 PolarHBondContact O-N 3.16Å; L17-I20 PolarHBondContact O-N 3.41Å; I20-R22 VanDerWaalsContact C-N 3.29Å; I20-R22 PolarHBondContact O-N 3.45Å; I20-K23 PolarHBondContact O-N 2.7Å; I20-K23 VanDerWaalsContact O-N 3.11Å; I20-F24 HydrophobicContact CB-CD2 4.45Å; I20-F24 HydrophobicContact CG2-CD2 3.71Å; I20-F24 HydrophobicContact CG2-CE2 4.16Å; I20-F24 VanDerWaalsContact O-CD2 3.28Å; I20-F24 WeakPolarHBondContact O-CD2 3.41Å; I20-F24 PolarHBondContact O-N 2.85Å; I20-L26 HydrophobicContact CG2-CD1 4.36Å
21H73.9Confident75.7Confident31 Ų3198 Ų9814%0.14448%0.477CS..Hα-helixtrans-57.2-43.1-178.2-167.9-80.7000112L17 M18 N25 L26 P27L17-H21 WeakPolarHBondContact O-CB 3.11Å; L17-H21 PolarHBondContact O-N 3.22Å; M18-H21 PolarHBondContact O-N 3.45Å; H21-N25 PolarHBondContact O-N 3.34Å; H21-N25 VanDerWaalsContact O-N 3.14Å; H21-L26 WeakPolarHBondContact CD2-CB 3.33Å; H21-L26 PolarHBondContact CE1-O 3.1Å; H21-L26 WeakPolarHBondContact NE2-CB 3.42Å; H21-L26 PolarHBondContact NE2-O 3.1Å; H21-L26 PolarHBondContact O-N 2.93Å; H21-P27 PolarHBondContact NE2-O 2.81Å
22R73.2Confident75.5Confident212 Ų21296.4 Ų96.480%0.847%0.473SS*.Hα-helixtrans-68.7-37.4175.8-168.2177.8-179.1178.70.6113.3M18 I20M18-R22 PolarHBondContact O-N 3.22Å; I20-R22 VanDerWaalsContact C-N 3.29Å; I20-R22 PolarHBondContact O-N 3.45Å
23K79.4Confident75Confident168 Ų16896 Ų9673%0.7347%0.471SS*.Hα-helixtrans-71.3-34.6179.7-175.3173.6-179.7177.70112.5L19 I20L19-K23 VanDerWaalsContact O-CB 3.32Å; L19-K23 WeakPolarHBondContact O-CB 3.46Å; L19-K23 PolarHBondContact O-N 3Å; I20-K23 PolarHBondContact O-N 2.7Å; I20-K23 VanDerWaalsContact O-N 3.11Å
24F82.6Confident74.4Confident133 Ų13396.5 Ų96.558%0.58347%0.467SS*.Hα-helixtrans-106.48.6-172.9-66.4-75.9000114.5I20 L26I20-F24 HydrophobicContact CB-CD2 4.45Å; I20-F24 HydrophobicContact CG2-CD2 3.71Å; I20-F24 HydrophobicContact CG2-CE2 4.16Å; I20-F24 VanDerWaalsContact O-CD2 3.28Å; I20-F24 WeakPolarHBondContact O-CD2 3.41Å; I20-F24 PolarHBondContact O-N 2.85Å; F24-L26 HydrophobicContact CB-CG 4.2Å; F24-L26 PolarHBondContact O-N 2.81Å; F24-L26 VanDerWaalsContact O-N 3.15Å
25N79.2Confident73.9Confident151 Ų151100.7 Ų100.781%0.80748%0.481SS*.THydrogen-bonded Turntrans46.944-179.9-85.4-16.5000113.3H21H21-N25 PolarHBondContact O-N 3.34Å; H21-N25 VanDerWaalsContact O-N 3.14Å
26L75.8Confident73.4Confident66 Ų6698.8 Ų98.835%0.34648%0.48SS..  trans-66.9156-178.1-73.8173.1000111.4I20 H21 F24I20-L26 HydrophobicContact CG2-CD1 4.36Å; H21-L26 WeakPolarHBondContact CD2-CB 3.33Å; H21-L26 PolarHBondContact CE1-O 3.1Å; H21-L26 WeakPolarHBondContact NE2-CB 3.42Å; H21-L26 PolarHBondContact NE2-O 3.1Å; H21-L26 PolarHBondContact O-N 2.93Å; F24-L26 HydrophobicContact CB-CG 4.2Å; F24-L26 PolarHBondContact O-N 2.81Å; F24-L26 VanDerWaalsContact O-N 3.15Å
27P74Confident72.7Confident80 Ų80100 Ų10052%0.51948%0.482SS..  trans-57.2139.9-178.9-25.333.9000113.3H21 S29 L30H21-P27 PolarHBondContact NE2-O 2.81Å; P27-S29 PolarHBondContact O-N 2.78Å; P27-L30 WeakPolarHBondContact O-CB 3.26Å; P27-L30 PolarHBondContact O-N 2.84Å
28T73.2Confident71.8Confident100 Ų10098.3 Ų98.361%0.61347%0.473SS*.Hα-helixtrans-64.4-24.9-177.8-29.60000112.9Y31 N32T28-Y31 WeakPolarHBondContact O-CB 3.31Å; T28-Y31 PolarHBondContact O-N 3.43Å; T28-N32 PolarHBondContact O-N 3.09Å
29S70.6Confident71.2Confident76 Ų76101.7 Ų101.753%0.53149%0.485SS..Hα-helixtrans-62.2-41.917555.80000112.1P27 Y31 N32 N33P27-S29 PolarHBondContact O-N 2.78Å; S29-Y31 VanDerWaalsContact C-N 3.34Å; S29-N32 PolarHBondContact O-N 3.32Å; S29-N33 PolarHBondContact O-N 2.76Å; S29-N33 VanDerWaalsContact O-N 3.15Å
30L64.4Low70.1Confident67 Ų67101.1 Ų101.135%0.35148%0.483SS..Hα-helixtrans-65-40.9177.9-148.679.5000110.7P27 N33 Y34P27-L30 WeakPolarHBondContact O-CB 3.26Å; P27-L30 PolarHBondContact O-N 2.84Å; L30-N33 PolarHBondContact O-N 3.17Å; L30-Y34 HydrophobicContact CD2-CE2 3.74Å; L30-Y34 HydrophobicContact CG-CD2 4.3Å; L30-Y34 HydrophobicContact CG-CE2 3.64Å; L30-Y34 WeakPolarHBondContact O-CD2 3.48Å; L30-Y34 PolarHBondContact O-N 3.47Å; L30-Y34 VanDerWaalsContact O-N 3.1Å
31Y66.1Low69Low65 Ų65100.9 Ų100.926%0.25548%0.481SS..Hα-helixtrans-60-46.7174.7171-96.2000112.5T28 S29 N33 Y34 R35T28-Y31 WeakPolarHBondContact O-CB 3.31Å; T28-Y31 PolarHBondContact O-N 3.43Å; S29-Y31 VanDerWaalsContact C-N 3.34Å; Y31-N33 VanDerWaalsContact C-N 3.3Å; Y31-N33 PolarHBondContact O-N 3.17Å; Y31-Y34 PolarHBondContact O-N 3.46Å; Y31-R35 WeakPolarHBondContact O-CB 3.43Å; Y31-R35 PolarHBondContact O-N 2.92Å
32N70.4Confident68Low77 Ų77102.3 Ų102.341%0.41249%0.492SS..Hα-helixtrans-61.8-40179.4-74.7-22.9000111.5T28 S29 R35 L36T28-N32 PolarHBondContact O-N 3.09Å; S29-N32 PolarHBondContact O-N 3.32Å; N32-R35 PolarHBondContact O-N 3.24Å; N32-L36 WeakPolarHBondContact O-CB 3.3Å; N32-L36 WeakPolarHBondContact O-CD1 3.17Å; N32-L36 PolarHBondContact O-N 2.89Å
33N70.5Confident67Low108 Ų10895 Ų9558%0.57847%0.473SS*.Hα-helixtrans-62.8-48.1176.6-72.2-18.4000112.1S29 L30 Y31 R35 L36 Y37S29-N33 PolarHBondContact O-N 2.76Å; S29-N33 VanDerWaalsContact O-N 3.15Å; L30-N33 PolarHBondContact O-N 3.17Å; Y31-N33 VanDerWaalsContact C-N 3.3Å; Y31-N33 PolarHBondContact O-N 3.17Å; N33-R35 PolarHBondContact O-N 2.87Å; N33-L36 PolarHBondContact O-N 2.62Å; N33-Y37 VanDerWaalsContact O-CB 3.27Å; N33-Y37 WeakPolarHBondContact O-CB 3.5Å; N33-Y37 PolarHBondContact O-N 2.94Å
34Y65.3Low65.3Low102 Ų10290.6 Ų90.640%0.446%0.458SS..Hα-helixtrans-63.8-42.6177.1-69.7-57000112.1L30 Y31 Y37 F38L30-Y34 HydrophobicContact CD2-CE2 3.74Å; L30-Y34 HydrophobicContact CG-CD2 4.3Å; L30-Y34 HydrophobicContact CG-CE2 3.64Å; L30-Y34 WeakPolarHBondContact O-CD2 3.48Å; L30-Y34 PolarHBondContact O-N 3.47Å; L30-Y34 VanDerWaalsContact O-N 3.1Å; Y31-Y34 PolarHBondContact O-N 3.46Å; Y34-Y37 PolarHBondContact O-N 3.21Å; Y34-F38 WeakPolarHBondContact O-CB 3.38Å; Y34-F38 WeakPolarHBondContact O-CD2 3.48Å; Y34-F38 PolarHBondContact O-N 2.84Å
35R67.1Low63.3Low133 Ų13390.5 Ų90.550%0.50245%0.454SS..Hα-helixtrans-63.1-44.2178.9-175.6179.5172.9-176.9-3.1111.9Y31 N32 N33 K39Y31-R35 WeakPolarHBondContact O-CB 3.43Å; Y31-R35 PolarHBondContact O-N 2.92Å; N32-R35 PolarHBondContact O-N 3.24Å; N33-R35 PolarHBondContact O-N 2.87Å; R35-K39 WeakPolarHBondContact O-CB 3.48Å; R35-K39 PolarHBondContact O-N 3.19Å
36L66Low61.3Low106 Ų10692.1 Ų92.156%0.55546%0.456SS*.Hα-helixtrans-62.5-45.5174.9-89.1150.8000111.4N32 N33 K39 N40N32-L36 WeakPolarHBondContact O-CB 3.3Å; N32-L36 WeakPolarHBondContact O-CD1 3.17Å; N32-L36 PolarHBondContact O-N 2.89Å; N33-L36 PolarHBondContact O-N 2.62Å; L36-K39 PolarHBondContact O-N 3.18Å; L36-N40 WeakPolarHBondContact O-CB 3.1Å; L36-N40 VanDerWaalsContact O-CG 3.31Å; L36-N40 PolarHBondContact O-N 3.25Å
37Y63.1Low59.3Low151 Ų15196.7 Ų96.759%0.59247%0.473SS*.Hα-helixtrans-60.8-49.4178.5-173.3-102.5000112.2N33 Y34 N40 I41N33-Y37 VanDerWaalsContact O-CB 3.27Å; N33-Y37 WeakPolarHBondContact O-CB 3.5Å; N33-Y37 PolarHBondContact O-N 2.94Å; Y34-Y37 PolarHBondContact O-N 3.21Å; Y37-N40 PolarHBondContact O-N 3.1Å; Y37-I41 HydrophobicContact CD1-CD1 3.72Å; Y37-I41 HydrophobicContact CE1-CD1 3.22Å; Y37-I41 HydrophobicContact CE1-CG1 4.44Å; Y37-I41 HydrophobicContact CE2-CD1 4.23Å; Y37-I41 HydrophobicContact CG-CD1 4.41Å; Y37-I41 WeakPolarHBondContact O-CG1 3.28Å; Y37-I41 PolarHBondContact O-N 3.3Å
38F60.9Low57.1Low17 Ų17101.5 Ų101.58%0.07549%0.489CS..Hα-helixtrans-68.2-40.2178.4-89.7-82.7000112.8L10 L13 H14 L17 Y34 N40 I41 V42L10-F38 HydrophobicContact CB-CE1 4.2Å; L10-F38 HydrophobicContact CD2-CD1 4.16Å; L10-F38 HydrophobicContact CD2-CE1 3.77Å; L10-F38 HydrophobicContact CG-CE1 4.18Å; L10-F38 VanDerWaalsContact O-CE1 3.28Å; L10-F38 WeakPolarHBondContact O-CE1 3.42Å; L13-F38 HydrophobicContact CD2-CZ 4.33Å; L13-F38 HydrophobicContact CG-CZ 4.38Å; H14-F38 HydrophobicContact CB-CD1 3.76Å; H14-F38 HydrophobicContact CB-CD2 4.3Å; H14-F38 HydrophobicContact CB-CE1 3.69Å; H14-F38 HydrophobicContact CB-CE2 4.25Å; H14-F38 HydrophobicContact CB-CG 4.06Å; H14-F38 HydrophobicContact CB-CZ 3.95Å; H14-F38 AromaticContact CG-CG 3.84Å; H14-F38 AromaticContact ND1-CD1 3.91Å; H14-F38 AromaticContact ND1-CD2 3.19Å; H14-F38 WeakPolarHBondContact ND1-CD2 3.2Å; H14-F38 AromaticContact ND1-CE2 3.74Å; H14-F38 AromaticContact ND1-CG 3.27Å; H14-F38 VanDerWaalsContact ND1-CG 3.27Å; H14-F38 WeakPolarHBondContact ND1-CG 3.41Å; L17-F38 HydrophobicContact CD1-CE2 4.02Å; L17-F38 HydrophobicContact CD1-CZ 4.42Å; Y34-F38 WeakPolarHBondContact O-CB 3.38Å; Y34-F38 WeakPolarHBondContact O-CD2 3.48Å; Y34-F38 PolarHBondContact O-N 2.84Å; F38-N40 VanDerWaalsContact C-N 3.27Å; F38-N40 PolarHBondContact O-N 3.44Å; F38-I41 PolarHBondContact O-N 3.05Å; F38-V42 WeakPolarHBondContact O-CB 3.22Å; F38-V42 WeakPolarHBondContact O-CG2 3.26Å; F38-V42 PolarHBondContact O-N 3.22Å
39K62Low55Low144 Ų144103.4 Ų103.463%0.62650%0.495SS*.Hα-helixtrans-58.8-44175.1-168.1178.8-178.1-174.30110.1R35 L36 S43R35-K39 WeakPolarHBondContact O-CB 3.48Å; R35-K39 PolarHBondContact O-N 3.19Å; L36-K39 PolarHBondContact O-N 3.18Å; K39-S43 WeakPolarHBondContact O-CB 3.48Å; K39-S43 PolarHBondContact O-N 2.95Å; K39-S43 PolarHBondContact O-OG 3.39Å
40N56.5Low52.9Low83 Ų83109 Ų10944%0.44451%0.511SS..Hα-helixtrans-63.4-45.3176.6-77.3-14.6000112.2L36 Y37 F38 S43 N44L36-N40 WeakPolarHBondContact O-CB 3.1Å; L36-N40 VanDerWaalsContact O-CG 3.31Å; L36-N40 PolarHBondContact O-N 3.25Å; Y37-N40 PolarHBondContact O-N 3.1Å; F38-N40 VanDerWaalsContact C-N 3.27Å; F38-N40 PolarHBondContact O-N 3.44Å; N40-S43 PolarHBondContact O-OG 3.23Å; N40-N44 WeakPolarHBondContact O-CB 3.34Å; N40-N44 PolarHBondContact O-N 2.81Å; N40-N44 PolarHBondContact O-ND2 2.91Å; N40-N44 VanDerWaalsContact O-ND2 3.1Å
41I55.8Low51.3Low48 Ų48110.8 Ų110.825%0.24653%0.526CS..Hα-helixtrans-65.1-44.8179.7-68.4172.4000111.9L10 Y37 F38 R45L10-I41 HydrophobicContact CD2-CD1 4.45Å; L10-I41 HydrophobicContact CD2-CG2 3.77Å; Y37-I41 HydrophobicContact CD1-CD1 3.72Å; Y37-I41 HydrophobicContact CE1-CD1 3.22Å; Y37-I41 HydrophobicContact CE1-CG1 4.44Å; Y37-I41 HydrophobicContact CE2-CD1 4.23Å; Y37-I41 HydrophobicContact CG-CD1 4.41Å; Y37-I41 WeakPolarHBondContact O-CG1 3.28Å; Y37-I41 PolarHBondContact O-N 3.3Å; F38-I41 PolarHBondContact O-N 3.05Å; I41-R45 PolarHBondContact O-N 2.65Å
42V53Low49.3Very low61 Ų61113.9 Ų113.937%0.3755%0.547SS..Hα-helixtrans-73.3-41.2-176.8177.80000111F38F38-V42 WeakPolarHBondContact O-CB 3.22Å; F38-V42 WeakPolarHBondContact O-CG2 3.26Å; F38-V42 PolarHBondContact O-N 3.22Å
43S51.3Low47Very low58 Ų58117.8 Ų117.841%0.40657%0.566SS.*Hα-helixtrans-70.8-32.2177.670.60000113K39 N40K39-S43 WeakPolarHBondContact O-CB 3.48Å; K39-S43 PolarHBondContact O-N 2.95Å; K39-S43 PolarHBondContact O-OG 3.39Å; N40-S43 PolarHBondContact O-OG 3.23Å
44N42.5Very low44.7Very low76 Ų76120.9 Ų120.941%0.40658%0.577SS.*Hα-helixtrans-87.7-5.1-173.4-62.5-14000113.5N40 K47N40-N44 WeakPolarHBondContact O-CB 3.34Å; N40-N44 PolarHBondContact O-N 2.81Å; N40-N44 PolarHBondContact O-ND2 2.91Å; N40-N44 VanDerWaalsContact O-ND2 3.1Å; N44-K47 CarbonylContact O-C 3.55Å; N44-K47 PolarHBondContact O-N 3.1Å
45R40.7Very low42.9Very low132 Ų132120.8 Ų120.850%0.49859%0.59SS.*THydrogen-bonded Turntrans-76.6-25.5173-85.1-169.5175.7-167.1-2.6114.3I41 K47I41-R45 PolarHBondContact O-N 2.65Å; R45-K47 VanDerWaalsContact C-N 3.27Å
46H38.5Very low40.8Very low184 Ų184123.6 Ų123.685%0.85260%0.601SS**SBendtrans-81.5-8.3171-75.6-64.6000113.3
47K33Very low38.9Very low162 Ų162122 Ų12270%0.70460%0.598SS**SBendtrans-124.582.3176.9-67.8-174.3178.9-176.60108.6N44 R45 N49N44-K47 CarbonylContact O-C 3.55Å; N44-K47 PolarHBondContact O-N 3.1Å; R45-K47 VanDerWaalsContact C-N 3.27Å; K47-N49 PolarHBondContact O-N 2.68Å
48Q28.2Very low37.1Very low182 Ų182120.3 Ų120.385%0.8561%0.608SS**  trans-52.8104.2163.5-75.2179.3-18.500108.2
49N28.9Very low35.5Very low140 Ų140128.9 Ų128.975%0.74964%0.642SS**  trans-171.8106.7153.8-88.6-18000106.2K47K47-N49 PolarHBondContact O-N 2.68Å
50F27.5Very low34.1Very low194 Ų194123 Ų12385%0.85162%0.618SS**  trans-58.3129.4-179.9-77.5-96.5000111.3N52F50-N52 PolarHBondContact O-N 3.47Å
51P29.3Very low32.7Very low103 Ų103122.4 Ų122.467%0.66963%0.626SS**  trans-81.496.415530.5-25.2000107.5I53P51-I53 PolarHBondContact O-N 3.5Å
52N24.2Very low31.3Very low131 Ų131129.1 Ų129.170%0.70165%0.653SS**  trans-68.3121.2169.1-86-28.6000109.5F50F50-N52 PolarHBondContact O-N 3.47Å
53I23.8Very low30.3Very low159 Ų159128.2 Ų128.282%0.81565%0.648SS**  trans-86.2114.5171.6-66.1166.6000107.8P51P51-I53 PolarHBondContact O-N 3.5Å
54Q22.2Very low29.3Very low172 Ų172133.9 Ų133.980%0.80467%0.665SS**  trans163.9126.2156.4-96.9170.3-2.700106
55C25.6Very low29.1Very low100 Ų100136 Ų13668%0.67668%0.676SS**  cis-136.6124.435.1-71.70000112.3
56R22.8Very low28.8Very low193 Ų193131.2 Ų131.273%0.72867%0.665SS**  trans-88.4110.6145.5-75.7-169.7167.6166.4-3.1106.1S60R56-S60 WeakPolarHBondContact CG-OG 3.05Å
57S26.6Very low29.1Very low72 Ų72126.2 Ų126.250%0.50364%0.642SS.*  trans-59.815316067.10000108.3Y59 S60 A61S57-Y59 PolarHBondContact O-N 3.48Å; S57-S60 WeakPolarHBondContact O-CA 3.29Å; S57-S60 VanDerWaalsContact O-CB 3.23Å; S57-S60 WeakPolarHBondContact O-CB 3.17Å; S57-S60 PolarHBondContact O-N 3.16Å; S57-S60 PolarHBondContact OG-N 2.82Å; S57-A61 PolarHBondContact O-N 2.9Å
58S26.1Very low29.7Very low115 Ų115119.6 Ų119.680%0.80462%0.616SS**THydrogen-bonded Turntrans-56.9-20.5177.6-46.60000112.9A61S58-A61 WeakPolarHBondContact O-CB 3.49Å
59Y27.2Very low30.6Very low198 Ų198111 Ų11178%0.77658%0.576SS**THydrogen-bonded Turntrans-74.5-32.7169-102.8-89.1000113.7S57 A61 K62S57-Y59 PolarHBondContact O-N 3.48Å; Y59-A61 PolarHBondContact O-N 2.69Å; Y59-K62 PolarHBondContact O-N 3.14Å
60S31.5Very low31.3Very low19 Ų19107.4 Ų107.413%0.13356%0.559CS.*THydrogen-bonded Turntrans-65.9-19171.1173.10000112.9R56 S57 K62 V63R56-S60 WeakPolarHBondContact CG-OG 3.05Å; S57-S60 WeakPolarHBondContact O-CA 3.29Å; S57-S60 VanDerWaalsContact O-CB 3.23Å; S57-S60 WeakPolarHBondContact O-CB 3.17Å; S57-S60 PolarHBondContact O-N 3.16Å; S57-S60 PolarHBondContact OG-N 2.82Å; S60-K62 PolarHBondContact O-N 2.83Å; S60-V63 CarbonylContact O-C 3.5Å; S60-V63 PolarHBondContact O-N 2.75Å; S60-V63 VanDerWaalsContact O-O 3.08Å
61A27.5Very low31.9Very low72 Ų72103.3 Ų103.360%0.59555%0.546SS*.THydrogen-bonded Turntrans-66-25.4174.200000113.4S57 S58 Y59S57-A61 PolarHBondContact O-N 2.9Å; S58-A61 WeakPolarHBondContact O-CB 3.49Å; Y59-A61 PolarHBondContact O-N 2.69Å
62K27.4Very low32.7Very low188 Ų18899.7 Ų99.782%0.81752%0.52SS*.THydrogen-bonded Turntrans-84.6-21.6174.7-76.5-174177.1178.90113.4Y59 S60Y59-K62 PolarHBondContact O-N 3.14Å; S60-K62 PolarHBondContact O-N 2.83Å
63V31.3Very low33.6Very low43 Ų4395.5 Ų95.526%0.26150%0.498SS..  trans-100.791.2180-173.10000108.2S60 D65 A66 K88S60-V63 CarbonylContact O-C 3.5Å; S60-V63 PolarHBondContact O-N 2.75Å; S60-V63 VanDerWaalsContact O-O 3.08Å; V63-D65 PolarHBondContact O-N 3.17Å; V63-A66 HydrophobicContact CG1-CB 4.26Å; V63-K88 HydrophobicContact CG1-CD 3.87Å
64K30.2Very low34.3Very low176 Ų17693.1 Ų93.177%0.76549%0.491SS*.THydrogen-bonded Turntrans-55.6128.2159.5-71-179.9177.8177.10106
65D38.7Very low35Very low120 Ų12088.5 Ų88.564%0.64248%0.475SS*.THydrogen-bonded Turntrans93.118.3171.8-40.6-35.8000119V63V63-D65 PolarHBondContact O-N 3.17Å
66A35.1Very low35.3Very low33 Ų3393.9 Ų93.927%0.27349%0.487SS..BIsolated β-bridgetrans-81.6133.8165.400000112.3V63 K88V63-A66 HydrophobicContact CG1-CB 4.26Å; A66-K88 WeakPolarHBondContact CA-O 3.42Å
67H43.8Very low36.1Very low78 Ų7888.4 Ų88.436%0.36148%0.477SS..  trans-112.1139.8178.7-66.6-78000112L71 V87 K88H67-L71 HydrophobicContact CB-CD1 4.26Å; H67-V87 HydrophobicContact CB-CG1 4.15Å; H67-K88 PolarHBondContact N-O 2.89Å; H67-K88 VanDerWaalsContact N-O 3.14Å
68S45.6Very low36.5Very low24 Ų2491.4 Ų91.417%0.16849%0.487CS..  trans-80.7147.3167.51720000110.6V70 L71 D109 S111S68-V70 PolarHBondContact O-N 3.03Å; S68-V70 VanDerWaalsContact O-N 3.16Å; S68-L71 WeakPolarHBondContact O-CB 3.41Å; S68-L71 PolarHBondContact O-N 2.92Å; S68-L71 VanDerWaalsContact O-N 3.09Å; S68-D109 PolarHBondContact OG-OD2 3.36Å; S68-D109 VanDerWaalsContact OG-OD2 3.09Å; S68-S111 PolarHBondContact OG-OG 2.89Å; S68-S111 VanDerWaalsContact OG-OG 3.13Å
69I46.6Very low37.3Very low1 Ų192.5 Ų92.51%0.00548%0.48CS..G310 helixtrans-56.1-31.7-179.8-67175000112L71 L72 L89 I107 L116 C162I69-L71 PolarHBondContact O-N 3.4Å; I69-L72 PolarHBondContact O-N 3.27Å; I69-L72 VanDerWaalsContact O-N 3.09Å; I69-L89 HydrophobicContact CD1-CD1 4.25Å; I69-L89 HydrophobicContact CG1-CD1 3.72Å; I69-I107 WeakPolarHBondContact CD1-O 3.32Å; I69-L116 HydrophobicContact CD1-CB 3.93Å; I69-L116 HydrophobicContact CG1-CB 4.17Å; I69-L116 HydrophobicContact CG2-CB 4.47Å; I69-C162 WeakPolarHBondContact CG2-SG 3.44Å
70V44.3Very low38.5Very low65 Ų6588.4 Ų88.439%0.39447%0.471SS..G310 helixtrans-54.6-28.6177.9178.40000112.9S68 L72S68-V70 PolarHBondContact O-N 3.03Å; S68-V70 VanDerWaalsContact O-N 3.16Å; V70-L72 PolarHBondContact O-N 2.91Å
71L39.3Very low40.2Very low108 Ų10894.2 Ų94.257%0.56549%0.494SS*.G310 helixtrans-72-14-177.8-73.3161.4000114.1H67 S68 I69H67-L71 HydrophobicContact CB-CD1 4.26Å; S68-L71 WeakPolarHBondContact O-CB 3.41Å; S68-L71 PolarHBondContact O-N 2.92Å; S68-L71 VanDerWaalsContact O-N 3.09Å; I69-L71 PolarHBondContact O-N 3.4Å
72L46.5Very low42.5Very low27 Ų2793.1 Ų93.114%0.14148%0.48CS..G310 helixtrans-90.3-13.2-169.9-61.5166.5000114I69 V70 T74 L116 I141I69-L72 PolarHBondContact O-N 3.27Å; I69-L72 VanDerWaalsContact O-N 3.09Å; V70-L72 PolarHBondContact O-N 2.91Å; L72-T74 PolarHBondContact O-N 3.26Å; L72-L116 HydrophobicContact CD1-CD1 4.03Å; L72-L116 HydrophobicContact CD1-CD2 3.84Å; L72-I141 HydrophobicContact CD1-CD1 3.41Å; L72-I141 VanDerWaalsContact CD1-CD1 3.41Å; L72-I141 HydrophobicContact CD2-CD1 3.29Å; L72-I141 HydrophobicContact CD2-CG1 4.49Å; L72-I141 HydrophobicContact CD2-CG2 4.35Å; L72-I141 HydrophobicContact CG-CD1 3.96Å
73D43.5Very low44.8Very low43 Ų4386.8 Ų86.823%0.2345%0.454CS..SBendtrans-92.815.5-161.2-152.627.5000115.8Y163D73-Y163 WeakPolarHBondContact OD1-CD2 3.41Å; D73-Y163 WeakPolarHBondContact OD1-CE2 3.3Å
74T38.7Very low47.1Very low108 Ų10886.7 Ų86.766%0.66346%0.455SS*.  trans-123.218-167.754.30000117.4L72L72-T74 PolarHBondContact O-N 3.26Å
75T36.6Very low49.8Very low76 Ų7685.1 Ų85.147%0.46645%0.448SS..  trans-123.8109.6-178.654.70000114.4C77T75-C77 PolarHBondContact O-N 3.03Å
76K32.5Very low52.1Low213 Ų21385.1 Ų85.193%0.92645%0.448SS*.  trans-66.3110.3163.2-74.2-177174.8-177.90108.9
77C38.3Very low54.6Low78 Ų7883.6 Ų83.653%0.52744%0.436SS..  trans-151.7151.2-178.9-88.50000114.1T75T75-C77 PolarHBondContact O-N 3.03Å
78N34.9Very low56.8Low134 Ų13482.3 Ų82.372%0.71743%0.429SS*.  trans-64.8154.2-177-71.9-7.2000114.6
79E43.6Very low58.9Low138 Ų13881.3 Ų81.365%0.64542%0.422SS*.THydrogen-bonded Turntrans-50.7142.4-168.8-59.7-177.6156.600116.4K81 P145E79-K81 PolarHBondContact O-N 2.93Å; E79-P145 HydrophobicContact CB-CG 3.96Å; E79-P145 HydrophobicContact CG-CB 4.09Å; E79-P145 HydrophobicContact CG-CG 3.95Å
80N52.8Low61Low112 Ų11284.8 Ų84.860%0.59944%0.439SS*.THydrogen-bonded Turntrans55.715.8174.9-72-15.5000117.2
81K67.9Low63.2Low142 Ų14281.7 Ų81.762%0.61742%0.421SS*.  trans-78.3144.9170.2-81.1-172.6176-179.20112.2E79 I83 H143E79-K81 PolarHBondContact O-N 2.93Å; K81-I83 PolarHBondContact O-N 3.08Å; K81-H143 PolarHBondContact O-N 3.47Å
82V74.9Confident65.6Low49 Ų4981.8 Ų81.830%0.29741%0.414SS..EExtended strand (participates in β ladder)trans-65.6117.8165.5-175.80000108.2C84 K85 D140 I141 Y142V82-C84 VanDerWaalsContact CG1-O 3.29Å; V82-C84 WeakPolarHBondContact CG1-O 3.22Å; V82-K85 HydrophobicContact CB-CG 4.43Å; V82-K85 HydrophobicContact CG1-CD 4.49Å; V82-K85 HydrophobicContact CG1-CG 3.47Å; V82-K85 VanDerWaalsContact CG1-CG 3.47Å; V82-D140 HydrophobicContact CG1-CB 4.21Å; V82-I141 CarbonylContact C-O 3.52Å; V82-I141 WeakPolarHBondContact CA-O 3.35Å; V82-Y142 HydrophobicContact CG2-CD1 3.97Å; V82-Y142 HydrophobicContact CG2-CE1 3.39Å
83I75.7Confident67.7Low55 Ų5580.5 Ų80.528%0.28241%0.407SS..EExtended strand (participates in β ladder)trans-73-47.5174.1-62.5170.4000109.1K81 I141 H143K81-I83 PolarHBondContact O-N 3.08Å; I83-I141 HydrophobicContact CB-CG2 4.29Å; I83-I141 HydrophobicContact CD1-CG2 4.21Å; I83-I141 PolarHBondContact N-O 2.68Å; I83-H143 HydrophobicContact CD1-CB 3.81Å; I83-H143 HydrophobicContact CG1-CB 4.02Å
84C80.7Confident69.6Low41 Ų4179.3 Ų79.328%0.27740%0.4SS..EExtended strand (participates in β ladder)trans-146.5138-177.6-162.40000110.3V82 V87 I141V82-C84 VanDerWaalsContact CG1-O 3.29Å; V82-C84 WeakPolarHBondContact CG1-O 3.22Å; C84-V87 HydrophobicContact CB-CG2 3.69Å; C84-V87 WeakPolarHBondContact SG-CG2 3.4Å; C84-I141 HydrophobicContact CB-CB 4.49Å; C84-I141 PolarHBondContact N-O 3.35Å; C84-I141 PolarHBondContact O-N 3.39Å
85K86.1Confident71.9Confident143 Ų14374.4 Ų74.462%0.62237%0.371SS*.EExtended strand (participates in β ladder)trans-104.8148.8-180-73.9-175.1178.3-172.60110.9V82 V87 D140V82-K85 HydrophobicContact CB-CG 4.43Å; V82-K85 HydrophobicContact CG1-CD 4.49Å; V82-K85 HydrophobicContact CG1-CG 3.47Å; V82-K85 VanDerWaalsContact CG1-CG 3.47Å; K85-V87 VanDerWaalsContact C-N 3.3Å; K85-V87 PolarHBondContact O-N 3.3Å; K85-D140 VanDerWaalsContact CA-OD1 3.29Å; K85-D140 WeakPolarHBondContact CA-OD1 3.29Å
86N87Confident74.3Confident119 Ų11972.8 Ų72.864%0.63636%0.361SS*.EExtended strand (participates in β ladder)trans53.246174.5-57.7-30.5000112.7G139 D140 K169N86-G139 CarbonylContact C-O 3.53Å; N86-G139 WeakPolarHBondContact CA-O 3.43Å; N86-G139 PolarHBondContact N-O 3.37Å; N86-D140 PolarHBondContact N-OD1 2.85Å; N86-K169 PolarHBondContact OD1-NZ 3.49Å; N86-K169 VanDerWaalsContact OD1-NZ 3.08Å
87V88.6Confident76.8Confident2 Ų266.8 Ų66.81%0.01233%0.332CS..EExtended strand (participates in β ladder)trans-80.5132.5175.2175.60000108.9H67 C84 K85 E138 G139 I141 L166H67-V87 HydrophobicContact CB-CG1 4.15Å; C84-V87 HydrophobicContact CB-CG2 3.69Å; C84-V87 WeakPolarHBondContact SG-CG2 3.4Å; K85-V87 VanDerWaalsContact C-N 3.3Å; K85-V87 PolarHBondContact O-N 3.3Å; V87-E138 CarbonylContact O-C 3.46Å; V87-E138 VanDerWaalsContact O-CA 3.3Å; V87-E138 WeakPolarHBondContact O-CA 3.46Å; V87-G139 PolarHBondContact N-O 2.91Å; V87-G139 PolarHBondContact O-N 2.75Å; V87-I141 HydrophobicContact CB-CD1 4.1Å; V87-I141 HydrophobicContact CB-CG1 4.4Å; V87-I141 HydrophobicContact CG1-CD1 3.95Å; V87-I141 HydrophobicContact CG2-CD1 3.92Å; V87-I141 HydrophobicContact CG2-CG1 4.26Å; V87-L166 HydrophobicContact CB-CD1 4.34Å
88K89.1Confident79Confident50 Ų5068.9 Ų68.922%0.21733%0.332CS..EExtended strand (participates in β ladder)trans-102.7121.1164.7-174.7166.1-172.9147.70110.1V63 A66 H67 S136 V137 E138V63-K88 HydrophobicContact CG1-CD 3.87Å; A66-K88 WeakPolarHBondContact CA-O 3.42Å; H67-K88 PolarHBondContact N-O 2.89Å; H67-K88 VanDerWaalsContact N-O 3.14Å; K88-S136 WeakPolarHBondContact CE-OG 3.36Å; K88-V137 WeakPolarHBondContact CA-O 3.3Å; K88-E138 HydrophobicContact CB-CG 4Å; K88-E138 HydrophobicContact CD-CG 4Å; K88-E138 VanDerWaalsContact CD-OE1 3.32Å; K88-E138 WeakPolarHBondContact CD-OE1 3.38Å; K88-E138 WeakPolarHBondContact CE-OE1 3.12Å; K88-E138 HydrophobicContact CG-CG 3.8Å; K88-E138 IonicContact NZ-OE1 2.76Å; K88-E138 PolarHBondContact NZ-OE1 3.48Å
89L88.6Confident81.2Confident3 Ų367.6 Ų67.62%0.01632%0.322CS..EExtended strand (participates in β ladder)trans-114.1138.3176.5178.670.9000109.5I69 I107 L116 S136 V137 L166I69-L89 HydrophobicContact CD1-CD1 4.25Å; I69-L89 HydrophobicContact CG1-CD1 3.72Å; L89-I107 HydrophobicContact CD2-CB 4.18Å; L89-I107 HydrophobicContact CD2-CG2 3.99Å; L89-L116 HydrophobicContact CD2-CB 4.45Å; L89-L116 HydrophobicContact CD2-CD2 3.83Å; L89-S136 CarbonylContact O-C 3.5Å; L89-S136 WeakPolarHBondContact O-CA 3.14Å; L89-V137 PolarHBondContact N-O 2.79Å; L89-V137 PolarHBondContact O-N 3.26Å; L89-L166 HydrophobicContact CB-CD2 4.17Å; L89-L166 HydrophobicContact CD2-CD2 4.24Å
90I91.3Very high82.9Confident74 Ų7471.3 Ų71.338%0.37934%0.336SS..EExtended strand (participates in β ladder)trans-123.9131.8168.7-61.5175.5000108.1L135 L174I90-L135 WeakPolarHBondContact CA-O 3.19Å; I90-L174 HydrophobicContact CD1-CD1 4.48Å; I90-L174 HydrophobicContact CG1-CD1 4.47Å; I90-L174 HydrophobicContact CG2-CD1 3.52Å
91G90.6Very high84.3Confident1 Ų170.3 Ų70.31%0.0134%0.338CS..EExtended strand (participates in β ladder)trans-174.4-175.3176.600000112.9S108 A134 L135G91-S108 CarbonylContact C-O 3.1Å; G91-S108 WeakPolarHBondContact CA-O 3.34Å; G91-A134 WeakPolarHBondContact O-CA 3.17Å; G91-L135 PolarHBondContact N-O 2.77Å; G91-L135 VanDerWaalsContact N-O 3.08Å; G91-L135 PolarHBondContact O-N 3.12Å
92W90.3Very high85Confident110 Ų11064.6 Ų64.642%0.41732%0.315SS..EExtended strand (participates in β ladder)trans-102.6134-179.2-61.8-90.7000111.1Q94 S108 C133W92-Q94 PolarHBondContact O-N 3.03Å; W92-Q94 PolarHBondContact O-NE2 3.22Å; W92-S108 PolarHBondContact N-O 3.41Å; W92-S108 PolarHBondContact O-N 3.22Å; W92-C133 WeakPolarHBondContact CA-O 3.11Å
93V89.4Confident85.6Confident0 Ų062.5 Ų62.50%030%0.303CS..EExtended strand (participates in β ladder)trans-65122.6176.4179.20000109.8V96 I129 T130 V131 G132 C133 L135V93-V96 HydrophobicContact CG1-CG2 3.41Å; V93-V96 VanDerWaalsContact CG1-CG2 3.41Å; V93-I129 HydrophobicContact CG2-CG2 4.22Å; V93-T130 WeakPolarHBondContact CB-O 3.25Å; V93-V131 WeakPolarHBondContact O-CG1 3.26Å; V93-G132 PolarHBondContact O-N 3.12Å; V93-C133 HydrophobicContact CG2-CB 4.41Å; V93-C133 WeakPolarHBondContact CG2-O 3.3Å; V93-C133 PolarHBondContact N-O 3.09Å; V93-L135 HydrophobicContact CG2-CD1 3.32Å; V93-L135 HydrophobicContact CG2-CG 3.61Å
94Q85.3Confident86.2Confident17 Ų1761.9 Ų61.98%0.07930%0.298CS..EExtended strand (participates in β ladder)trans-95.9-29.3178.6-59.9-60.6-57.700112.5W92 N106 G211 R212W92-Q94 PolarHBondContact O-N 3.03Å; W92-Q94 PolarHBondContact O-NE2 3.22Å; Q94-N106 HydrophobicContact CB-CB 4.28Å; Q94-N106 PolarHBondContact N-O 2.81Å; Q94-G211 VanDerWaalsContact O-CA 3.26Å; Q94-G211 WeakPolarHBondContact O-CA 3.45Å; Q94-R212 PolarHBondContact O-N 3.12Å
95S85.6Confident86.6Confident6 Ų659.9 Ų59.94%0.04229%0.285CS..EExtended strand (participates in β ladder)trans-159.5149.3176.966.20000110.5C105 N106S95-C105 WeakPolarHBondContact O-CA 3.35Å; S95-N106 PolarHBondContact O-N 2.94Å; S95-N106 WeakPolarHBondContact OG-CB 3.1Å; S95-N106 PolarHBondContact OG-ND2 2.94Å
96V87.2Confident86.7Confident42 Ų4253.2 Ų53.226%0.25526%0.256SS..EExtended strand (participates in β ladder)trans-126.2128.5172.9-175.70000108.8V93 K98 V103 F104 I129V93-V96 HydrophobicContact CG1-CG2 3.41Å; V93-V96 VanDerWaalsContact CG1-CG2 3.41Å; V96-K98 HydrophobicContact CG1-CG 4.18Å; V96-V103 HydrophobicContact CG1-CG1 3.89Å; V96-F104 CarbonylContact C-O 3.55Å; V96-F104 WeakPolarHBondContact CA-O 3.22Å; V96-I129 HydrophobicContact CG2-CG2 4.36Å
97R85.9Confident86.8Confident87 Ų8747.6 Ų47.633%0.32823%0.226SC..EExtended strand (participates in β ladder)trans-124.4108.5173.6-61.6-175.8-64-130.72.3109.4V103 F104 Q117R97-V103 WeakPolarHBondContact O-CA 3.19Å; R97-V103 WeakPolarHBondContact O-CG1 3.4Å; R97-F104 HydrophobicContact CB-CB 4.36Å; R97-F104 PolarHBondContact N-O 3.06Å; R97-F104 PolarHBondContact O-N 3.41Å; R97-Q117 VanDerWaalsContact NH2-OE1 3.07Å
98K84.7Confident86.8Confident122 Ų12247.7 Ų47.753%0.5323%0.226SC..EExtended strand (participates in β ladder)trans-88.1120.2-179.3-60.8-174.8179.1-174.40110.1V96 V103 D127V96-K98 HydrophobicContact CG1-CG 4.18Å; K98-V103 HydrophobicContact CB-CG2 4.31Å; K98-V103 HydrophobicContact CG-CG1 4.15Å; K98-V103 HydrophobicContact CG-CG2 4.29Å; K98-D127 IonicContact NZ-OD1 3.19Å; K98-D127 PolarHBondContact NZ-OD1 3.08Å
99H80Confident86.7Confident106 Ų10647 Ų4749%0.49123%0.225SC..  trans-116167.6168.4-65.6-100000110.3S101 C102 F104H99-S101 VanDerWaalsContact C-N 3.32Å; H99-S101 PolarHBondContact O-N 2.82Å; H99-C102 CarbonylContact C-O 3.59Å; H99-C102 WeakPolarHBondContact CA-O 3.45Å; H99-C102 VanDerWaalsContact CB-O 3.26Å; H99-C102 WeakPolarHBondContact CB-O 3.28Å; H99-C102 PolarHBondContact N-O 2.86Å; H99-C102 VanDerWaalsContact O-O 3.04Å; H99-F104 AromaticContact CD2-CD2 3.67Å; H99-F104 AromaticContact CD2-CE2 3.73Å
100K79.4Confident86.6Confident216 Ų21648.9 Ų48.994%0.93925%0.245SC*.SBendtrans-60.8-37.5-178.4-67.3-175.6179.1-178.90113.4
101S81.6Confident86.3Confident92 Ų9247 Ų4764%0.64324%0.239SC*.SBendtrans-100.2-22.3-173.6540000114.3H99 P122H99-S101 VanDerWaalsContact C-N 3.32Å; H99-S101 PolarHBondContact O-N 2.82Å; S101-P122 VanDerWaalsContact O-CD 3.3Å; S101-P122 WeakPolarHBondContact O-CD 3.33Å
102C83.4Confident86.1Confident22 Ų2247.1 Ų47.115%0.14924%0.239CC..  trans-158.5161.9-175.656.90000110.2H99 F104 V119H99-C102 CarbonylContact C-O 3.59Å; H99-C102 WeakPolarHBondContact CA-O 3.45Å; H99-C102 VanDerWaalsContact CB-O 3.26Å; H99-C102 WeakPolarHBondContact CB-O 3.28Å; H99-C102 PolarHBondContact N-O 2.86Å; H99-C102 VanDerWaalsContact O-O 3.04Å; C102-F104 WeakPolarHBondContact SG-CE2 3.39Å; C102-F104 WeakPolarHBondContact SG-CZ 3.41Å; C102-V119 HydrophobicContact CB-CG1 4.09Å
103V86.9Confident85.8Confident5 Ų542 Ų423%0.0322%0.22CC..EExtended strand (participates in β ladder)trans-124.1135.3171.3178.90000108.9V96 R97 K98 I120 I125V96-V103 HydrophobicContact CG1-CG1 3.89Å; R97-V103 WeakPolarHBondContact O-CA 3.19Å; R97-V103 WeakPolarHBondContact O-CG1 3.4Å; K98-V103 HydrophobicContact CB-CG2 4.31Å; K98-V103 HydrophobicContact CG-CG1 4.15Å; K98-V103 HydrophobicContact CG-CG2 4.29Å; V103-I120 PolarHBondContact N-O 3.28Å; V103-I120 PolarHBondContact O-N 2.81Å; V103-I125 HydrophobicContact CB-CD1 3.11Å; V103-I125 HydrophobicContact CG1-CD1 3.34Å; V103-I125 HydrophobicContact CG2-CD1 3.19Å
104F88.7Confident85.6Confident41 Ų4142.7 Ų42.718%0.1822%0.223CC..EExtended strand (participates in β ladder)trans-104.3120.9177.5-57.5-82.9000109.4V96 R97 H99 C102 Q117 V118 V119V96-F104 CarbonylContact C-O 3.55Å; V96-F104 WeakPolarHBondContact CA-O 3.22Å; R97-F104 HydrophobicContact CB-CB 4.36Å; R97-F104 PolarHBondContact N-O 3.06Å; R97-F104 PolarHBondContact O-N 3.41Å; H99-F104 AromaticContact CD2-CD2 3.67Å; H99-F104 AromaticContact CD2-CE2 3.73Å; C102-F104 WeakPolarHBondContact SG-CE2 3.39Å; C102-F104 WeakPolarHBondContact SG-CZ 3.41Å; F104-Q117 HydrophobicContact CD1-CG 4.05Å; F104-V118 WeakPolarHBondContact CA-O 3.33Å; F104-V119 HydrophobicContact CD1-CG2 3.87Å; F104-V119 HydrophobicContact CE1-CG1 4.38Å; F104-V119 HydrophobicContact CE1-CG2 3.81Å
105C89.3Confident85.5Confident0 Ų042 Ų420%022%0.219CC..EExtended strand (participates in β ladder)trans-112.8125171.3-68.70000108.7S95 I107 V118 I120S95-C105 WeakPolarHBondContact O-CA 3.35Å; C105-I107 HydrophobicContact CB-CG1 4.49Å; C105-V118 HydrophobicContact CB-CB 4.34Å; C105-V118 PolarHBondContact N-O 2.85Å; C105-V118 WeakPolarHBondContact O-CA 3.45Å; C105-V118 WeakPolarHBondContact O-CB 3.39Å; C105-V118 PolarHBondContact O-N 2.74Å; C105-I120 HydrophobicContact CB-CD1 4.27Å
106N88.6Confident85.6Confident3 Ų341.7 Ų41.72%0.01622%0.217CC..EExtended strand (participates in β ladder)trans-86.6128.8165.9-72.5-4.8000107.9Q94 S95 D115 L116 Q161Q94-N106 HydrophobicContact CB-CB 4.28Å; Q94-N106 PolarHBondContact N-O 2.81Å; S95-N106 PolarHBondContact O-N 2.94Å; S95-N106 WeakPolarHBondContact OG-CB 3.1Å; S95-N106 PolarHBondContact OG-ND2 2.94Å; N106-D115 HydrophobicContact CB-CB 4.12Å; N106-L116 WeakPolarHBondContact CA-O 3.32Å; N106-Q161 PolarHBondContact ND2-NE2 3.27Å; N106-Q161 PolarHBondContact OD1-NE2 2.61Å
107I89Confident85.7Confident1 Ų140.7 Ų40.71%0.00521%0.21CC..EExtended strand (participates in β ladder)trans-118.3136.5179.5-58.8-172.4000109I69 L89 C105 L116 V118 L135 V137I69-I107 WeakPolarHBondContact CD1-O 3.32Å; L89-I107 HydrophobicContact CD2-CB 4.18Å; L89-I107 HydrophobicContact CD2-CG2 3.99Å; C105-I107 HydrophobicContact CB-CG1 4.49Å; I107-L116 PolarHBondContact N-O 3.07Å; I107-L116 PolarHBondContact O-N 2.76Å; I107-V118 HydrophobicContact CB-CG2 4.25Å; I107-V118 HydrophobicContact CD1-CB 4.28Å; I107-V118 HydrophobicContact CD1-CG2 3.55Å; I107-V118 HydrophobicContact CG1-CG2 3.75Å; I107-L135 HydrophobicContact CD1-CB 4.16Å; I107-L135 HydrophobicContact CD1-CD1 3.95Å; I107-V137 HydrophobicContact CD1-CG2 3.67Å
108S87.5Confident85.9Confident4 Ų436.6 Ų36.63%0.02819%0.194CC..EExtended strand (participates in β ladder)trans-126.1141.6172-169.90000110.3G91 W92 G110 D115G91-S108 CarbonylContact C-O 3.1Å; G91-S108 WeakPolarHBondContact CA-O 3.34Å; W92-S108 PolarHBondContact N-O 3.41Å; W92-S108 PolarHBondContact O-N 3.22Å; S108-G110 PolarHBondContact OG-N 2.98Å; S108-D115 WeakPolarHBondContact CB-OD1 3.26Å
109D87.7Confident86.2Confident36 Ų3632 Ų3219%0.19318%0.176CC..  trans-98.12.1171.768.8-0.5000112.4S68 S111S68-D109 PolarHBondContact OG-OD2 3.36Å; S68-D109 VanDerWaalsContact OG-OD2 3.09Å; D109-S111 PolarHBondContact O-N 3.22Å; D109-S111 VanDerWaalsContact OD1-CB 3.27Å; D109-S111 WeakPolarHBondContact OD1-CB 3.33Å; D109-S111 PolarHBondContact OD1-N 3.12Å; D109-S111 PolarHBondContact OD1-OG 3.43Å; D109-S111 PolarHBondContact OD2-OG 2.91Å; D109-S111 VanDerWaalsContact OD2-OG 3.07Å
110G86.1Confident86.6Confident41 Ų4127 Ų2742%0.42315%0.153SC..SBendtrans74.5-5.8-178.300000115.3S108 S112 R242S108-G110 PolarHBondContact OG-N 2.98Å; G110-S112 VanDerWaalsContact C-N 3.27Å; G110-S112 PolarHBondContact O-N 3.09Å; G110-R242 PolarHBondContact O-NH1 3.38Å
111S85.7Confident86.9Confident36 Ų3621.6 Ų21.625%0.25213%0.134SC..SBendtrans-74.3-16.6-177.470.40000113.7S68 D109 R242S68-S111 PolarHBondContact OG-OG 2.89Å; S68-S111 VanDerWaalsContact OG-OG 3.13Å; D109-S111 PolarHBondContact O-N 3.22Å; D109-S111 VanDerWaalsContact OD1-CB 3.27Å; D109-S111 WeakPolarHBondContact OD1-CB 3.33Å; D109-S111 PolarHBondContact OD1-N 3.12Å; D109-S111 PolarHBondContact OD1-OG 3.43Å; D109-S111 PolarHBondContact OD2-OG 2.91Å; D109-S111 VanDerWaalsContact OD2-OG 3.07Å; S111-R242 WeakPolarHBondContact O-CD 3.33Å
112S86.4Confident86.8Confident3 Ų319.8 Ų19.82%0.02112%0.12CC..SBendtrans-149.4167.6-175.380.60000110.7G110 Y114 R242G110-S112 VanDerWaalsContact C-N 3.27Å; G110-S112 PolarHBondContact O-N 3.09Å; S112-Y114 PolarHBondContact O-N 3.29Å; S112-Y114 WeakPolarHBondContact OG-CD2 3.4Å; S112-Y114 PolarHBondContact OG-N 3.12Å; S112-Y114 VanDerWaalsContact OG-N 3.15Å; S112-R242 VanDerWaalsContact C-CZ 3.43Å; S112-R242 PolarHBondContact O-NH1 3.39Å
113P84.5Confident86.5Confident1 Ų123.6 Ų23.61%0.00615%0.147CC..SBendtrans-66.4-15170.625.2-33.9000113.5A384 N387 D388 L391P113-A384 HydrophobicContact CG-CB 4.33Å; P113-A384 WeakPolarHBondContact CG-O 3.3Å; P113-N387 HydrophobicContact CB-CB 4.16Å; P113-N387 HydrophobicContact CG-CB 3.84Å; P113-D388 WeakPolarHBondContact CB-OD1 3.44Å; P113-L391 HydrophobicContact CB-CD1 3.77Å
114Y83.6Confident85.8Confident16 Ų1627.8 Ų27.86%0.06317%0.166CC..EExtended strand (participates in β ladder)trans-85.5139.9-168.5-49.7-75.9000112.7S112 V160 C162 A384 N387S112-Y114 PolarHBondContact O-N 3.29Å; S112-Y114 WeakPolarHBondContact OG-CD2 3.4Å; S112-Y114 PolarHBondContact OG-N 3.12Å; S112-Y114 VanDerWaalsContact OG-N 3.15Å; Y114-V160 VanDerWaalsContact CA-O 3.3Å; Y114-V160 WeakPolarHBondContact CA-O 3.36Å; Y114-V160 HydrophobicContact CD1-CB 3.91Å; Y114-V160 HydrophobicContact CD1-CG1 3.5Å; Y114-V160 HydrophobicContact CE1-CB 4.23Å; Y114-V160 HydrophobicContact CE1-CG1 3.45Å; Y114-V160 VanDerWaalsContact CE1-CG1 3.45Å; Y114-C162 VanDerWaalsContact CB-SG 3.56Å; Y114-A384 HydrophobicContact CE2-CB 3.79Å; Y114-A384 WeakPolarHBondContact OH-CA 3.37Å; Y114-A384 PolarHBondContact OH-N 2.98Å; Y114-A384 VanDerWaalsContact OH-N 3.12Å; Y114-N387 PolarHBondContact OH-ND2 3.45Å
115D84.7Confident85Confident1 Ų127.4 Ų27.41%0.00517%0.166CC..EExtended strand (participates in β ladder)trans-105139.1167.5-64.2-6.9000109.7N106 S108 T159 V160 C162 R212N106-D115 HydrophobicContact CB-CB 4.12Å; S108-D115 WeakPolarHBondContact CB-OD1 3.26Å; D115-T159 HydrophobicContact CB-CG2 4.01Å; D115-T159 WeakPolarHBondContact OD2-CG2 3.29Å; D115-V160 PolarHBondContact N-O 2.79Å; D115-V160 VanDerWaalsContact N-O 3.09Å; D115-C162 PolarHBondContact O-N 2.78Å; D115-C162 VanDerWaalsContact O-N 3.12Å; D115-R212 IonicContact OD1-CZ 3.14Å; D115-R212 IonicContact OD1-NE 3.94Å; D115-R212 IonicContact OD1-NH1 3.5Å; D115-R212 PolarHBondContact OD1-NH1 3.47Å; D115-R212 IonicContact OD1-NH2 3.67Å; D115-R212 PolarHBondContact OD1-NH2 3.16Å; D115-R212 IonicContact OD2-CZ 3.3Å; D115-R212 VanDerWaalsContact OD2-CZ 3.3Å; D115-R212 IonicContact OD2-NE 3.47Å; D115-R212 PolarHBondContact OD2-NE 3.38Å; D115-R212 IonicContact OD2-NH1 3.41Å; D115-R212 PolarHBondContact OD2-NH1 3.24Å; D115-R212 IonicContact OD2-NH2 2.67Å
116L86.6Confident83.9Confident1 Ų130.6 Ų30.61%0.00519%0.185CC..EExtended strand (participates in β ladder)trans-93.4125.2170.9-17265.3000109.7I69 L72 L89 N106 I107 V118 I141 C162 G164 L166I69-L116 HydrophobicContact CD1-CB 3.93Å; I69-L116 HydrophobicContact CG1-CB 4.17Å; I69-L116 HydrophobicContact CG2-CB 4.47Å; L72-L116 HydrophobicContact CD1-CD1 4.03Å; L72-L116 HydrophobicContact CD1-CD2 3.84Å; L89-L116 HydrophobicContact CD2-CB 4.45Å; L89-L116 HydrophobicContact CD2-CD2 3.83Å; N106-L116 WeakPolarHBondContact CA-O 3.32Å; I107-L116 PolarHBondContact N-O 3.07Å; I107-L116 PolarHBondContact O-N 2.76Å; L116-V118 PolarHBondContact O-N 3.05Å; L116-I141 HydrophobicContact CD2-CD1 4.19Å; L116-C162 HydrophobicContact CD1-CB 3.96Å; L116-G164 WeakPolarHBondContact CD1-O 3.49Å; L116-L166 HydrophobicContact CD2-CB 3.83Å; L116-L166 HydrophobicContact CD2-CD2 4.46Å; L116-L166 HydrophobicContact CG-CB 4.39Å
117Q88.6Confident83Confident21 Ų2136.8 Ų36.810%0.09822%0.219CC..EExtended strand (participates in β ladder)trans-72.2128.1170.3-178.2170.9-86.800109.4R97 F104 E165 L166R97-Q117 VanDerWaalsContact NH2-OE1 3.07Å; F104-Q117 HydrophobicContact CD1-CG 4.05Å; Q117-E165 HydrophobicContact CB-CB 4.48Å; Q117-E165 PolarHBondContact NE2-OE2 3.36Å; Q117-E165 CarbonylContact O-C 3.56Å; Q117-E165 VanDerWaalsContact O-CA 3.22Å; Q117-E165 WeakPolarHBondContact O-CA 3.26Å; Q117-L166 PolarHBondContact O-N 2.85Å
118V90.9Very high82.3Confident0 Ų041 Ų410%024%0.237CC..EExtended strand (participates in β ladder)trans-113.1125175.2-176.50000108.6F104 C105 I107 L116 I120 V137 L166 A168F104-V118 WeakPolarHBondContact CA-O 3.33Å; C105-V118 HydrophobicContact CB-CB 4.34Å; C105-V118 PolarHBondContact N-O 2.85Å; C105-V118 WeakPolarHBondContact O-CA 3.45Å; C105-V118 WeakPolarHBondContact O-CB 3.39Å; C105-V118 PolarHBondContact O-N 2.74Å; I107-V118 HydrophobicContact CB-CG2 4.25Å; I107-V118 HydrophobicContact CD1-CB 4.28Å; I107-V118 HydrophobicContact CD1-CG2 3.55Å; I107-V118 HydrophobicContact CG1-CG2 3.75Å; L116-V118 PolarHBondContact O-N 3.05Å; V118-I120 HydrophobicContact CG1-CD1 4.31Å; V118-I120 HydrophobicContact CG1-CG1 3.85Å; V118-V137 HydrophobicContact CG1-CG1 3.8Å; V118-V137 HydrophobicContact CG1-CG2 4.35Å; V118-L166 CarbonylContact C-O 3.34Å; V118-L166 VanDerWaalsContact CA-O 3.29Å; V118-L166 WeakPolarHBondContact CA-O 3.49Å; V118-L166 HydrophobicContact CG1-CD2 4.3Å; V118-L166 HydrophobicContact CG2-CB 4.17Å; V118-L166 HydrophobicContact CG2-CD2 4.03Å; V118-A168 HydrophobicContact CG1-CB 4.03Å
119V90.4Very high82.1Confident25 Ų2541.2 Ų41.215%0.15224%0.238CC..EExtended strand (participates in β ladder)trans-99.5119.6176-173.60000108.3C102 F104 E165 L166 R167 A168C102-V119 HydrophobicContact CB-CG1 4.09Å; F104-V119 HydrophobicContact CD1-CG2 3.87Å; F104-V119 HydrophobicContact CE1-CG1 4.38Å; F104-V119 HydrophobicContact CE1-CG2 3.81Å; V119-E165 HydrophobicContact CG2-CB 4.07Å; V119-E165 HydrophobicContact CG2-CG 4.37Å; V119-E165 WeakPolarHBondContact CG2-OE2 3.4Å; V119-L166 PolarHBondContact N-O 3.02Å; V119-R167 HydrophobicContact CB-CG 4.46Å; V119-A168 PolarHBondContact O-N 3.05Å
120I89.8Confident81.9Confident1 Ų143.2 Ų43.21%0.00525%0.251CS..EExtended strand (participates in β ladder)trans-118.6137.9-178.3-49.1171.6000108.5V103 C105 V118 E124 I125 I129 A168 V171V103-I120 PolarHBondContact N-O 3.28Å; V103-I120 PolarHBondContact O-N 2.81Å; C105-I120 HydrophobicContact CB-CD1 4.27Å; V118-I120 HydrophobicContact CG1-CD1 4.31Å; V118-I120 HydrophobicContact CG1-CG1 3.85Å; I120-E124 HydrophobicContact CG2-CB 3.89Å; I120-I125 HydrophobicContact CB-CD1 4.08Å; I120-I125 HydrophobicContact CB-CG1 4.28Å; I120-I125 HydrophobicContact CG2-CD1 4.06Å; I120-I125 HydrophobicContact CG2-CG1 3.73Å; I120-I129 HydrophobicContact CD1-CD1 4.42Å; I120-A168 HydrophobicContact CG1-CB 4.04Å; I120-V171 HydrophobicContact CD1-CG1 4.38Å; I120-V171 HydrophobicContact CD1-CG2 4.03Å; I120-V171 HydrophobicContact CG1-CG2 4.09Å; I120-V171 HydrophobicContact CG2-CG2 3.91Å
121L85.2Confident81.8Confident103 Ų10343 Ų4354%0.53924%0.242SC..  trans-70.2140.8172.5-70.3173.9000109.8S123 E124L121-S123 PolarHBondContact O-N 3.37Å; L121-S123 VanDerWaalsContact O-N 3.1Å; L121-E124 HydrophobicContact CB-CG 4.26Å; L121-E124 PolarHBondContact O-N 3.37Å
122P79.2Confident81.7Confident54 Ų5442.3 Ų42.335%0.35124%0.24SC..G310 helixtrans-58.1-28.5-179.2-25.135.5000113.6S101 E124 I125S101-P122 VanDerWaalsContact O-CD 3.3Å; S101-P122 WeakPolarHBondContact O-CD 3.33Å; P122-E124 VanDerWaalsContact C-N 3.29Å; P122-E124 PolarHBondContact O-N 3.3Å; P122-I125 PolarHBondContact O-N 3.11Å
123S78.1Confident81.7Confident102 Ų10242.7 Ų42.771%0.71324%0.242SC*.G310 helixtrans-67.4-25.3176.454.30000114.3L121L121-S123 PolarHBondContact O-N 3.37Å; L121-S123 VanDerWaalsContact O-N 3.1Å
124E71.5Confident82Confident93 Ų9343.6 Ų43.644%0.43525%0.25SS..G310 helixtrans-89.8-8.1-179.8-67.4-81.2146.200111.8I120 L121 P122I120-E124 HydrophobicContact CG2-CB 3.89Å; L121-E124 HydrophobicContact CB-CG 4.26Å; L121-E124 PolarHBondContact O-N 3.37Å; P122-E124 VanDerWaalsContact C-N 3.29Å; P122-E124 PolarHBondContact O-N 3.3Å
125I71.3Confident82.3Confident34 Ų3442.9 Ų42.917%0.17425%0.247CC..  trans-85.7134.2-176.8-88172.3000111.9V103 I120 P122 I129V103-I125 HydrophobicContact CB-CD1 3.11Å; V103-I125 HydrophobicContact CG1-CD1 3.34Å; V103-I125 HydrophobicContact CG2-CD1 3.19Å; I120-I125 HydrophobicContact CB-CD1 4.08Å; I120-I125 HydrophobicContact CB-CG1 4.28Å; I120-I125 HydrophobicContact CG2-CD1 4.06Å; I120-I125 HydrophobicContact CG2-CG1 3.73Å; P122-I125 PolarHBondContact O-N 3.11Å; I125-I129 HydrophobicContact CG1-CD1 4.18Å
126T67.5Low82.6Confident66 Ų6643 Ų4341%0.40525%0.248SC..  trans-98.214416261.80000108.5K128 I129 I173T126-K128 PolarHBondContact O-N 3.21Å; T126-I129 PolarHBondContact O-N 3.44Å; T126-I129 VanDerWaalsContact O-N 3.1Å; T126-I173 WeakPolarHBondContact OG1-CD1 3.09Å
127D68.5Low82.8Confident134 Ų13443 Ų4372%0.71725%0.248SC*.THydrogen-bonded Turntrans-59.8-6.2172.4-75.9-42.8000113.5K98K98-D127 IonicContact NZ-OD1 3.19Å; K98-D127 PolarHBondContact NZ-OD1 3.08Å
128K75.3Confident83Confident88 Ų8845 Ų4538%0.38326%0.258SS..THydrogen-bonded Turntrans-76.9-14.5176.1-55.5-171.1179.2-163.90113.8T126 T130 C133 I173 Q179T126-K128 PolarHBondContact O-N 3.21Å; K128-T130 PolarHBondContact O-N 2.65Å; K128-T130 VanDerWaalsContact O-N 3.12Å; K128-C133 PolarHBondContact O-SG 3.29Å; K128-I173 HydrophobicContact CB-CD1 3.46Å; K128-I173 VanDerWaalsContact CB-CD1 3.46Å; K128-Q179 VanDerWaalsContact NZ-OE1 3.1Å
129I82.3Confident83Confident10 Ų1045.1 Ų45.15%0.05126%0.258CS..  trans-75.8102.5176.2-57.2-175.8000109.4V93 V96 I120 I125 T126 L135 V171 I173V93-I129 HydrophobicContact CG2-CG2 4.22Å; V96-I129 HydrophobicContact CG2-CG2 4.36Å; I120-I129 HydrophobicContact CD1-CD1 4.42Å; I125-I129 HydrophobicContact CG1-CD1 4.18Å; T126-I129 PolarHBondContact O-N 3.44Å; T126-I129 VanDerWaalsContact O-N 3.1Å; I129-L135 HydrophobicContact CD1-CD1 4.46Å; I129-L135 HydrophobicContact CD1-CD2 4.36Å; I129-L135 HydrophobicContact CG1-CD2 4.25Å; I129-L135 HydrophobicContact CG2-CD1 3.99Å; I129-L135 HydrophobicContact CG2-CD2 4.43Å; I129-V171 HydrophobicContact CD1-CG1 3.88Å; I129-I173 HydrophobicContact CG1-CD1 3.88Å; I129-I173 HydrophobicContact CG1-CG1 4.08Å
130T84.2Confident82.9Confident77 Ų7744.7 Ų44.747%0.47226%0.255SS..  trans-119.8168.6176.964.90000111.2V93 K128 C133V93-T130 WeakPolarHBondContact CB-O 3.25Å; K128-T130 PolarHBondContact O-N 2.65Å; K128-T130 VanDerWaalsContact O-N 3.12Å; T130-C133 PolarHBondContact N-SG 3.33Å; T130-C133 VanDerWaalsContact N-SG 3.42Å; T130-C133 VanDerWaalsContact O-CB 3.26Å; T130-C133 WeakPolarHBondContact O-CB 3.46Å; T130-C133 PolarHBondContact O-N 3.42Å; T130-C133 PolarHBondContact O-SG 3.11Å; T130-C133 PolarHBondContact OG1-SG 2.96Å
131V84.6Confident82.8Confident38 Ų3844.7 Ų44.723%0.2326%0.255CS..THydrogen-bonded Turntrans-62.9137.6173.6-177.90000109.2V93 C133V93-V131 WeakPolarHBondContact O-CG1 3.26Å; V131-C133 VanDerWaalsContact C-N 3.27Å; V131-C133 PolarHBondContact O-N 3.43Å
132G83.3Confident82.6Confident20 Ų2041.9 Ų41.921%0.20624%0.238CC..THydrogen-bonded Turntrans88.2-13.5-176.800000113.8V93V93-G132 PolarHBondContact O-N 3.12Å
133C86Confident82.4Confident12 Ų1241.1 Ų41.18%0.08123%0.229CC..  trans-62.6138.6172.8-72.60000111.1W92 V93 K128 T130 V131W92-C133 WeakPolarHBondContact CA-O 3.11Å; V93-C133 HydrophobicContact CG2-CB 4.41Å; V93-C133 WeakPolarHBondContact CG2-O 3.3Å; V93-C133 PolarHBondContact N-O 3.09Å; K128-C133 PolarHBondContact O-SG 3.29Å; T130-C133 PolarHBondContact N-SG 3.33Å; T130-C133 VanDerWaalsContact N-SG 3.42Å; T130-C133 VanDerWaalsContact O-CB 3.26Å; T130-C133 WeakPolarHBondContact O-CB 3.46Å; T130-C133 PolarHBondContact O-N 3.42Å; T130-C133 PolarHBondContact O-SG 3.11Å; T130-C133 PolarHBondContact OG1-SG 2.96Å; V131-C133 VanDerWaalsContact C-N 3.27Å; V131-C133 PolarHBondContact O-N 3.43Å
134A89.9Confident82Confident20 Ų2037.7 Ų37.717%0.16520%0.203CC..EExtended strand (participates in β ladder)trans-82.5124.9168.100000109.8G91 L174G91-A134 WeakPolarHBondContact O-CA 3.17Å; A134-L174 HydrophobicContact CB-CB 4.13Å; A134-L174 PolarHBondContact O-N 2.99Å
135L89.7Confident81.2Confident0 Ų035 Ų350%019%0.194CC..EExtended strand (participates in β ladder)trans-117143176.9-62.2-177.3000110.5I90 G91 V93 I107 I129 V137 V171 S172 I173I90-L135 WeakPolarHBondContact CA-O 3.19Å; G91-L135 PolarHBondContact N-O 2.77Å; G91-L135 VanDerWaalsContact N-O 3.08Å; G91-L135 PolarHBondContact O-N 3.12Å; V93-L135 HydrophobicContact CG2-CD1 3.32Å; V93-L135 HydrophobicContact CG2-CG 3.61Å; I107-L135 HydrophobicContact CD1-CB 4.16Å; I107-L135 HydrophobicContact CD1-CD1 3.95Å; I129-L135 HydrophobicContact CD1-CD1 4.46Å; I129-L135 HydrophobicContact CD1-CD2 4.36Å; I129-L135 HydrophobicContact CG1-CD2 4.25Å; I129-L135 HydrophobicContact CG2-CD1 3.99Å; I129-L135 HydrophobicContact CG2-CD2 4.43Å; L135-V137 HydrophobicContact CB-CG2 4.06Å; L135-V171 HydrophobicContact CD1-CG1 4.36Å; L135-V171 HydrophobicContact CD2-CG1 4.33Å; L135-S172 WeakPolarHBondContact CA-O 3.44Å; L135-I173 HydrophobicContact CD2-CB 4.31Å; L135-I173 HydrophobicContact CD2-CG1 3.64Å
136S92.1Very high80.3Confident4 Ų440.1 Ų40.13%0.02822%0.221CC..EExtended strand (participates in β ladder)trans-104.3121.7157.9163.80000107.7K88 L89 S172K88-S136 WeakPolarHBondContact CE-OG 3.36Å; L89-S136 CarbonylContact O-C 3.5Å; L89-S136 WeakPolarHBondContact O-CA 3.14Å; S136-S172 WeakPolarHBondContact CB-OG 3.27Å; S136-S172 PolarHBondContact N-O 3.44Å; S136-S172 PolarHBondContact O-N 2.83Å; S136-S172 PolarHBondContact O-OG 2.74Å
137V91.2Very high79.4Confident0 Ų038.5 Ų38.50%021%0.21CC..EExtended strand (participates in β ladder)trans-122.2126.5-179-1740000109.1K88 L89 I107 V118 L135 L166 A168 I170 V171K88-V137 WeakPolarHBondContact CA-O 3.3Å; L89-V137 PolarHBondContact N-O 2.79Å; L89-V137 PolarHBondContact O-N 3.26Å; I107-V137 HydrophobicContact CD1-CG2 3.67Å; V118-V137 HydrophobicContact CG1-CG1 3.8Å; V118-V137 HydrophobicContact CG1-CG2 4.35Å; L135-V137 HydrophobicContact CB-CG2 4.06Å; V137-L166 HydrophobicContact CB-CD2 3.86Å; V137-L166 HydrophobicContact CG1-CD2 3.47Å; V137-L166 VanDerWaalsContact CG1-CD2 3.47Å; V137-L166 HydrophobicContact CG1-CG 4.28Å; V137-A168 HydrophobicContact CG1-CB 3.53Å; V137-I170 WeakPolarHBondContact CA-O 3.47Å; V137-V171 HydrophobicContact CG1-CG2 4.31Å; V137-V171 HydrophobicContact CG2-CG1 4.41Å
138E92.1Very high78Confident65 Ų6538 Ų3830%0.30421%0.207SC..EExtended strand (participates in β ladder)trans-109.7134.8170.7-60.3-179-16900109.1V87 K88 K169 I170V87-E138 CarbonylContact O-C 3.46Å; V87-E138 VanDerWaalsContact O-CA 3.3Å; V87-E138 WeakPolarHBondContact O-CA 3.46Å; K88-E138 HydrophobicContact CB-CG 4Å; K88-E138 HydrophobicContact CD-CG 4Å; K88-E138 VanDerWaalsContact CD-OE1 3.32Å; K88-E138 WeakPolarHBondContact CD-OE1 3.38Å; K88-E138 WeakPolarHBondContact CE-OE1 3.12Å; K88-E138 HydrophobicContact CG-CG 3.8Å; K88-E138 IonicContact NZ-OE1 2.76Å; K88-E138 PolarHBondContact NZ-OE1 3.48Å; E138-K169 PolarHBondContact O-N 2.78Å; E138-I170 HydrophobicContact CB-CB 4.2Å; E138-I170 PolarHBondContact N-O 3.45Å; E138-I170 PolarHBondContact O-N 2.87Å; E138-I170 VanDerWaalsContact O-N 3.09Å
139G90.8Very high76.4Confident1 Ų142.6 Ų42.61%0.0123%0.226CC..EExtended strand (participates in β ladder)trans-177.2-170-173.300000114.2N86 V87 R167N86-G139 CarbonylContact C-O 3.53Å; N86-G139 WeakPolarHBondContact CA-O 3.43Å; N86-G139 PolarHBondContact N-O 3.37Å; V87-G139 PolarHBondContact N-O 2.91Å; V87-G139 PolarHBondContact O-N 2.75Å; G139-R167 WeakPolarHBondContact CA-O 3.33Å
140D88.9Confident74.2Confident17 Ų1747.8 Ų47.89%0.09126%0.259CS..EExtended strand (participates in β ladder)trans-115.5140.8174.5-61.9-30.7000109.4V82 K85 N86 Y142 R167 K169V82-D140 HydrophobicContact CG1-CB 4.21Å; K85-D140 VanDerWaalsContact CA-OD1 3.29Å; K85-D140 WeakPolarHBondContact CA-OD1 3.29Å; N86-D140 PolarHBondContact N-OD1 2.85Å; D140-Y142 HydrophobicContact CB-CD2 4.43Å; D140-Y142 HydrophobicContact CB-CE2 3.62Å; D140-Y142 WeakPolarHBondContact O-CD2 3.19Å; D140-Y142 WeakPolarHBondContact O-CE2 3.34Å; D140-R167 PolarHBondContact N-O 3.11Å; D140-R167 VanDerWaalsContact N-O 3.16Å; D140-R167 PolarHBondContact O-N 3.16Å; D140-K169 VanDerWaalsContact CG-CE 3.5Å; D140-K169 IonicContact OD1-NZ 3.04Å; D140-K169 PolarHBondContact OD1-NZ 2.82Å; D140-K169 WeakPolarHBondContact OD2-CE 3.31Å; D140-K169 IonicContact OD2-NZ 3.3Å; D140-K169 PolarHBondContact OD2-NZ 2.85Å
141I86.1Confident72.3Confident0 Ų045.9 Ų45.90%025%0.249CC..EExtended strand (participates in β ladder)trans-97.9125.8-178.9-61.7177.7000109.4L72 V82 I83 C84 V87 L116 E165 L166L72-I141 HydrophobicContact CD1-CD1 3.41Å; L72-I141 VanDerWaalsContact CD1-CD1 3.41Å; L72-I141 HydrophobicContact CD2-CD1 3.29Å; L72-I141 HydrophobicContact CD2-CG1 4.49Å; L72-I141 HydrophobicContact CD2-CG2 4.35Å; L72-I141 HydrophobicContact CG-CD1 3.96Å; V82-I141 CarbonylContact C-O 3.52Å; V82-I141 WeakPolarHBondContact CA-O 3.35Å; I83-I141 HydrophobicContact CB-CG2 4.29Å; I83-I141 HydrophobicContact CD1-CG2 4.21Å; I83-I141 PolarHBondContact N-O 2.68Å; C84-I141 HydrophobicContact CB-CB 4.49Å; C84-I141 PolarHBondContact N-O 3.35Å; C84-I141 PolarHBondContact O-N 3.39Å; V87-I141 HydrophobicContact CB-CD1 4.1Å; V87-I141 HydrophobicContact CB-CG1 4.4Å; V87-I141 HydrophobicContact CG1-CD1 3.95Å; V87-I141 HydrophobicContact CG2-CD1 3.92Å; V87-I141 HydrophobicContact CG2-CG1 4.26Å; L116-I141 HydrophobicContact CD2-CD1 4.19Å; I141-E165 CarbonylContact C-O 3.41Å; I141-E165 VanDerWaalsContact CA-O 3.28Å; I141-E165 WeakPolarHBondContact CA-O 3.42Å; I141-L166 HydrophobicContact CD1-CD1 4.13Å; I141-L166 HydrophobicContact CG1-CB 4.13Å; I141-L166 HydrophobicContact CG1-CD1 3.43Å; I141-L166 VanDerWaalsContact CG1-CD1 3.43Å; I141-L166 HydrophobicContact CG1-CG 4.39Å
142Y82.9Confident70.7Confident44 Ų4450.2 Ų50.217%0.17327%0.266CS..EExtended strand (participates in β ladder)trans-111.2143.5179.3-65.5-100.1000109.4V82 D140 G164 E165 R167V82-Y142 HydrophobicContact CG2-CD1 3.97Å; V82-Y142 HydrophobicContact CG2-CE1 3.39Å; D140-Y142 HydrophobicContact CB-CD2 4.43Å; D140-Y142 HydrophobicContact CB-CE2 3.62Å; D140-Y142 WeakPolarHBondContact O-CD2 3.19Å; D140-Y142 WeakPolarHBondContact O-CE2 3.34Å; Y142-G164 CarbonylContact O-C 3.55Å; Y142-G164 WeakPolarHBondContact O-CA 3.48Å; Y142-E165 PolarHBondContact N-O 3.05Å; Y142-E165 PolarHBondContact O-N 2.72Å; Y142-R167 HydrophobicContact CD2-CB 4.1Å; Y142-R167 HydrophobicContact CD2-CG 3.6Å; Y142-R167 HydrophobicContact CE2-CB 3.87Å; Y142-R167 VanDerWaalsContact CE2-CD 3.46Å; Y142-R167 HydrophobicContact CE2-CG 3.75Å
143H74.6Confident69.3Low38 Ų3849.4 Ų49.418%0.17626%0.257CS..EExtended strand (participates in β ladder)trans-69.1136.9168.2-175.9-83.4000110K81 I83 P145K81-H143 PolarHBondContact O-N 3.47Å; I83-H143 HydrophobicContact CD1-CB 3.81Å; I83-H143 HydrophobicContact CG1-CB 4.02Å; H143-P145 WeakPolarHBondContact O-CD 3.28Å
144I69.1Low67.9Low30 Ų3049.9 Ų49.915%0.15426%0.261CS..  trans-100.1112.9172-53.9168.2000108.7I147 Y163 E165I144-I147 HydrophobicContact CB-CD1 3.72Å; I144-I147 HydrophobicContact CB-CG1 4.17Å; I144-I147 HydrophobicContact CD1-CD1 3.43Å; I144-I147 VanDerWaalsContact CD1-CD1 3.43Å; I144-I147 HydrophobicContact CG1-CD1 4.19Å; I144-I147 HydrophobicContact CG2-CD1 3.67Å; I144-I147 HydrophobicContact CG2-CG1 3.78Å; I144-Y163 PolarHBondContact N-O 3.13Å; I144-E165 HydrophobicContact CD1-CB 3.77Å; I144-E165 HydrophobicContact CD1-CG 3.96Å; I144-E165 HydrophobicContact CG1-CB 4.08Å; I144-E165 HydrophobicContact CG1-CG 3.71Å
145P54.1Low66.3Low38 Ų3852.7 Ų52.725%0.24727%0.272CS..THydrogen-bonded Turntrans-60.4138.6172.5-19.131.9000111.2E79 H143E79-P145 HydrophobicContact CB-CG 3.96Å; E79-P145 HydrophobicContact CG-CB 4.09Å; E79-P145 HydrophobicContact CG-CG 3.95Å; H143-P145 WeakPolarHBondContact O-CD 3.28Å
146N52.6Low64.6Low140 Ų14058.9 Ų58.975%0.74931%0.305SS*.THydrogen-bonded Turntrans71.422.4168.1-63.1-30.9000119.6L148N146-L148 PolarHBondContact O-N 2.91Å
147I49.1Very low63.2Low33 Ų3364.8 Ų64.817%0.16933%0.331CS..G310 helixtrans-68.9-12.2169-73.4-179000113.6I144 K149I144-I147 HydrophobicContact CB-CD1 3.72Å; I144-I147 HydrophobicContact CB-CG1 4.17Å; I144-I147 HydrophobicContact CD1-CD1 3.43Å; I144-I147 VanDerWaalsContact CD1-CD1 3.43Å; I144-I147 HydrophobicContact CG1-CD1 4.19Å; I144-I147 HydrophobicContact CG2-CD1 3.67Å; I144-I147 HydrophobicContact CG2-CG1 3.78Å; I147-K149 PolarHBondContact O-N 3Å
148L39.8Very low61.6Low124 Ų12464.9 Ų64.965%0.64933%0.331SS*.G310 helixtrans-57.92.1-179-81.4167.9000116.3N146 Y163N146-L148 PolarHBondContact O-N 2.91Å; L148-Y163 HydrophobicContact CD2-CE1 3.94Å; L148-Y163 HydrophobicContact CG-CE1 4.31Å
149K40.8Very low60.1Low183 Ų18362.5 Ų62.580%0.79632%0.321SS*.G310 helixtrans-121.1-8-176.9-72.3-172.5176.1-178.70118I147I147-K149 PolarHBondContact O-N 3Å
150T36.9Very low58.9Low119 Ų11963 Ų6373%0.7332%0.324SS*.SBendtrans-141.538.2-172.351.80000116.5
151S44.7Very low58Low38 Ų3864.4 Ų64.427%0.26633%0.33SS..  trans-11358.3154.663.50000110L153 K407S151-L153 PolarHBondContact O-N 3.28Å; S151-K407 PolarHBondContact O-NZ 2.85Å
152Q50.7Low57.2Low129 Ų12964.6 Ų64.660%0.60333%0.331SS*.  trans-60.5109.8154.2-72.7179.7-7.400105.7S154Q152-S154 PolarHBondContact O-N 3.3Å
153L53.7Low56.5Low2 Ų265.8 Ų65.81%0.0134%0.336CS..  trans-61.4109.8171.1-164.583.1000105.4S151 V160 L390 L391 T394 K407S151-L153 PolarHBondContact O-N 3.28Å; L153-V160 HydrophobicContact CD1-CG2 4.41Å; L153-L390 HydrophobicContact CB-CD2 4.28Å; L153-L390 HydrophobicContact CD2-CB 4.47Å; L153-L390 HydrophobicContact CD2-CD2 3.72Å; L153-L390 HydrophobicContact CD2-CG 3.59Å; L153-L391 HydrophobicContact CD1-CD2 3.76Å; L153-L391 HydrophobicContact CD2-CD2 4.11Å; L153-T394 VanDerWaalsContact CD2-OG1 3.3Å; L153-T394 WeakPolarHBondContact CD2-OG1 3.04Å; L153-K407 HydrophobicContact CB-CB 4.1Å; L153-K407 HydrophobicContact CB-CD 4.08Å; L153-K407 HydrophobicContact CB-CG 4.17Å; L153-K407 WeakPolarHBondContact O-CB 3.46Å; L153-K407 PolarHBondContact O-N 3.11Å
154S56.5Low56.6Low23 Ų2364.2 Ų64.216%0.16133%0.33CS..BIsolated β-bridgetrans-118.3163.9172.469.60000108.4Q152 D156 K157Q152-S154 PolarHBondContact O-N 3.3Å; S154-D156 PolarHBondContact O-N 3.38Å; S154-D156 VanDerWaalsContact O-N 3.16Å; S154-D156 PolarHBondContact OG-N 2.81Å; S154-K157 PolarHBondContact N-O 2.81Å; S154-K157 CarbonylContact O-C 3.55Å; S154-K157 PolarHBondContact O-N 2.79Å; S154-K157 PolarHBondContact OG-N 3.26Å; S154-K157 VanDerWaalsContact OG-N 3.1Å
155I56.4Low57.4Low78 Ų7864.1 Ų64.140%0.433%0.329SS..THydrogen-bonded Turntrans-52.2-36172.6-66.9165.9000110.4T394 F395I155-T394 HydrophobicContact CG1-CG2 4.39Å; I155-F395 HydrophobicContact CG2-CE1 4.46Å
156D53.7Low59.1Low130 Ų13062.3 Ų62.370%0.69532%0.317SS*.THydrogen-bonded Turntrans-81.5-19.5178.9-51.1-41.3000114.4S154S154-D156 PolarHBondContact O-N 3.38Å; S154-D156 VanDerWaalsContact O-N 3.16Å; S154-D156 PolarHBondContact OG-N 2.81Å
157K61.9Low60.9Low129 Ų12960.7 Ų60.756%0.56130%0.301SS*.BIsolated β-bridgetrans-134.476.4-179.2-68.8-176.6-176.81740110.1S154 T159S154-K157 PolarHBondContact N-O 2.81Å; S154-K157 CarbonylContact O-C 3.55Å; S154-K157 PolarHBondContact O-N 2.79Å; S154-K157 PolarHBondContact OG-N 3.26Å; S154-K157 VanDerWaalsContact OG-N 3.1Å; K157-T159 PolarHBondContact O-N 2.82Å
158P57.6Low62.9Low2 Ų260 Ų601%0.01330%0.299CS..  trans-79.227.1-173.637.3-41.7000113R212 P235 L391 F395P158-R212 HydrophobicContact CG-CB 3.97Å; P158-R212 HydrophobicContact CG-CG 4.45Å; P158-P235 HydrophobicContact CB-CG 4.18Å; P158-P235 HydrophobicContact CG-CG 4.2Å; P158-L391 WeakPolarHBondContact O-CD2 3.26Å; P158-F395 HydrophobicContact CB-CE1 4.38Å; P158-F395 HydrophobicContact CB-CE2 3.44Å; P158-F395 VanDerWaalsContact CB-CE2 3.44Å; P158-F395 HydrophobicContact CB-CZ 3.36Å
159T60.5Low65.3Low14 Ų1458.8 Ų58.89%0.08629%0.289CS..  trans-117.7133.8-164.4-35.50000112.2D115 K157 Q161D115-T159 HydrophobicContact CB-CG2 4.01Å; D115-T159 WeakPolarHBondContact OD2-CG2 3.29Å; K157-T159 PolarHBondContact O-N 2.82Å; T159-Q161 HydrophobicContact CG2-CG 4.45Å
160V66.5Low67.6Low13 Ų1354.4 Ų54.48%0.07927%0.273CS..EExtended strand (participates in β ladder)trans-100.6118.8164.7-163.50000106.6Y114 D115 L153 N387Y114-V160 VanDerWaalsContact CA-O 3.3Å; Y114-V160 WeakPolarHBondContact CA-O 3.36Å; Y114-V160 HydrophobicContact CD1-CB 3.91Å; Y114-V160 HydrophobicContact CD1-CG1 3.5Å; Y114-V160 HydrophobicContact CE1-CB 4.23Å; Y114-V160 HydrophobicContact CE1-CG1 3.45Å; Y114-V160 VanDerWaalsContact CE1-CG1 3.45Å; D115-V160 PolarHBondContact N-O 2.79Å; D115-V160 VanDerWaalsContact N-O 3.09Å; L153-V160 HydrophobicContact CD1-CG2 4.41Å; V160-N387 HydrophobicContact CG2-CB 4.08Å
161Q69.1Low70.1Confident45 Ų4550 Ų5021%0.2125%0.246CC..EExtended strand (participates in β ladder)trans-96.8144.7-179.8-71.7-166.3-46.700110.4N106 T159N106-Q161 PolarHBondContact ND2-NE2 3.27Å; N106-Q161 PolarHBondContact OD1-NE2 2.61Å; T159-Q161 HydrophobicContact CG2-CG 4.45Å
162C70.7Confident72.2Confident5 Ų550.4 Ų50.43%0.03425%0.249CC..EExtended strand (participates in β ladder)trans-62.2155.4166.2-62.40000111.2I69 Y114 D115 L116 G164I69-C162 WeakPolarHBondContact CG2-SG 3.44Å; Y114-C162 VanDerWaalsContact CB-SG 3.56Å; D115-C162 PolarHBondContact O-N 2.78Å; D115-C162 VanDerWaalsContact O-N 3.12Å; L116-C162 HydrophobicContact CD1-CB 3.96Å; C162-G164 PolarHBondContact O-N 3.06Å; C162-G164 VanDerWaalsContact O-N 3.11Å
163Y66.9Low74Confident69 Ų6946.2 Ų46.227%0.27123%0.23SC..EExtended strand (participates in β ladder)trans-67.8-5176.1-65.2-69.1000115.1D73 I144 L148 E381D73-Y163 WeakPolarHBondContact OD1-CD2 3.41Å; D73-Y163 WeakPolarHBondContact OD1-CE2 3.3Å; I144-Y163 PolarHBondContact N-O 3.13Å; L148-Y163 HydrophobicContact CD2-CE1 3.94Å; L148-Y163 HydrophobicContact CG-CE1 4.31Å; Y163-E381 PolarHBondContact OH-OE1 3.39Å; Y163-E381 PolarHBondContact OH-OE2 3.14Å
164G77.6Confident75.4Confident5 Ų550 Ų505%0.05225%0.25CC..EExtended strand (participates in β ladder)trans-123.3163.4-175.200000114.2L116 Y142 C162L116-G164 WeakPolarHBondContact CD1-O 3.49Å; Y142-G164 CarbonylContact O-C 3.55Å; Y142-G164 WeakPolarHBondContact O-CA 3.48Å; C162-G164 PolarHBondContact O-N 3.06Å; C162-G164 VanDerWaalsContact O-N 3.11Å
165E86.7Confident76.1Confident27 Ų2752.3 Ų52.313%0.12626%0.261CS..EExtended strand (participates in β ladder)trans-115.3142.1165.552.1-178-145.100110.9Q117 V119 I141 Y142 I144 R167Q117-E165 HydrophobicContact CB-CB 4.48Å; Q117-E165 PolarHBondContact NE2-OE2 3.36Å; Q117-E165 CarbonylContact O-C 3.56Å; Q117-E165 VanDerWaalsContact O-CA 3.22Å; Q117-E165 WeakPolarHBondContact O-CA 3.26Å; V119-E165 HydrophobicContact CG2-CB 4.07Å; V119-E165 HydrophobicContact CG2-CG 4.37Å; V119-E165 WeakPolarHBondContact CG2-OE2 3.4Å; I141-E165 CarbonylContact C-O 3.41Å; I141-E165 VanDerWaalsContact CA-O 3.28Å; I141-E165 WeakPolarHBondContact CA-O 3.42Å; Y142-E165 PolarHBondContact N-O 3.05Å; Y142-E165 PolarHBondContact O-N 2.72Å; I144-E165 HydrophobicContact CD1-CB 3.77Å; I144-E165 HydrophobicContact CD1-CG 3.96Å; I144-E165 HydrophobicContact CG1-CB 4.08Å; I144-E165 HydrophobicContact CG1-CG 3.71Å; E165-R167 IonicContact OE1-CZ 3.69Å; E165-R167 IonicContact OE1-NE 3.1Å; E165-R167 PolarHBondContact OE1-NE 3.47Å; E165-R167 VanDerWaalsContact OE1-NE 3.1Å; E165-R167 IonicContact OE1-NH2 3.34Å; E165-R167 PolarHBondContact OE1-NH2 3.14Å
166L89.8Confident76Confident0 Ų053.6 Ų53.60%027%0.272CS..EExtended strand (participates in β ladder)trans-89.3116.3166179.672.1000108.9V87 L89 L116 Q117 V118 V119 V137 I141 A168V87-L166 HydrophobicContact CB-CD1 4.34Å; L89-L166 HydrophobicContact CB-CD2 4.17Å; L89-L166 HydrophobicContact CD2-CD2 4.24Å; L116-L166 HydrophobicContact CD2-CB 3.83Å; L116-L166 HydrophobicContact CD2-CD2 4.46Å; L116-L166 HydrophobicContact CG-CB 4.39Å; Q117-L166 PolarHBondContact O-N 2.85Å; V118-L166 CarbonylContact C-O 3.34Å; V118-L166 VanDerWaalsContact CA-O 3.29Å; V118-L166 WeakPolarHBondContact CA-O 3.49Å; V118-L166 HydrophobicContact CG1-CD2 4.3Å; V118-L166 HydrophobicContact CG2-CB 4.17Å; V118-L166 HydrophobicContact CG2-CD2 4.03Å; V119-L166 PolarHBondContact N-O 3.02Å; V137-L166 HydrophobicContact CB-CD2 3.86Å; V137-L166 HydrophobicContact CG1-CD2 3.47Å; V137-L166 VanDerWaalsContact CG1-CD2 3.47Å; V137-L166 HydrophobicContact CG1-CG 4.28Å; I141-L166 HydrophobicContact CD1-CD1 4.13Å; I141-L166 HydrophobicContact CG1-CB 4.13Å; I141-L166 HydrophobicContact CG1-CD1 3.43Å; I141-L166 VanDerWaalsContact CG1-CD1 3.43Å; I141-L166 HydrophobicContact CG1-CG 4.39Å; L166-A168 PolarHBondContact O-N 2.74Å
167R90.2Very high76.1Confident107 Ų10755.5 Ų55.540%0.40428%0.277SS..EExtended strand (participates in β ladder)trans-84.3109.9168-63.7-172.8-173.5170.5-0.2108.6V119 G139 D140 Y142 E165V119-R167 HydrophobicContact CB-CG 4.46Å; G139-R167 WeakPolarHBondContact CA-O 3.33Å; D140-R167 PolarHBondContact N-O 3.11Å; D140-R167 VanDerWaalsContact N-O 3.16Å; D140-R167 PolarHBondContact O-N 3.16Å; Y142-R167 HydrophobicContact CD2-CB 4.1Å; Y142-R167 HydrophobicContact CD2-CG 3.6Å; Y142-R167 HydrophobicContact CE2-CB 3.87Å; Y142-R167 VanDerWaalsContact CE2-CD 3.46Å; Y142-R167 HydrophobicContact CE2-CG 3.75Å; E165-R167 IonicContact OE1-CZ 3.69Å; E165-R167 IonicContact OE1-NE 3.1Å; E165-R167 PolarHBondContact OE1-NE 3.47Å; E165-R167 VanDerWaalsContact OE1-NE 3.1Å; E165-R167 IonicContact OE1-NH2 3.34Å; E165-R167 PolarHBondContact OE1-NH2 3.14Å
168A91.2Very high75.1Confident17 Ų1755.4 Ų55.414%0.1428%0.283CS..EExtended strand (participates in β ladder)trans-69.4132.1-177.100000110.9V118 V119 I120 V137 L166 V171V118-A168 HydrophobicContact CG1-CB 4.03Å; V119-A168 PolarHBondContact O-N 3.05Å; I120-A168 HydrophobicContact CG1-CB 4.04Å; V137-A168 HydrophobicContact CG1-CB 3.53Å; L166-A168 PolarHBondContact O-N 2.74Å; A168-V171 HydrophobicContact CB-CG2 3.58Å
169K90.1Very high74.2Confident100 Ų10061 Ų6144%0.43531%0.309SS..EExtended strand (participates in β ladder)trans-100-35.7167.1-65.9173.8-176.4166.20111.2N86 E138 D140N86-K169 PolarHBondContact OD1-NZ 3.49Å; N86-K169 VanDerWaalsContact OD1-NZ 3.08Å; E138-K169 PolarHBondContact O-N 2.78Å; D140-K169 VanDerWaalsContact CG-CE 3.5Å; D140-K169 IonicContact OD1-NZ 3.04Å; D140-K169 PolarHBondContact OD1-NZ 2.82Å; D140-K169 WeakPolarHBondContact OD2-CE 3.31Å; D140-K169 IonicContact OD2-NZ 3.3Å; D140-K169 PolarHBondContact OD2-NZ 2.85Å
170I88.8Confident72.7Confident91 Ų9168.4 Ų68.447%0.46735%0.347SS..EExtended strand (participates in β ladder)trans-136.4131.3178.5-56.8171.2000107.3V137 E138V137-I170 WeakPolarHBondContact CA-O 3.47Å; E138-I170 HydrophobicContact CB-CB 4.2Å; E138-I170 PolarHBondContact N-O 3.45Å; E138-I170 PolarHBondContact O-N 2.87Å; E138-I170 VanDerWaalsContact O-N 3.09Å
171V89.5Confident70.9Confident26 Ų2671 Ų7116%0.15838%0.376CS..EExtended strand (participates in β ladder)trans-125.1124.2173.5-176.60000108.6I120 I129 L135 V137 A168I120-V171 HydrophobicContact CD1-CG1 4.38Å; I120-V171 HydrophobicContact CD1-CG2 4.03Å; I120-V171 HydrophobicContact CG1-CG2 4.09Å; I120-V171 HydrophobicContact CG2-CG2 3.91Å; I129-V171 HydrophobicContact CD1-CG1 3.88Å; L135-V171 HydrophobicContact CD1-CG1 4.36Å; L135-V171 HydrophobicContact CD2-CG1 4.33Å; V137-V171 HydrophobicContact CG1-CG2 4.31Å; V137-V171 HydrophobicContact CG2-CG1 4.41Å; A168-V171 HydrophobicContact CB-CG2 3.58Å
172S88.7Confident69Low46 Ų4677.6 Ų77.632%0.32241%0.407SS..EExtended strand (participates in β ladder)trans-124.2133.5172.156.30000110.9L135 S136L135-S172 WeakPolarHBondContact CA-O 3.44Å; S136-S172 WeakPolarHBondContact CB-OG 3.27Å; S136-S172 PolarHBondContact N-O 3.44Å; S136-S172 PolarHBondContact O-N 2.83Å; S136-S172 PolarHBondContact O-OG 2.74Å
173I87.4Confident66.9Low42 Ų4285.5 Ų85.522%0.21545%0.448CS..EExtended strand (participates in β ladder)trans-78.9123.7168.8-60.8170.3000106.8T126 K128 I129 L135 D175T126-I173 WeakPolarHBondContact OG1-CD1 3.09Å; K128-I173 HydrophobicContact CB-CD1 3.46Å; K128-I173 VanDerWaalsContact CB-CD1 3.46Å; I129-I173 HydrophobicContact CG1-CD1 3.88Å; I129-I173 HydrophobicContact CG1-CG1 4.08Å; L135-I173 HydrophobicContact CD2-CB 4.31Å; L135-I173 HydrophobicContact CD2-CG1 3.64Å; I173-D175 HydrophobicContact CG2-CB 4.11Å; I173-D175 WeakPolarHBondContact CG2-O 3.34Å
174L84.3Confident64.9Low80 Ų8090.4 Ų90.442%0.41947%0.473SS..SBendtrans-82.5-21.4179-64-179.9000112.5I90 A134 T176I90-L174 HydrophobicContact CD1-CD1 4.48Å; I90-L174 HydrophobicContact CG1-CD1 4.47Å; I90-L174 HydrophobicContact CG2-CD1 3.52Å; A134-L174 HydrophobicContact CB-CB 4.13Å; A134-L174 PolarHBondContact O-N 2.99Å; L174-T176 PolarHBondContact O-N 3.14Å
175D70.8Confident62.8Low73 Ų7395.7 Ų95.739%0.3951%0.507SS..  trans-7997.3174.7-170.2-3.4000110.1I173I173-D175 HydrophobicContact CG2-CB 4.11Å; I173-D175 WeakPolarHBondContact CG2-O 3.34Å
176T55Low59.9Low104 Ų104103 Ų10364%0.63854%0.541SS*.  trans-92.6-6.4-175.845.80000114.5L174 N178 Q179L174-T176 PolarHBondContact O-N 3.14Å; T176-N178 VanDerWaalsContact C-N 3.3Å; T176-N178 PolarHBondContact O-N 3.44Å; T176-Q179 WeakPolarHBondContact O-CB 3.05Å; T176-Q179 PolarHBondContact O-N 2.79Å
177E54.2Low56.9Low171 Ų171112.6 Ų112.680%0.79958%0.583SS**G310 helixtrans-73.2-21.7-178.2-78-171.1165.300113.1Q179E177-Q179 PolarHBondContact O-N 2.9Å
178N42.2Very low53.9Low127 Ų127112.7 Ų112.768%0.67960%0.6SS**G310 helixtrans-75.220.6169.2-75-37.6000114T176T176-N178 VanDerWaalsContact C-N 3.3Å; T176-N178 PolarHBondContact O-N 3.44Å
179Q37.9Very low51Low120 Ų120119.8 Ų119.856%0.56163%0.634SS**G310 helixtrans-118.4-3.1177.5-69.5-98.411.300115.1K128 T176 E177K128-Q179 VanDerWaalsContact NZ-OE1 3.1Å; T176-Q179 WeakPolarHBondContact O-CB 3.05Å; T176-Q179 PolarHBondContact O-N 2.79Å; E177-Q179 PolarHBondContact O-N 2.9Å
180L28.3Very low48.1Very low169 Ų169121.5 Ų121.589%0.88565%0.648SS**SBendtrans-155.8123.6174.8-100.8123.6000113.8
181G30.3Very low45.2Very low68 Ų68123 Ų12370%0.70167%0.666SS**  trans109.8105.3156.900000114.2L183G181-L183 PolarHBondContact O-N 2.79Å; G181-L183 VanDerWaalsContact O-N 3.1Å
182E27.3Very low42.5Very low183 Ų183126 Ų12686%0.85569%0.694SS**  trans-41.4118.3152.9-67.8171.4153.600108.8Q184E182-Q184 PolarHBondContact O-N 3.3Å
183L27.9Very low39.5Very low171 Ų171129.2 Ų129.290%0.89572%0.716SS**  trans-6093.9166.5-79.4158.3000107.1G181 P185G181-L183 PolarHBondContact O-N 2.79Å; G181-L183 VanDerWaalsContact O-N 3.1Å; L183-P185 WeakPolarHBondContact O-CD 3.37Å
184Q24.2Very low36.6Very low171 Ų171135 Ų13580%0.79975%0.747SS**  trans-64.6123.4163.1-72.7-156.24.800107.5E182 E186E182-Q184 PolarHBondContact O-N 3.3Å; Q184-E186 PolarHBondContact O-N 3.4Å
185P33.3Very low34.1Very low117 Ų117135.6 Ų135.676%0.7676%0.755SS**  trans-71.3133.9179.325.5-25.2000109.7L183L183-P185 WeakPolarHBondContact O-CD 3.37Å
186E26.2Very low32.1Very low181 Ų181140.3 Ų140.385%0.84677%0.773SS**  trans7397.6160.2-52.4-158.1178.600118.7Q184Q184-E186 PolarHBondContact O-N 3.4Å
187K26.4Very low30.7Very low201 Ų201143.6 Ų143.687%0.87479%0.786SS**  trans-116.1103.9131.5-83-176.7177.9176.10108.6I189K187-I189 PolarHBondContact O-N 2.89Å; K187-I189 VanDerWaalsContact O-N 3.09Å
188S27.3Very low29.5Very low109 Ų109142.6 Ų142.676%0.76278%0.781SS**  trans-32105.6166.4540000112.8
189I30.8Very low28.7Very low165 Ų165141.9 Ų141.985%0.84679%0.786SS**  trans-92.5109.1159.6-62.7179.5000106.4K187K187-I189 PolarHBondContact O-N 2.89Å; K187-I189 VanDerWaalsContact O-N 3.09Å
190N28.8Very low28.2Very low137 Ų137141 Ų14173%0.73379%0.789SS**  trans-16.1120.6171.6-65-30.1000115.8A192N190-A192 PolarHBondContact O-N 3.23Å
191S28.5Very low28.1Very low121 Ų121136.8 Ų136.885%0.84677%0.772SS**  trans-14.281.7148.957.80000115.8
192A31.7Very low28Very low90 Ų90139.4 Ų139.474%0.74477%0.774SS**  trans-107.194.3139.900000104.5N190 L194N190-A192 PolarHBondContact O-N 3.23Å; A192-L194 PolarHBondContact O-N 3.45Å
193S26.4Very low28.2Very low113 Ų113134.4 Ų134.479%0.7975%0.753SS**  trans-49.999.5-178.546.90000111.3P195S193-P195 WeakPolarHBondContact O-CD 3.37Å
194L27.7Very low28.2Very low165 Ų165130.9 Ų130.986%0.86474%0.735SS**  trans-65.7115.2150.5-83.9156.4000105.8A192A192-L194 PolarHBondContact O-N 3.45Å
195P30.2Very low28.6Very low91 Ų91130 Ų13059%0.59173%0.73SS**SBendtrans-67.6151.6172.430.8-29.9000107.4S193S193-P195 WeakPolarHBondContact O-CD 3.37Å
196F29.7Very low28.7Very low173 Ų173126.5 Ų126.576%0.75972%0.715SS**  trans88.672.9-180-45.1-69000115.5H198F196-H198 PolarHBondContact O-N 2.94Å
197N24.4Very low29.2Very low172 Ų172118.4 Ų118.492%0.9268%0.678SS**  trans-61.179.4143.9-96.3-14.7000109.1
198H30Very low29.9Very low150 Ų150112.1 Ų112.169%0.69466%0.659SS**  trans-87.8112.1149.5-84.1-60.2000106.5F196 V200F196-H198 PolarHBondContact O-N 2.94Å; H198-V200 VanDerWaalsContact C-N 3.34Å; H198-V200 PolarHBondContact O-N 3.3Å
199S25.2Very low30.6Very low112 Ų112109.7 Ų109.778%0.78364%0.642SS**  trans-45.5100.5164.324.10000108.6P201S199-P201 WeakPolarHBondContact O-CD 3.4Å; S199-P201 VanDerWaalsContact O-N 3.1Å
200V27.7Very low31.4Very low101 Ų101103 Ų10361%0.61261%0.608SS**  trans-60.4108.5-176.8179.10000107.8H198 T202H198-V200 VanDerWaalsContact C-N 3.34Å; H198-V200 PolarHBondContact O-N 3.3Å; V200-T202 PolarHBondContact O-N 3.01Å
201P25.6Very low32.3Very low82 Ų8296.9 Ų96.953%0.53258%0.578SS.*  trans-63.8141.6167.7-9.226.3000106.6S199 I203S199-P201 WeakPolarHBondContact O-CD 3.4Å; S199-P201 VanDerWaalsContact O-N 3.1Å; P201-I203 HydrophobicContact CB-CD1 4.19Å; P201-I203 HydrophobicContact CB-CG1 4.21Å; P201-I203 HydrophobicContact CG-CD1 4.45Å; P201-I203 PolarHBondContact O-N 3.29Å
202T29.1Very low33.5Very low122 Ų12292.2 Ų92.275%0.74854%0.541SS*.SBendtrans-65.352.3-174.2-260000112.9V200V200-T202 PolarHBondContact O-N 3.01Å
203I30.3Very low34.4Very low79 Ų7992.4 Ų92.441%0.40553%0.527SS..  trans-83.6-18.4-179.2-63.6172000110.9P201 Q205 G206 I207P201-I203 HydrophobicContact CB-CD1 4.19Å; P201-I203 HydrophobicContact CB-CG1 4.21Å; P201-I203 HydrophobicContact CG-CD1 4.45Å; P201-I203 PolarHBondContact O-N 3.29Å; I203-Q205 PolarHBondContact O-N 3.43Å; I203-Q205 VanDerWaalsContact O-N 3.11Å; I203-G206 PolarHBondContact O-N 3.5Å; I203-I207 HydrophobicContact CG2-CD1 3.68Å; I203-I207 HydrophobicContact CG2-CG1 3.98Å; I203-I207 PolarHBondContact O-N 2.88Å
204N29.3Very low35.7Very low97 Ų9789 Ų8952%0.51950%0.503SS..Hα-helixtrans-58.9-27.2-179-75-13.9000113.9S208N204-S208 WeakPolarHBondContact O-CB 3.39Å; N204-S208 PolarHBondContact O-N 3.11Å; N204-S208 VanDerWaalsContact O-N 3.17Å; N204-S208 PolarHBondContact O-OG 2.94Å; N204-S208 VanDerWaalsContact O-OG 3.06Å
205Q32.5Very low37.3Very low152 Ų15287.1 Ų87.171%0.7150%0.5SS*.Hα-helixtrans-73.6-25.8175.8-70.1-172.8-6.800113.1I203 S209I203-Q205 PolarHBondContact O-N 3.43Å; I203-Q205 VanDerWaalsContact O-N 3.11Å; Q205-S209 PolarHBondContact O-OG 3.46Å
206G34.1Very low39.1Very low43 Ų4386.3 Ų86.344%0.44349%0.486SS..Hα-helixtrans-83.5-29.9175.800000113.6I203 S209I203-G206 PolarHBondContact O-N 3.5Å; G206-S209 PolarHBondContact O-OG 2.97Å
207I38.4Very low41.4Very low11 Ų1179.6 Ų79.66%0.05646%0.459CS..Hα-helixtrans-82.8-39.7-179-63.5176.7000111.7I203 S209 L210 E226 A227 M230I203-I207 HydrophobicContact CG2-CD1 3.68Å; I203-I207 HydrophobicContact CG2-CG1 3.98Å; I203-I207 PolarHBondContact O-N 2.88Å; I207-S209 PolarHBondContact O-N 2.88Å; I207-L210 HydrophobicContact CB-CD1 4.11Å; I207-L210 HydrophobicContact CG1-CD1 4.4Å; I207-L210 HydrophobicContact CG2-CD1 3.67Å; I207-L210 VanDerWaalsContact O-CB 3.31Å; I207-L210 WeakPolarHBondContact O-CB 3.48Å; I207-L210 VanDerWaalsContact O-CD1 3.3Å; I207-L210 WeakPolarHBondContact O-CD1 3.34Å; I207-L210 WeakPolarHBondContact O-CG 3.46Å; I207-L210 PolarHBondContact O-N 3.39Å; I207-L210 VanDerWaalsContact O-N 3.17Å; I207-E226 HydrophobicContact CD1-CB 4.12Å; I207-A227 HydrophobicContact CD1-CB 4.27Å; I207-M230 HydrophobicContact CG2-CB 3.8Å; I207-M230 HydrophobicContact CG2-CG 4.05Å
208S39.2Very low44.1Very low69 Ų6976.8 Ų76.848%0.48344%0.444SS..Hα-helixtrans-64.6-28176.464.50000112.5N204N204-S208 WeakPolarHBondContact O-CB 3.39Å; N204-S208 PolarHBondContact O-N 3.11Å; N204-S208 VanDerWaalsContact O-N 3.17Å; N204-S208 PolarHBondContact O-OG 2.94Å; N204-S208 VanDerWaalsContact O-OG 3.06Å
209S44Very low46.8Very low58 Ų5871.7 Ų71.741%0.40642%0.422SS..THydrogen-bonded Turntrans-9418.7176.563.80000114Q205 G206 I207 G211 S214Q205-S209 PolarHBondContact O-OG 3.46Å; G206-S209 PolarHBondContact O-OG 2.97Å; I207-S209 PolarHBondContact O-N 2.88Å; S209-G211 PolarHBondContact O-N 3.27Å; S209-S214 PolarHBondContact O-OG 2.66Å; S209-S214 VanDerWaalsContact O-OG 3.05Å
210L46.4Very low49.7Very low25 Ų2568.2 Ų68.213%0.13140%0.404CS..  trans-66.969.9169.8-70.7167.5000110.8I207 P217 L234I207-L210 HydrophobicContact CB-CD1 4.11Å; I207-L210 HydrophobicContact CG1-CD1 4.4Å; I207-L210 HydrophobicContact CG2-CD1 3.67Å; I207-L210 VanDerWaalsContact O-CB 3.31Å; I207-L210 WeakPolarHBondContact O-CB 3.48Å; I207-L210 VanDerWaalsContact O-CD1 3.3Å; I207-L210 WeakPolarHBondContact O-CD1 3.34Å; I207-L210 WeakPolarHBondContact O-CG 3.46Å; I207-L210 PolarHBondContact O-N 3.39Å; I207-L210 VanDerWaalsContact O-N 3.17Å; L210-P217 HydrophobicContact CD2-CG 3.51Å; L210-L234 HydrophobicContact CB-CD2 4.41Å
211G48.4Very low52.5Low9 Ų966.5 Ų66.59%0.09339%0.393CS..  trans-76.1153.6158.500000109.5Q94 S209 H213 S214Q94-G211 VanDerWaalsContact O-CA 3.26Å; Q94-G211 WeakPolarHBondContact O-CA 3.45Å; S209-G211 PolarHBondContact O-N 3.27Å; G211-H213 PolarHBondContact O-N 3.04Å; G211-S214 PolarHBondContact N-OG 3.3Å; G211-S214 PolarHBondContact O-N 3Å; G211-S214 PolarHBondContact O-OG 3.33Å
212R52.8Low55.5Low23 Ų2362.6 Ų62.69%0.08737%0.368CS..THydrogen-bonded Turntrans-61.3-2.7-178.1-66-178.2-170.4-160.213.6114.7Q94 D115 P158 P235Q94-R212 PolarHBondContact O-N 3.12Å; D115-R212 IonicContact OD1-CZ 3.14Å; D115-R212 IonicContact OD1-NE 3.94Å; D115-R212 IonicContact OD1-NH1 3.5Å; D115-R212 PolarHBondContact OD1-NH1 3.47Å; D115-R212 IonicContact OD1-NH2 3.67Å; D115-R212 PolarHBondContact OD1-NH2 3.16Å; D115-R212 IonicContact OD2-CZ 3.3Å; D115-R212 VanDerWaalsContact OD2-CZ 3.3Å; D115-R212 IonicContact OD2-NE 3.47Å; D115-R212 PolarHBondContact OD2-NE 3.38Å; D115-R212 IonicContact OD2-NH1 3.41Å; D115-R212 PolarHBondContact OD2-NH1 3.24Å; D115-R212 IonicContact OD2-NH2 2.67Å; P158-R212 HydrophobicContact CG-CB 3.97Å; P158-R212 HydrophobicContact CG-CG 4.45Å; R212-P235 HydrophobicContact CG-CG 3.91Å
213H50.7Low58.3Low93 Ų9359.7 Ų59.743%0.43134%0.343SS..THydrogen-bonded Turntrans-114.1-2.2178.6-60.4-48.3000114.4G211G211-H213 PolarHBondContact O-N 3.04Å
214S54.6Low60.9Low43 Ų4357.5 Ų57.530%0.30134%0.335SS..SBendtrans-76.3154.8169.235.40000110.4S209 G211 R216S209-S214 PolarHBondContact O-OG 2.66Å; S209-S214 VanDerWaalsContact O-OG 3.05Å; G211-S214 PolarHBondContact N-OG 3.3Å; G211-S214 PolarHBondContact O-N 3Å; G211-S214 PolarHBondContact O-OG 3.33Å; S214-R216 PolarHBondContact O-N 3.29Å; S214-R216 VanDerWaalsContact O-N 3.1Å
215P61.6Low63.3Low124 Ų12455.2 Ų55.281%0.80533%0.325SS*.PPolyproline II helixtrans-50.1121.6173-24.632.9000109.8
216R67Low65.5Low75 Ų7552 Ų5228%0.28331%0.309SS..PPolyproline II helixtrans-69.7128.5-174-177.6175.9-93.2-90.52.3109.4S214 E236S214-R216 PolarHBondContact O-N 3.29Å; S214-R216 VanDerWaalsContact O-N 3.1Å; R216-E236 IonicContact CZ-OE1 3.58Å; R216-E236 IonicContact CZ-OE2 3.32Å; R216-E236 VanDerWaalsContact CZ-OE2 3.32Å; R216-E236 IonicContact NH1-OE1 2.65Å; R216-E236 PolarHBondContact NH1-OE1 3.15Å; R216-E236 IonicContact NH1-OE2 3.1Å; R216-E236 PolarHBondContact NH1-OE2 3.16Å; R216-E236 VanDerWaalsContact NH1-OE2 3.1Å; R216-E236 IonicContact NH2-OE1 3.67Å; R216-E236 IonicContact NH2-OE2 2.68Å; R216-E236 PolarHBondContact NH2-OE2 3.05Å
217P77.5Confident67.9Low31 Ų3150 Ų5020%0.20129%0.289CS..PPolyproline II helixtrans-62.4149.7174.8-19.731.1000111L210 V221 L222L210-P217 HydrophobicContact CD2-CG 3.51Å; P217-V221 HydrophobicContact CB-CB 4.12Å; P217-V221 HydrophobicContact CB-CG1 4.1Å; P217-L222 HydrophobicContact CB-CD2 3.97Å; P217-L222 HydrophobicContact CB-CG 4.12Å; P217-L222 HydrophobicContact CG-CD2 4.02Å
218D82.8Confident70.2Confident114 Ų11449.9 Ų49.961%0.6129%0.289SS*.PPolyproline II helixtrans-56.7146.3171-174.296.2000110.7G220 V221 L222D218-G220 PolarHBondContact O-N 3.04Å; D218-G220 VanDerWaalsContact O-N 3.14Å; D218-G220 WeakPolarHBondContact OD2-CA 3.42Å; D218-G220 PolarHBondContact OD2-N 2.97Å; D218-V221 HydrophobicContact CB-CG2 4.35Å; D218-V221 WeakPolarHBondContact O-CA 3.26Å; D218-V221 WeakPolarHBondContact O-CB 3.22Å; D218-V221 PolarHBondContact O-N 3.09Å; D218-L222 PolarHBondContact O-N 3.3Å
219L86Confident72.4Confident43 Ų4348.7 Ų48.723%0.22528%0.28CS..Hα-helixtrans-58.5-28.4178.9-67.2175.4000112.7L222 R223 L396L219-L222 HydrophobicContact CD2-CD1 4.3Å; L219-L222 PolarHBondContact O-N 3.06Å; L219-R223 VanDerWaalsContact C-NH1 3.29Å; L219-R223 WeakPolarHBondContact O-CG 3.33Å; L219-R223 PolarHBondContact O-N 3.17Å; L219-R223 VanDerWaalsContact O-N 3.17Å; L219-R223 PolarHBondContact O-NH1 3.04Å; L219-L396 HydrophobicContact CD2-CD2 3.81Å
220G86.4Confident74.3Confident39 Ų3947.9 Ų47.940%0.40227%0.271SS..Hα-helixtrans-61.8-42.117100000112.7D218 R223 S224D218-G220 PolarHBondContact O-N 3.04Å; D218-G220 VanDerWaalsContact O-N 3.14Å; D218-G220 WeakPolarHBondContact OD2-CA 3.42Å; D218-G220 PolarHBondContact OD2-N 2.97Å; G220-R223 PolarHBondContact O-N 3.22Å; G220-S224 PolarHBondContact O-N 3.26Å
221V86.6Confident76.4Confident64 Ų6446.9 Ų46.939%0.38827%0.265SS..Hα-helixtrans-67.1-41.2173.6178.80000110.2P217 D218 R223 S224 A227P217-V221 HydrophobicContact CB-CB 4.12Å; P217-V221 HydrophobicContact CB-CG1 4.1Å; D218-V221 HydrophobicContact CB-CG2 4.35Å; D218-V221 WeakPolarHBondContact O-CA 3.26Å; D218-V221 WeakPolarHBondContact O-CB 3.22Å; D218-V221 PolarHBondContact O-N 3.09Å; V221-R223 PolarHBondContact O-N 3.39Å; V221-R223 VanDerWaalsContact O-N 3.12Å; V221-S224 WeakPolarHBondContact O-CB 3.38Å; V221-S224 PolarHBondContact O-N 2.82Å; V221-S224 PolarHBondContact O-OG 2.81Å; V221-A227 WeakPolarHBondContact O-CB 3.28Å
222L88.2Confident78.2Confident1 Ų150.4 Ų50.41%0.00528%0.279CS..Hα-helixtrans-66.4-13.7177.9-62.1176.5000113.8P217 D218 L219 A227 R231 L234 F237P217-L222 HydrophobicContact CB-CD2 3.97Å; P217-L222 HydrophobicContact CB-CG 4.12Å; P217-L222 HydrophobicContact CG-CD2 4.02Å; D218-L222 PolarHBondContact O-N 3.3Å; L219-L222 HydrophobicContact CD2-CD1 4.3Å; L219-L222 PolarHBondContact O-N 3.06Å; L222-A227 HydrophobicContact CD2-CB 4.36Å; L222-R231 HydrophobicContact CD2-CB 4.47Å; L222-R231 WeakPolarHBondContact O-CD 3.47Å; L222-L234 HydrophobicContact CD1-CD1 3.64Å; L222-L234 HydrophobicContact CD2-CD1 3.71Å; L222-L234 HydrophobicContact CG-CD1 4.35Å; L222-F237 HydrophobicContact CB-CE2 4.25Å; L222-F237 HydrophobicContact CD1-CE2 3.89Å
223R87Confident79.8Confident60 Ų6054 Ų5423%0.22629%0.292CS..THydrogen-bonded Turntrans-96.91.6172-64.7170.1-158.2123.1-9.3112.6L219 G220 V221 N570 D573L219-R223 VanDerWaalsContact C-NH1 3.29Å; L219-R223 WeakPolarHBondContact O-CG 3.33Å; L219-R223 PolarHBondContact O-N 3.17Å; L219-R223 VanDerWaalsContact O-N 3.17Å; L219-R223 PolarHBondContact O-NH1 3.04Å; G220-R223 PolarHBondContact O-N 3.22Å; V221-R223 PolarHBondContact O-N 3.39Å; V221-R223 VanDerWaalsContact O-N 3.12Å; R223-N570 PolarHBondContact NH2-ND2 2.88Å; R223-D573 IonicContact CZ-OD1 2.74Å; R223-D573 IonicContact CZ-OD2 2.75Å; R223-D573 IonicContact NE-OD1 3.41Å; R223-D573 PolarHBondContact NE-OD1 3.28Å; R223-D573 IonicContact NE-OD2 2.85Å; R223-D573 PolarHBondContact NE-OD2 2.99Å; R223-D573 IonicContact NH2-OD1 3.37Å; R223-D573 IonicContact NH2-OD2 2.75Å; R223-D573 PolarHBondContact NH2-OD2 3.41Å
224S84.8Confident81.5Confident33 Ų3349.9 Ų49.923%0.23127%0.274CS..SBendtrans-79.1156.7174.692.20000111.1G220 V221 E226 A227 L228G220-S224 PolarHBondContact O-N 3.26Å; V221-S224 WeakPolarHBondContact O-CB 3.38Å; V221-S224 PolarHBondContact O-N 2.82Å; V221-S224 PolarHBondContact O-OG 2.81Å; S224-E226 WeakPolarHBondContact CB-OE2 3.45Å; S224-E226 PolarHBondContact O-N 2.59Å; S224-E226 PolarHBondContact OG-OE2 3.07Å; S224-A227 PolarHBondContact O-N 3.25Å; S224-A227 VanDerWaalsContact O-N 3.09Å; S224-L228 WeakPolarHBondContact O-CG 3.43Å; S224-L228 PolarHBondContact O-N 2.99Å
225V79.6Confident83Confident50 Ų5048 Ų4830%0.30326%0.261SS..Hα-helixtrans-49.3-46.7179.7176.50000112.1A227 L228 I585V225-A227 PolarHBondContact O-N 2.88Å; V225-L228 PolarHBondContact O-N 3.37Å; V225-I585 HydrophobicContact CB-CB 4.43Å; V225-I585 HydrophobicContact CB-CG2 3.92Å; V225-I585 HydrophobicContact CG1-CB 4.17Å; V225-I585 HydrophobicContact CG1-CG2 3.23Å; V225-I585 HydrophobicContact CG2-CB 3.64Å; V225-I585 HydrophobicContact CG2-CD1 3.13Å; V225-I585 HydrophobicContact CG2-CG1 3.87Å; V225-I585 HydrophobicContact CG2-CG2 3.46Å; V225-I585 VanDerWaalsContact CG2-CG2 3.46Å
226E79Confident84.3Confident83 Ų8342.1 Ų42.139%0.38822%0.222SC..Hα-helixtrans-66.2-32.6-173.2-56.374.4-159.300110.8I207 S224I207-E226 HydrophobicContact CD1-CB 4.12Å; S224-E226 WeakPolarHBondContact CB-OE2 3.45Å; S224-E226 PolarHBondContact O-N 2.59Å; S224-E226 PolarHBondContact OG-OE2 3.07Å
227A85.1Confident85.6Confident2 Ų238.7 Ų38.72%0.01721%0.209CC..Hα-helixtrans-90.7-26.4-179.600000113.6I207 V221 L222 S224 V225 S229 M230 R231I207-A227 HydrophobicContact CD1-CB 4.27Å; V221-A227 WeakPolarHBondContact O-CB 3.28Å; L222-A227 HydrophobicContact CD2-CB 4.36Å; S224-A227 PolarHBondContact O-N 3.25Å; S224-A227 VanDerWaalsContact O-N 3.09Å; V225-A227 PolarHBondContact O-N 2.88Å; A227-S229 VanDerWaalsContact C-N 3.26Å; A227-S229 PolarHBondContact O-N 3.13Å; A227-M230 CarbonylContact O-C 3.6Å; A227-M230 PolarHBondContact O-N 2.94Å; A227-R231 WeakPolarHBondContact O-CB 3.22Å; A227-R231 PolarHBondContact O-N 2.71Å
228L87.6Confident86.3Confident9 Ų937.8 Ų37.85%0.04721%0.206CC..Hα-helixtrans-56.6-38.3-175.7-78.6-176.2000112.9S224 V225 M230 F577 P578S224-L228 WeakPolarHBondContact O-CG 3.43Å; S224-L228 PolarHBondContact O-N 2.99Å; V225-L228 PolarHBondContact O-N 3.37Å; L228-M230 PolarHBondContact O-N 3.09Å; L228-F577 HydrophobicContact CB-CD1 4.3Å; L228-F577 WeakPolarHBondContact O-CE1 3.24Å; L228-P578 HydrophobicContact CD2-CG 4.17Å
229S84.4Confident86.8Confident44 Ų4432.3 Ų32.331%0.30818%0.177SC..THydrogen-bonded Turntrans-66.3-16.7178.161.90000113.7A227 H232A227-S229 VanDerWaalsContact C-N 3.26Å; A227-S229 PolarHBondContact O-N 3.13Å; S229-H232 PolarHBondContact O-CE1 3.21Å
230M84.5Confident87.3Confident41 Ų4130.3 Ų30.320%0.20217%0.166CC..THydrogen-bonded Turntrans-126.2-20.9-169.9-66.3-65.4-77.900114.3I207 A227 L228 H232 R233I207-M230 HydrophobicContact CG2-CB 3.8Å; I207-M230 HydrophobicContact CG2-CG 4.05Å; A227-M230 CarbonylContact O-C 3.6Å; A227-M230 PolarHBondContact O-N 2.94Å; L228-M230 PolarHBondContact O-N 3.09Å; M230-H232 PolarHBondContact O-N 3.32Å; M230-R233 VanDerWaalsContact CE-CZ 3.41Å; M230-R233 VanDerWaalsContact O-CB 3.28Å; M230-R233 WeakPolarHBondContact O-CB 3.46Å; M230-R233 WeakPolarHBondContact O-CG 3.32Å; M230-R233 PolarHBondContact O-N 3.46Å
231R89.3Confident87.8Confident3 Ų331 Ų311%0.01116%0.16CC..G310 helixtrans-59.1-27.3-171.773.1-176.2-171.5141.9-9.2114.4L222 A227 R233 L234 F237 R572 D573 I575 A576L222-R231 HydrophobicContact CD2-CB 4.47Å; L222-R231 WeakPolarHBondContact O-CD 3.47Å; A227-R231 WeakPolarHBondContact O-CB 3.22Å; A227-R231 PolarHBondContact O-N 2.71Å; R231-R233 PolarHBondContact O-N 3.28Å; R231-R233 VanDerWaalsContact O-N 3.13Å; R231-L234 VanDerWaalsContact O-CB 3.25Å; R231-L234 WeakPolarHBondContact O-CB 3.3Å; R231-L234 PolarHBondContact O-N 2.84Å; R231-F237 HydrophobicContact CB-CD2 4.05Å; R231-F237 HydrophobicContact CB-CE2 4.39Å; R231-F237 HydrophobicContact CB-CG 4.48Å; R231-F237 HydrophobicContact CG-CD2 4.24Å; R231-F237 HydrophobicContact CG-CG 4.21Å; R231-F237 VanDerWaalsContact NH1-CZ 3.28Å; R231-F237 WeakPolarHBondContact O-CB 3.47Å; R231-R572 PolarHBondContact NH2-O 3.39Å; R231-D573 IonicContact NH1-OD1 2.98Å; R231-I575 PolarHBondContact NH2-O 2.96Å; R231-A576 PolarHBondContact NE-O 3.07Å; R231-A576 PolarHBondContact NH2-O 3.49Å
232H87.7Confident88.3Confident83 Ų8330.3 Ų30.338%0.38415%0.15SC..G310 helixtrans-63.7-14.8176.566-89.9000113.5S229 M230 L241S229-H232 PolarHBondContact O-CE1 3.21Å; M230-H232 PolarHBondContact O-N 3.32Å; H232-L241 HydrophobicContact CB-CD1 3.9Å
233R86Confident88.8Confident98 Ų9830.2 Ų30.237%0.3715%0.15SC..G310 helixtrans-73.6-17.3170.6-61.5-173.4179.9-163.11.1112.6M230 R231M230-R233 VanDerWaalsContact CE-CZ 3.41Å; M230-R233 VanDerWaalsContact O-CB 3.28Å; M230-R233 WeakPolarHBondContact O-CB 3.46Å; M230-R233 WeakPolarHBondContact O-CG 3.32Å; M230-R233 PolarHBondContact O-N 3.46Å; R231-R233 PolarHBondContact O-N 3.28Å; R231-R233 VanDerWaalsContact O-N 3.13Å
234L86.4Confident89.3Confident8 Ų828.4 Ų28.44%0.04214%0.143CC..SBendtrans-74.6144.1171.4-60.7173.4000110.4L210 L222 R231 E236 F237 G238L210-L234 HydrophobicContact CB-CD2 4.41Å; L222-L234 HydrophobicContact CD1-CD1 3.64Å; L222-L234 HydrophobicContact CD2-CD1 3.71Å; L222-L234 HydrophobicContact CG-CD1 4.35Å; R231-L234 VanDerWaalsContact O-CB 3.25Å; R231-L234 WeakPolarHBondContact O-CB 3.3Å; R231-L234 PolarHBondContact O-N 2.84Å; L234-E236 VanDerWaalsContact C-N 3.34Å; L234-E236 WeakPolarHBondContact CB-OE1 3.27Å; L234-E236 WeakPolarHBondContact CD1-OE1 3.24Å; L234-E236 PolarHBondContact O-N 3.32Å; L234-F237 HydrophobicContact CB-CD2 4.32Å; L234-F237 HydrophobicContact CD1-CD2 4.27Å; L234-F237 PolarHBondContact O-N 3.24Å; L234-G238 PolarHBondContact O-N 2.75Å
235P85.7Confident89.9Confident4 Ų429.9 Ų29.93%0.02616%0.158CC..Hα-helixtrans-52.3-46.8-173.8-19.121.4000114.4P158 R212 G238 A239 L391P158-P235 HydrophobicContact CB-CG 4.18Å; P158-P235 HydrophobicContact CG-CG 4.2Å; R212-P235 HydrophobicContact CG-CG 3.91Å; P235-G238 PolarHBondContact O-N 2.93Å; P235-A239 WeakPolarHBondContact O-CB 3.4Å; P235-A239 PolarHBondContact O-N 3.45Å; P235-L391 HydrophobicContact CB-CD1 4.01Å; P235-L391 HydrophobicContact CB-CD2 3.94Å
236E89.6Confident90.8Very high0 Ų028.4 Ų28.40%015%0.147CC..Hα-helixtrans-72.3-33.5-174.170-70.317100113R216 L234 M240 F395 L396R216-E236 IonicContact CZ-OE1 3.58Å; R216-E236 IonicContact CZ-OE2 3.32Å; R216-E236 VanDerWaalsContact CZ-OE2 3.32Å; R216-E236 IonicContact NH1-OE1 2.65Å; R216-E236 PolarHBondContact NH1-OE1 3.15Å; R216-E236 IonicContact NH1-OE2 3.1Å; R216-E236 PolarHBondContact NH1-OE2 3.16Å; R216-E236 VanDerWaalsContact NH1-OE2 3.1Å; R216-E236 IonicContact NH2-OE1 3.67Å; R216-E236 IonicContact NH2-OE2 2.68Å; R216-E236 PolarHBondContact NH2-OE2 3.05Å; L234-E236 VanDerWaalsContact C-N 3.34Å; L234-E236 WeakPolarHBondContact CB-OE1 3.27Å; L234-E236 WeakPolarHBondContact CD1-OE1 3.24Å; L234-E236 PolarHBondContact O-N 3.32Å; E236-M240 WeakPolarHBondContact O-CB 3.45Å; E236-M240 PolarHBondContact O-N 3.34Å; E236-F395 HydrophobicContact CB-CB 3.78Å; E236-F395 HydrophobicContact CB-CD2 3.97Å; E236-F395 HydrophobicContact CB-CG 4.24Å; E236-F395 HydrophobicContact CG-CB 3.59Å; E236-F395 HydrophobicContact CG-CD2 4.41Å; E236-F395 HydrophobicContact CG-CG 4.24Å; E236-L396 HydrophobicContact CB-CD1 4.3Å; E236-L396 HydrophobicContact CB-CG 4.22Å; E236-L396 HydrophobicContact CG-CD1 4.14Å; E236-L396 HydrophobicContact CG-CD2 3.89Å; E236-L396 HydrophobicContact CG-CG 3.91Å
237F93Very high91.7Very high2 Ų224.4 Ų24.41%0.00913%0.129CC..Hα-helixtrans-78.1-37175.3-75.7-65.7000110.7L222 R231 L234 M240 L241 L396 D573L222-F237 HydrophobicContact CB-CE2 4.25Å; L222-F237 HydrophobicContact CD1-CE2 3.89Å; R231-F237 HydrophobicContact CB-CD2 4.05Å; R231-F237 HydrophobicContact CB-CE2 4.39Å; R231-F237 HydrophobicContact CB-CG 4.48Å; R231-F237 HydrophobicContact CG-CD2 4.24Å; R231-F237 HydrophobicContact CG-CG 4.21Å; R231-F237 VanDerWaalsContact NH1-CZ 3.28Å; R231-F237 WeakPolarHBondContact O-CB 3.47Å; L234-F237 HydrophobicContact CB-CD2 4.32Å; L234-F237 HydrophobicContact CD1-CD2 4.27Å; L234-F237 PolarHBondContact O-N 3.24Å; F237-M240 HydrophobicContact CD1-CE 4.07Å; F237-M240 PolarHBondContact O-N 2.82Å; F237-L241 VanDerWaalsContact O-CG 3.3Å; F237-L241 WeakPolarHBondContact O-CG 3.23Å; F237-L241 PolarHBondContact O-N 3.29Å; F237-L396 HydrophobicContact CD1-CD1 4.33Å; F237-L396 HydrophobicContact CE1-CD1 4.12Å; F237-L396 HydrophobicContact CE1-CD2 3.93Å; F237-L396 HydrophobicContact CE2-CD2 4.12Å; F237-L396 HydrophobicContact CZ-CD2 3.61Å; F237-D573 HydrophobicContact CE1-CB 4.09Å
238G93Very high92.4Very high12 Ų1225.7 Ų25.712%0.12413%0.134CC..Hα-helixtrans-59-46.5167.600000111.9L234 P235 L241 R242L234-G238 PolarHBondContact O-N 2.75Å; P235-G238 PolarHBondContact O-N 2.93Å; G238-L241 PolarHBondContact O-N 3.05Å; G238-R242 WeakPolarHBondContact O-CG 3.34Å; G238-R242 PolarHBondContact O-N 2.74Å
239A93.6Very high92.9Very high0 Ų031 Ų310%015%0.153CC..Hα-helixtrans-60.6-46175.700000111.8P235 L241 R242 M243 D388 L391 I392P235-A239 WeakPolarHBondContact O-CB 3.4Å; P235-A239 PolarHBondContact O-N 3.45Å; A239-L241 VanDerWaalsContact C-N 3.32Å; A239-L241 PolarHBondContact O-N 3.29Å; A239-R242 VanDerWaalsContact CA-NH2 3.31Å; A239-R242 PolarHBondContact O-N 3.27Å; A239-M243 WeakPolarHBondContact O-CB 3.43Å; A239-M243 WeakPolarHBondContact O-CG 3.48Å; A239-M243 PolarHBondContact O-N 3.4Å; A239-D388 HydrophobicContact CB-CB 3.82Å; A239-D388 VanDerWaalsContact CB-OD1 3.22Å; A239-D388 WeakPolarHBondContact CB-OD1 3.06Å; A239-L391 HydrophobicContact CB-CB 4.15Å; A239-L391 HydrophobicContact CB-CD1 4.16Å; A239-I392 HydrophobicContact CB-CD1 4.23Å; A239-I392 HydrophobicContact CB-CG1 3.96Å
240M96.2Very high93.6Very high1 Ų128.9 Ų28.91%0.00514%0.139CC..Hα-helixtrans-58.6-42.8176.2178.2-79.9-62.100111.5E236 F237 M243 R244 I392 L396 I568 D573 T574E236-M240 WeakPolarHBondContact O-CB 3.45Å; E236-M240 PolarHBondContact O-N 3.34Å; F237-M240 HydrophobicContact CD1-CE 4.07Å; F237-M240 PolarHBondContact O-N 2.82Å; M240-M243 PolarHBondContact O-N 3.15Å; M240-R244 VanDerWaalsContact O-CB 3.29Å; M240-R244 WeakPolarHBondContact O-CB 3.48Å; M240-R244 PolarHBondContact O-N 2.81Å; M240-I392 HydrophobicContact CB-CD1 4.22Å; M240-I392 HydrophobicContact CB-CG1 4.2Å; M240-L396 HydrophobicContact CB-CD1 4.27Å; M240-I568 HydrophobicContact CG-CD1 4.07Å; M240-D573 WeakPolarHBondContact CE-O 3.41Å; M240-D573 VanDerWaalsContact CG-O 3.32Å; M240-D573 WeakPolarHBondContact CG-O 3.35Å; M240-T574 VanDerWaalsContact SD-C 3.53Å
241L97.2Very high94.3Very high53 Ų5327 Ų2728%0.27713%0.129SC..Hα-helixtrans-69.4-37178.5-66.6175.8000112.8H232 F237 G238 A239 R244 A245 A576H232-L241 HydrophobicContact CB-CD1 3.9Å; F237-L241 VanDerWaalsContact O-CG 3.3Å; F237-L241 WeakPolarHBondContact O-CG 3.23Å; F237-L241 PolarHBondContact O-N 3.29Å; G238-L241 PolarHBondContact O-N 3.05Å; A239-L241 VanDerWaalsContact C-N 3.32Å; A239-L241 PolarHBondContact O-N 3.29Å; L241-R244 WeakPolarHBondContact O-CB 3.34Å; L241-R244 PolarHBondContact O-N 2.91Å; L241-A245 PolarHBondContact O-N 3.01Å; L241-A576 HydrophobicContact CD1-CB 4.28Å; L241-A576 HydrophobicContact CD2-CB 3.81Å
242R96.7Very high94.7Very high49 Ų4931 Ų3119%0.18514%0.144CC..Hα-helixtrans-62.6-45.2171-72.2-172.6-64.1-88.6-0.4111.2G110 S111 S112 G238 A239 R244 A245 H246 D388G110-R242 PolarHBondContact O-NH1 3.38Å; S111-R242 WeakPolarHBondContact O-CD 3.33Å; S112-R242 VanDerWaalsContact C-CZ 3.43Å; S112-R242 PolarHBondContact O-NH1 3.39Å; G238-R242 WeakPolarHBondContact O-CG 3.34Å; G238-R242 PolarHBondContact O-N 2.74Å; A239-R242 VanDerWaalsContact CA-NH2 3.31Å; A239-R242 PolarHBondContact O-N 3.27Å; R242-R244 PolarHBondContact O-N 2.89Å; R242-A245 PolarHBondContact O-N 2.8Å; R242-H246 WeakPolarHBondContact O-CB 3.34Å; R242-H246 PolarHBondContact O-N 2.99Å; R242-D388 IonicContact CZ-OD1 3.98Å; R242-D388 IonicContact CZ-OD2 2.81Å; R242-D388 IonicContact NE-OD1 3.26Å; R242-D388 PolarHBondContact NE-OD1 2.78Å; R242-D388 IonicContact NE-OD2 2.9Å; R242-D388 PolarHBondContact NE-OD2 2.85Å; R242-D388 IonicContact NH2-OD1 3.44Å; R242-D388 PolarHBondContact NH2-OD1 3.19Å; R242-D388 IonicContact NH2-OD2 3.35Å
243M97.8Very high95.3Very high0 Ų031.9 Ų31.90%015%0.147CC..Hα-helixtrans-62.1-41.8175.1-79.4-66.3168.900112.3A239 M240 A245 H246 I247 V373 L385 D388 L389 I392 L566A239-M243 WeakPolarHBondContact O-CB 3.43Å; A239-M243 WeakPolarHBondContact O-CG 3.48Å; A239-M243 PolarHBondContact O-N 3.4Å; M240-M243 PolarHBondContact O-N 3.15Å; M243-A245 PolarHBondContact O-N 3.11Å; M243-H246 WeakPolarHBondContact O-CB 3.39Å; M243-H246 PolarHBondContact O-N 2.92Å; M243-I247 VanDerWaalsContact O-CG1 3.32Å; M243-I247 WeakPolarHBondContact O-CG1 3.47Å; M243-I247 PolarHBondContact O-N 3.09Å; M243-V373 HydrophobicContact CE-CB 4.21Å; M243-V373 HydrophobicContact CE-CG1 4.28Å; M243-V373 HydrophobicContact SD-CB 4.3Å; M243-V373 HydrophobicContact SD-CG1 3.95Å; M243-L385 VanDerWaalsContact CE-C 3.49Å; M243-L385 HydrophobicContact CE-CB 3.8Å; M243-L385 HydrophobicContact CE-CD2 3.86Å; M243-L385 HydrophobicContact CE-CG 4.47Å; M243-L385 WeakPolarHBondContact CE-O 3.15Å; M243-L385 HydrophobicContact SD-CD2 4.36Å; M243-D388 HydrophobicContact CE-CB 3.47Å; M243-D388 VanDerWaalsContact CE-CB 3.47Å; M243-D388 HydrophobicContact CG-CB 4.18Å; M243-L389 HydrophobicContact CE-CB 4.41Å; M243-I392 HydrophobicContact CB-CD1 4Å; M243-I392 HydrophobicContact CG-CD1 3.6Å; M243-L566 HydrophobicContact CB-CD1 3.89Å; M243-L566 HydrophobicContact CB-CD2 4.23Å; M243-L566 HydrophobicContact CG-CD2 4.12Å; M243-L566 HydrophobicContact SD-CD2 4.15Å
244R98.2Very high95.9Very high22 Ų2227.4 Ų27.48%0.08313%0.13CC..Hα-helixtrans-56.4-50.8174.5-175.7179.6176.376.33.6111.1M240 L241 R242 H246 K248 F558 E559 M562 T574M240-R244 VanDerWaalsContact O-CB 3.29Å; M240-R244 WeakPolarHBondContact O-CB 3.48Å; M240-R244 PolarHBondContact O-N 2.81Å; L241-R244 WeakPolarHBondContact O-CB 3.34Å; L241-R244 PolarHBondContact O-N 2.91Å; R242-R244 PolarHBondContact O-N 2.89Å; R244-H246 VanDerWaalsContact C-N 3.32Å; R244-H246 PolarHBondContact O-N 3.47Å; R244-K248 WeakPolarHBondContact O-CB 3.49Å; R244-K248 WeakPolarHBondContact O-CG 3.5Å; R244-K248 PolarHBondContact O-N 3.12Å; R244-F558 HydrophobicContact CG-CE1 3.89Å; R244-E559 IonicContact CZ-OE1 2.83Å; R244-E559 IonicContact NH1-OE1 2.78Å; R244-E559 PolarHBondContact NH1-OE1 3.37Å; R244-E559 IonicContact NH2-OE1 3.36Å; R244-E559 PolarHBondContact NH2-OE1 2.88Å; R244-M562 VanDerWaalsContact CA-SD 3.54Å; R244-M562 HydrophobicContact CB-CE 4.04Å; R244-M562 HydrophobicContact CB-SD 3.71Å; R244-M562 HydrophobicContact CG-CE 3.79Å; R244-M562 HydrophobicContact CG-SD 3.68Å; R244-T574 PolarHBondContact NH1-O 2.96Å
245A97.9Very high96.4Very high64 Ų6427 Ų2753%0.52913%0.128SC..Hα-helixtrans-61.7-41.917700000111.9L241 R242 M243 K248 R249L241-A245 PolarHBondContact O-N 3.01Å; R242-A245 PolarHBondContact O-N 2.8Å; M243-A245 PolarHBondContact O-N 3.11Å; A245-K248 PolarHBondContact O-N 2.9Å; A245-R249 PolarHBondContact O-N 3.09Å; A245-R249 VanDerWaalsContact O-N 3.09Å
246H98.2Very high97.1Very high18 Ų1830.7 Ų30.78%0.08315%0.154CC..Hα-helixtrans-62.5-49.2178.7179.898.3000112.6R242 M243 R244 K248 R249 I250 E372 L385R242-H246 WeakPolarHBondContact O-CB 3.34Å; R242-H246 PolarHBondContact O-N 2.99Å; M243-H246 WeakPolarHBondContact O-CB 3.39Å; M243-H246 PolarHBondContact O-N 2.92Å; R244-H246 VanDerWaalsContact C-N 3.32Å; R244-H246 PolarHBondContact O-N 3.47Å; H246-K248 PolarHBondContact O-N 3.42Å; H246-R249 PolarHBondContact CE1-NH2 3.31Å; H246-R249 PolarHBondContact ND1-NH2 2.96Å; H246-R249 WeakPolarHBondContact O-CB 3.48Å; H246-R249 PolarHBondContact O-N 2.92Å; H246-R249 VanDerWaalsContact O-N 3.11Å; H246-I250 WeakPolarHBondContact NE2-CD1 3.49Å; H246-I250 PolarHBondContact O-N 3.27Å; H246-E372 IonicContact CE1-OE1 2.66Å; H246-E372 PolarHBondContact CE1-OE1 3Å; H246-E372 IonicContact NE2-OE1 3.49Å; H246-E372 PolarHBondContact NE2-OE1 3.14Å; H246-L385 HydrophobicContact CB-CD2 4.44Å; H246-L385 WeakPolarHBondContact CE1-CD1 3.35Å; H246-L385 WeakPolarHBondContact ND1-CD2 3.44Å
247I98.4Very high97.5Very high0 Ų034.3 Ų34.30%018%0.18CC..Hα-helixtrans-67.2-37.7179.2-62.2169.5000110.4M243 R249 I250 V251 F558 L561 M562 V565 L566M243-I247 VanDerWaalsContact O-CG1 3.32Å; M243-I247 WeakPolarHBondContact O-CG1 3.47Å; M243-I247 PolarHBondContact O-N 3.09Å; I247-R249 PolarHBondContact O-N 2.71Å; I247-I250 WeakPolarHBondContact O-CB 3.29Å; I247-I250 PolarHBondContact O-N 2.67Å; I247-I250 VanDerWaalsContact O-N 3.09Å; I247-V251 WeakPolarHBondContact O-CG2 2.82Å; I247-V251 PolarHBondContact O-N 3.08Å; I247-F558 HydrophobicContact CB-CE2 4.4Å; I247-F558 HydrophobicContact CB-CZ 4.2Å; I247-F558 HydrophobicContact CG2-CE2 3.8Å; I247-F558 HydrophobicContact CG2-CZ 4.08Å; I247-L561 HydrophobicContact CG2-CD2 4.31Å; I247-M562 HydrophobicContact CD1-CG 4.18Å; I247-M562 HydrophobicContact CD1-SD 4.48Å; I247-V565 HydrophobicContact CD1-CB 4.35Å; I247-V565 HydrophobicContact CD1-CG1 3.9Å; I247-L566 HydrophobicContact CD1-CD1 4.12Å; I247-L566 HydrophobicContact CD1-CD2 4.15Å; I247-L566 HydrophobicContact CD1-CG 4.14Å
248K98.7Very high97.7Very high29 Ų2934.7 Ų34.713%0.12618%0.183CC..Hα-helixtrans-57.5-38.8171.3-75.5-163.4175.1-169.20112R244 A245 H246 V251 R252 L321 Y340 F558R244-K248 WeakPolarHBondContact O-CB 3.49Å; R244-K248 WeakPolarHBondContact O-CG 3.5Å; R244-K248 PolarHBondContact O-N 3.12Å; A245-K248 PolarHBondContact O-N 2.9Å; H246-K248 PolarHBondContact O-N 3.42Å; K248-V251 PolarHBondContact O-N 2.89Å; K248-R252 WeakPolarHBondContact O-CG 3.44Å; K248-R252 PolarHBondContact O-N 2.88Å; K248-R252 VanDerWaalsContact O-N 3.14Å; K248-L321 HydrophobicContact CB-CD2 4.3Å; K248-L321 HydrophobicContact CD-CD2 4.12Å; K248-L321 HydrophobicContact CG-CD2 3.95Å; K248-Y340 VanDerWaalsContact NZ-CD1 3.25Å; K248-F558 HydrophobicContact CB-CZ 4.21Å; K248-F558 HydrophobicContact CD-CE1 4.14Å; K248-F558 HydrophobicContact CD-CZ 4.31Å; K248-F558 VanDerWaalsContact CE-CE1 3.48Å; K248-F558 HydrophobicContact CG-CD1 4.39Å; K248-F558 HydrophobicContact CG-CE1 3.51Å; K248-F558 HydrophobicContact CG-CE2 3.86Å; K248-F558 HydrophobicContact CG-CZ 3.22Å
249R98.7Very high98Very high120 Ų12040.8 Ų40.845%0.45321%0.212SC..Hα-helixtrans-67.4-38.7175.5-177.6-179.954.265.40.9111.8A245 H246 I247 K253A245-R249 PolarHBondContact O-N 3.09Å; A245-R249 VanDerWaalsContact O-N 3.09Å; H246-R249 PolarHBondContact CE1-NH2 3.31Å; H246-R249 PolarHBondContact ND1-NH2 2.96Å; H246-R249 WeakPolarHBondContact O-CB 3.48Å; H246-R249 PolarHBondContact O-N 2.92Å; H246-R249 VanDerWaalsContact O-N 3.11Å; I247-R249 PolarHBondContact O-N 2.71Å; R249-K253 WeakPolarHBondContact O-CB 3.22Å; R249-K253 PolarHBondContact O-N 3.29Å
250I98.7Very high98.2Very high0 Ų041.2 Ų41.20%021%0.214CC..Hα-helixtrans-60.6-49.2173.3-72.6172.3000110.6H246 I247 R252 K253 V254 I366 E369H246-I250 WeakPolarHBondContact NE2-CD1 3.49Å; H246-I250 PolarHBondContact O-N 3.27Å; I247-I250 WeakPolarHBondContact O-CB 3.29Å; I247-I250 PolarHBondContact O-N 2.67Å; I247-I250 VanDerWaalsContact O-N 3.09Å; I250-R252 PolarHBondContact O-N 3.09Å; I250-K253 WeakPolarHBondContact O-CB 3.5Å; I250-K253 PolarHBondContact O-N 3.5Å; I250-V254 HydrophobicContact CG2-CG2 4.35Å; I250-V254 WeakPolarHBondContact O-CG2 3.5Å; I250-V254 PolarHBondContact O-N 3.42Å; I250-I366 HydrophobicContact CG2-CG2 4.27Å; I250-E369 HydrophobicContact CB-CB 4.49Å; I250-E369 HydrophobicContact CD1-CB 4.3Å; I250-E369 HydrophobicContact CG1-CB 4.3Å; I250-E369 HydrophobicContact CG2-CB 3.47Å; I250-E369 VanDerWaalsContact CG2-CB 3.47Å; I250-E369 HydrophobicContact CG2-CG 4.33Å
251V98.8Very high98.3Very high0 Ų045.4 Ų45.40%024%0.236CC..Hα-helixtrans-54.1-53.4178.4169.90000110.4I247 K248 K253 V254 M255 L321 L342 I366 F558 L561I247-V251 WeakPolarHBondContact O-CG2 2.82Å; I247-V251 PolarHBondContact O-N 3.08Å; K248-V251 PolarHBondContact O-N 2.89Å; V251-K253 VanDerWaalsContact C-N 3.34Å; V251-K253 PolarHBondContact O-N 3.24Å; V251-V254 PolarHBondContact O-N 3.49Å; V251-V254 VanDerWaalsContact O-N 3.16Å; V251-M255 HydrophobicContact CG1-CG 4.19Å; V251-M255 VanDerWaalsContact O-CG 3.29Å; V251-M255 WeakPolarHBondContact O-CG 3.46Å; V251-M255 PolarHBondContact O-N 3.22Å; V251-L321 HydrophobicContact CG1-CD2 4.46Å; V251-L342 HydrophobicContact CG1-CD1 3.83Å; V251-L342 HydrophobicContact CG1-CD2 3.7Å; V251-L342 HydrophobicContact CG1-CG 4.31Å; V251-I366 HydrophobicContact CG2-CD1 4.24Å; V251-I366 HydrophobicContact CG2-CG2 4.21Å; V251-F558 HydrophobicContact CG2-CE2 4.19Å; V251-L561 HydrophobicContact CG2-CD2 4.36Å
252R98.7Very high98.4Very high87 Ų8746.6 Ų46.633%0.32824%0.24SC..Hα-helixtrans-58.9-42.9178.5-70.2-173.8172.384.86.4113.3K248 I250 V254 S256 E262K248-R252 WeakPolarHBondContact O-CG 3.44Å; K248-R252 PolarHBondContact O-N 2.88Å; K248-R252 VanDerWaalsContact O-N 3.14Å; I250-R252 PolarHBondContact O-N 3.09Å; R252-V254 VanDerWaalsContact C-N 3.34Å; R252-V254 PolarHBondContact O-N 2.91Å; R252-S256 VanDerWaalsContact O-CB 3.25Å; R252-S256 WeakPolarHBondContact O-CB 3.4Å; R252-S256 PolarHBondContact O-N 2.74Å; R252-E262 WeakPolarHBondContact CD-OE2 3.43Å; R252-E262 IonicContact CZ-OE1 3.87Å; R252-E262 IonicContact NE-OE1 3.3Å; R252-E262 PolarHBondContact NE-OE1 3.18Å; R252-E262 IonicContact NE-OE2 3.39Å; R252-E262 PolarHBondContact NE-OE2 2.77Å; R252-E262 IonicContact NH2-OE1 2.74Å; R252-E262 PolarHBondContact NH2-OE1 3.34Å; R252-E262 VanDerWaalsContact NH2-OE1 3.13Å
253K98.6Very high98.5Very high102 Ų10245 Ų4544%0.44324%0.236SC..Hα-helixtrans-58.2-47.4176.1177-171.5167.4-166.70110.8R249 I250 V251 S257 E369R249-K253 WeakPolarHBondContact O-CB 3.22Å; R249-K253 PolarHBondContact O-N 3.29Å; I250-K253 WeakPolarHBondContact O-CB 3.5Å; I250-K253 PolarHBondContact O-N 3.5Å; V251-K253 VanDerWaalsContact C-N 3.34Å; V251-K253 PolarHBondContact O-N 3.24Å; K253-S257 WeakPolarHBondContact O-CB 3.42Å; K253-S257 PolarHBondContact O-N 2.69Å; K253-S257 PolarHBondContact O-OG 2.98Å; K253-E369 IonicContact NZ-OE1 2.73Å; K253-E369 PolarHBondContact NZ-OE1 3.08Å; K253-E369 IonicContact NZ-OE2 3.69Å; K253-E369 PolarHBondContact NZ-OE2 3.44Å
254V98.8Very high98.5Very high4 Ų452 Ų522%0.02427%0.273CS..Hα-helixtrans-68.2-47.7-178.2171.80000111.5I250 V251 R252 S256 S257 C258 K365 I366 E369I250-V254 HydrophobicContact CG2-CG2 4.35Å; I250-V254 WeakPolarHBondContact O-CG2 3.5Å; I250-V254 PolarHBondContact O-N 3.42Å; V251-V254 PolarHBondContact O-N 3.49Å; V251-V254 VanDerWaalsContact O-N 3.16Å; R252-V254 VanDerWaalsContact C-N 3.34Å; R252-V254 PolarHBondContact O-N 2.91Å; V254-S256 VanDerWaalsContact C-N 3.34Å; V254-S256 PolarHBondContact O-N 3.32Å; V254-S257 WeakPolarHBondContact CA-OG 3.48Å; V254-S257 PolarHBondContact O-N 3.04Å; V254-S257 VanDerWaalsContact O-N 3.1Å; V254-S257 PolarHBondContact O-OG 3.23Å; V254-C258 PolarHBondContact O-N 3.4Å; V254-C258 VanDerWaalsContact O-N 3.08Å; V254-C258 PolarHBondContact O-SG 2.93Å; V254-K365 HydrophobicContact CG1-CB 3.49Å; V254-K365 VanDerWaalsContact CG1-CB 3.49Å; V254-K365 HydrophobicContact CG1-CD 4.23Å; V254-K365 HydrophobicContact CG2-CB 4.24Å; V254-I366 HydrophobicContact CB-CG1 3.89Å; V254-I366 HydrophobicContact CG1-CG1 3.85Å; V254-I366 HydrophobicContact CG2-CG1 4.12Å; V254-E369 HydrophobicContact CG2-CG 3.99Å
255M98.8Very high98.4Very high0 Ų051.4 Ų51.40%027%0.272CS..Hα-helixtrans-58.1-47.4178.7-65.7-55.3-74.400111V251 S257 C258 D259 Y260 Y319 L342 A344 L362V251-M255 HydrophobicContact CG1-CG 4.19Å; V251-M255 VanDerWaalsContact O-CG 3.29Å; V251-M255 WeakPolarHBondContact O-CG 3.46Å; V251-M255 PolarHBondContact O-N 3.22Å; M255-S257 VanDerWaalsContact C-N 3.33Å; M255-S257 PolarHBondContact O-N 3.05Å; M255-C258 CarbonylContact O-C 3.57Å; M255-C258 PolarHBondContact O-N 3.32Å; M255-D259 PolarHBondContact O-N 2.78Å; M255-Y260 HydrophobicContact CE-CD1 3.72Å; M255-Y260 HydrophobicContact CE-CD2 3.97Å; M255-Y260 HydrophobicContact CE-CE1 4.26Å; M255-Y260 HydrophobicContact CE-CE2 4.46Å; M255-Y260 HydrophobicContact CE-CG 3.55Å; M255-Y260 PolarHBondContact O-N 3.41Å; M255-Y260 VanDerWaalsContact O-N 3.08Å; M255-Y319 HydrophobicContact CB-CD1 3.84Å; M255-Y319 HydrophobicContact CB-CD2 4.13Å; M255-Y319 HydrophobicContact CB-CE1 3.53Å; M255-Y319 HydrophobicContact CB-CE2 3.86Å; M255-Y319 HydrophobicContact CB-CG 4.1Å; M255-Y319 VanDerWaalsContact CE-CB 3.43Å; M255-Y319 HydrophobicContact CE-CD1 4.17Å; M255-Y319 HydrophobicContact CE-CD2 4.09Å; M255-Y319 HydrophobicContact CE-CG 3.64Å; M255-Y319 HydrophobicContact CG-CD1 4.37Å; M255-Y319 HydrophobicContact CG-CD2 3.86Å; M255-Y319 HydrophobicContact CG-CE1 4.33Å; M255-Y319 HydrophobicContact CG-CE2 3.83Å; M255-Y319 HydrophobicContact CG-CG 4.11Å; M255-L342 HydrophobicContact CE-CD1 4.47Å; M255-L342 HydrophobicContact CG-CD1 4.34Å; M255-A344 HydrophobicContact CE-CB 3.77Å; M255-L362 HydrophobicContact CE-CD1 4.48Å; M255-L362 HydrophobicContact SD-CD1 4.37Å; M255-L362 HydrophobicContact SD-CD2 4.02Å
256S98.5Very high98.3Very high82 Ų8251.4 Ų51.457%0.57327%0.267SS*.Hα-helixtrans-60.5-39.1174.9177.20000112.8R252 V254 C258 D259R252-S256 VanDerWaalsContact O-CB 3.25Å; R252-S256 WeakPolarHBondContact O-CB 3.4Å; R252-S256 PolarHBondContact O-N 2.74Å; V254-S256 VanDerWaalsContact C-N 3.34Å; V254-S256 PolarHBondContact O-N 3.32Å; S256-C258 PolarHBondContact O-N 2.99Å; S256-D259 PolarHBondContact O-N 2.69Å
257S98.6Very high98.1Very high76 Ų7653.1 Ų53.153%0.53128%0.276SS..Hα-helixtrans-70.4-12.3176.276.60000114.6K253 V254 M255K253-S257 WeakPolarHBondContact O-CB 3.42Å; K253-S257 PolarHBondContact O-N 2.69Å; K253-S257 PolarHBondContact O-OG 2.98Å; V254-S257 WeakPolarHBondContact CA-OG 3.48Å; V254-S257 PolarHBondContact O-N 3.04Å; V254-S257 VanDerWaalsContact O-N 3.1Å; V254-S257 PolarHBondContact O-OG 3.23Å; M255-S257 VanDerWaalsContact C-N 3.33Å; M255-S257 PolarHBondContact O-N 3.05Å
258C98.3Very high97.9Very high10 Ų1057.7 Ų57.77%0.06830%0.3CS..THydrogen-bonded Turntrans-107.518.5176.6-57.90000111.8V254 M255 S256 Y260 L362 K365V254-C258 PolarHBondContact O-N 3.4Å; V254-C258 VanDerWaalsContact O-N 3.08Å; V254-C258 PolarHBondContact O-SG 2.93Å; M255-C258 CarbonylContact O-C 3.57Å; M255-C258 PolarHBondContact O-N 3.32Å; S256-C258 PolarHBondContact O-N 2.99Å; C258-Y260 HydrophobicContact CB-CD2 4.08Å; C258-Y260 WeakPolarHBondContact O-CD2 2.99Å; C258-Y260 PolarHBondContact O-N 2.8Å; C258-L362 HydrophobicContact CB-CD2 3.7Å; C258-K365 VanDerWaalsContact SG-CD 3.53Å; C258-K365 PolarHBondContact SG-NZ 3.23Å
259D98Very high97.5Very high140 Ų14056.9 Ų56.975%0.74930%0.297SS*.THydrogen-bonded Turntrans61.920.6177.7-53.7-49.7000114.9M255 S256M255-D259 PolarHBondContact O-N 2.78Å; S256-D259 PolarHBondContact O-N 2.69Å
260Y98.7Very high96.9Very high8 Ų854.4 Ų54.43%0.03130%0.298CS..PPolyproline II helixtrans-80.6124.9168.6-80-96.7000110.2M255 C258 K317 V318 Y319 A344 S346 E358 L362M255-Y260 HydrophobicContact CE-CD1 3.72Å; M255-Y260 HydrophobicContact CE-CD2 3.97Å; M255-Y260 HydrophobicContact CE-CE1 4.26Å; M255-Y260 HydrophobicContact CE-CE2 4.46Å; M255-Y260 HydrophobicContact CE-CG 3.55Å; M255-Y260 PolarHBondContact O-N 3.41Å; M255-Y260 VanDerWaalsContact O-N 3.08Å; C258-Y260 HydrophobicContact CB-CD2 4.08Å; C258-Y260 WeakPolarHBondContact O-CD2 2.99Å; C258-Y260 PolarHBondContact O-N 2.8Å; Y260-K317 HydrophobicContact CD1-CB 3.83Å; Y260-K317 HydrophobicContact CD2-CB 4.41Å; Y260-K317 HydrophobicContact CD2-CD 4.15Å; Y260-K317 HydrophobicContact CE1-CB 4.07Å; Y260-K317 HydrophobicContact CE2-CD 3.94Å; Y260-K317 HydrophobicContact CG-CB 4.02Å; Y260-V318 WeakPolarHBondContact CD1-O 3.29Å; Y260-Y319 WeakPolarHBondContact O-CE1 3.32Å; Y260-A344 HydrophobicContact CD1-CB 4.09Å; Y260-A344 HydrophobicContact CE1-CB 3.76Å; Y260-S346 WeakPolarHBondContact OH-CB 3.46Å; Y260-E358 WeakPolarHBondContact OH-CG 3.38Å; Y260-E358 PolarHBondContact OH-OE1 2.88Å; Y260-L362 HydrophobicContact CD2-CD2 4.29Å; Y260-L362 HydrophobicContact CE2-CD1 3.79Å; Y260-L362 HydrophobicContact CE2-CD2 4.02Å; Y260-L362 HydrophobicContact CE2-CG 4.44Å
261L98.6Very high96Very high90 Ų9055.6 Ų55.647%0.47131%0.306SS..EExtended strand (participates in β ladder)trans-83125.8176.4-179.364.2000110.8V263 L315 K317 V318 Y319L261-V263 HydrophobicContact CD2-CG1 4.35Å; L261-V263 HydrophobicContact CG-CG1 4.22Å; L261-V263 PolarHBondContact O-N 3.42Å; L261-L315 HydrophobicContact CD2-CD1 4.06Å; L261-L315 HydrophobicContact CD2-CD2 4.37Å; L261-K317 PolarHBondContact N-O 2.83Å; L261-V318 HydrophobicContact CB-CG1 4.5Å; L261-V318 CarbonylContact O-C 3.6Å; L261-V318 WeakPolarHBondContact O-CA 3.28Å; L261-Y319 VanDerWaalsContact C-CD1 3.5Å; L261-Y319 WeakPolarHBondContact O-CD1 3.22Å; L261-Y319 PolarHBondContact O-N 2.88Å
262E98.7Very high95Very high77 Ų7757.5 Ų57.536%0.3632%0.316SS..EExtended strand (participates in β ladder)trans-71.3127.6173.6-163.2168.5-17600109.1R252 Y319R252-E262 WeakPolarHBondContact CD-OE2 3.43Å; R252-E262 IonicContact CZ-OE1 3.87Å; R252-E262 IonicContact NE-OE1 3.3Å; R252-E262 PolarHBondContact NE-OE1 3.18Å; R252-E262 IonicContact NE-OE2 3.39Å; R252-E262 PolarHBondContact NE-OE2 2.77Å; R252-E262 IonicContact NH2-OE1 2.74Å; R252-E262 PolarHBondContact NH2-OE1 3.34Å; R252-E262 VanDerWaalsContact NH2-OE1 3.13Å; E262-Y319 CarbonylContact C-O 3.52Å; E262-Y319 WeakPolarHBondContact CA-O 3.31Å; E262-Y319 HydrophobicContact CB-CD1 4.2Å; E262-Y319 HydrophobicContact CB-CE1 3.45Å; E262-Y319 VanDerWaalsContact CB-CE1 3.45Å; E262-Y319 HydrophobicContact CB-CE2 4.36Å; E262-Y319 HydrophobicContact CG-CE1 4.04Å; E262-Y319 HydrophobicContact CG-CE2 4.02Å; E262-Y319 VanDerWaalsContact N-CE1 3.28Å; E262-Y319 PolarHBondContact OE2-OH 2.98Å; E262-Y319 VanDerWaalsContact OE2-OH 3.1Å
263V98.5Very high93.7Very high17 Ų1753.6 Ų53.610%0.10330%0.302CS..  trans-130.3146.7179-61.90000110.8L261 T265 L308 L311 V318 Y319 T320L261-V263 HydrophobicContact CD2-CG1 4.35Å; L261-V263 HydrophobicContact CG-CG1 4.22Å; L261-V263 PolarHBondContact O-N 3.42Å; V263-T265 HydrophobicContact CG2-CG2 4.46Å; V263-L308 HydrophobicContact CG2-CD2 3.52Å; V263-L311 HydrophobicContact CB-CD1 3.99Å; V263-L311 HydrophobicContact CG1-CD1 4.29Å; V263-L311 HydrophobicContact CG2-CD1 3.73Å; V263-V318 HydrophobicContact CG1-CB 4.3Å; V263-V318 HydrophobicContact CG1-CG1 4.08Å; V263-V318 HydrophobicContact CG2-CB 4.08Å; V263-Y319 WeakPolarHBondContact CG2-O 3.13Å; V263-Y319 PolarHBondContact N-O 3.04Å; V263-T320 WeakPolarHBondContact O-CB 3.25Å; V263-T320 PolarHBondContact O-OG1 3.02Å
264D97.6Very high92.5Very high145 Ų14551 Ų5178%0.77529%0.292SS*.  trans-90.4134.8171.2-64.8-42.8000109.6
265T96.4Very high91Very high11 Ų1152.9 Ų52.97%0.06731%0.312CS..  trans-117.9151.6178.760.50000110.5V263 I267 A304 H307 L308 T320 N322V263-T265 HydrophobicContact CG2-CG2 4.46Å; T265-I267 PolarHBondContact O-N 3.06Å; T265-A304 HydrophobicContact CG2-CB 3.94Å; T265-A304 VanDerWaalsContact OG1-CB 3.3Å; T265-A304 WeakPolarHBondContact OG1-CB 3.3Å; T265-H307 HydrophobicContact CG2-CB 3.89Å; T265-L308 HydrophobicContact CG2-CD2 4.11Å; T265-L308 HydrophobicContact CG2-CG 4.44Å; T265-T320 HydrophobicContact CG2-CG2 4.39Å; T265-N322 PolarHBondContact N-ND2 3.44Å; T265-N322 PolarHBondContact OG1-ND2 2.71Å; T265-N322 VanDerWaalsContact OG1-ND2 3.09Å
266P95.3Very high89.6Confident64 Ų6456.2 Ų56.242%0.41633%0.332SS..  trans-56.1134.7176.9-26.235.8000112.6
267I95.5Very high88.2Confident53 Ų5355.5 Ų55.527%0.27234%0.338SS..SBendtrans-88.3-26.9172.8-55.8-53.2000111.4T265 L300 T301 N322 P323 F325T265-I267 PolarHBondContact O-N 3.06Å; I267-L300 HydrophobicContact CG2-CD2 4.13Å; I267-L300 CarbonylContact O-C 3.57Å; I267-L300 WeakPolarHBondContact O-CA 3.34Å; I267-T301 HydrophobicContact CD1-CG2 4.21Å; I267-T301 PolarHBondContact O-N 2.95Å; I267-N322 HydrophobicContact CD1-CB 4.39Å; I267-P323 HydrophobicContact CD1-CG 3.93Å; I267-F325 HydrophobicContact CG2-CD2 4.46Å; I267-F325 HydrophobicContact CG2-CE2 3.67Å; I267-F325 HydrophobicContact CG2-CZ 4.41Å
268L93.2Very high87.4Confident96 Ų9655.6 Ų55.650%0.50333%0.33SS..EExtended strand (participates in β ladder)trans-95.9127.5171.8-62.2176000109.5V282 V298 Y299 L300L268-V282 HydrophobicContact CD2-CB 4.12Å; L268-V282 HydrophobicContact CD2-CG1 4Å; L268-V282 HydrophobicContact CD2-CG2 3.8Å; L268-V298 HydrophobicContact CB-CG1 3.92Å; L268-V298 HydrophobicContact CD2-CG1 4.09Å; L268-V298 HydrophobicContact CG-CG1 4.42Å; L268-Y299 CarbonylContact C-O 3.54Å; L268-Y299 VanDerWaalsContact CA-O 3.31Å; L268-Y299 WeakPolarHBondContact CA-O 3.45Å; L268-L300 HydrophobicContact CD2-CD2 3.98Å
269T90.1Very high86.9Confident12 Ų1256.3 Ų56.37%0.07433%0.332CS..EExtended strand (participates in β ladder)trans-131.6151.3-179.866.70000111.1T271 Y299T269-T271 PolarHBondContact OG1-O 2.91Å; T269-Y299 PolarHBondContact N-O 3.47Å; T269-Y299 PolarHBondContact O-N 2.97Å
270S85.8Confident86.5Confident68 Ų6851.7 Ų51.748%0.47631%0.306SS..SBendtrans-94.9-2.7171.754.90000112.8
271T79.5Confident86.1Confident26 Ų2657.2 Ų57.216%0.1633%0.332CS..SBendtrans-124.4144-177.655.30000110.9T269 C273T269-T271 PolarHBondContact OG1-O 2.91Å; T271-C273 PolarHBondContact O-N 2.7Å
272D78.4Confident85.6Confident39 Ų3955.4 Ų55.421%0.20932%0.324CS..  trans-82.8107.8163.8-179.4-9.3000108.4E274 G275 T276 G277 M279D272-E274 VanDerWaalsContact C-N 3.31Å; D272-E274 PolarHBondContact O-N 3.22Å; D272-E274 PolarHBondContact OD1-N 2.85Å; D272-G275 VanDerWaalsContact CG-N 3.29Å; D272-G275 PolarHBondContact O-N 3.45Å; D272-G275 PolarHBondContact OD1-N 3.48Å; D272-G275 WeakPolarHBondContact OD2-CA 3.46Å; D272-T276 PolarHBondContact OD2-N 3.44Å; D272-G277 WeakPolarHBondContact OD2-CA 3.24Å; D272-G277 PolarHBondContact OD2-N 2.85Å; D272-M279 HydrophobicContact CB-CE 4.35Å; D272-M279 HydrophobicContact CB-CG 4.23Å
273C72.2Confident85Confident6 Ų659 Ų594%0.04134%0.341CS..SBendtrans-56.2-41.9-175.9-176.20000112.9T271 M306 Y489T271-C273 PolarHBondContact O-N 2.7Å; C273-M306 HydrophobicContact CB-SD 4.38Å; C273-Y489 WeakPolarHBondContact O-CE1 3.27Å
274E72.3Confident84.2Confident48 Ų4861.3 Ų61.322%0.22436%0.362CS..SBendtrans-98.9-21-175.1-65.9178.5-168.700112.3D272 T276 R326 P487D272-E274 VanDerWaalsContact C-N 3.31Å; D272-E274 PolarHBondContact O-N 3.22Å; D272-E274 PolarHBondContact OD1-N 2.85Å; E274-T276 HydrophobicContact CB-CG2 3.79Å; E274-R326 IonicContact OE1-NH2 3.76Å; E274-R326 PolarHBondContact OE1-NH2 3.37Å; E274-R326 IonicContact OE2-NH2 3.07Å; E274-P487 HydrophobicContact CB-CG 4.48Å
275G69.1Low83.3Confident43 Ų4360 Ų6044%0.44336%0.361SS..  trans7625.2-175.900000113D272 G277D272-G275 VanDerWaalsContact CG-N 3.29Å; D272-G275 PolarHBondContact O-N 3.45Å; D272-G275 PolarHBondContact OD1-N 3.48Å; D272-G275 WeakPolarHBondContact OD2-CA 3.46Å; G275-G277 VanDerWaalsContact C-N 3.31Å
276T67.8Low82Confident70 Ų7063 Ų6343%0.42939%0.387SS..  trans-76.7-19.9-179.659.20000112.5D272 E274 Q278D272-T276 PolarHBondContact OD2-N 3.44Å; E274-T276 HydrophobicContact CB-CG2 3.79Å; T276-Q278 PolarHBondContact O-N 3.2Å; T276-Q278 PolarHBondContact OG1-N 3.12Å
277G70.6Confident80.3Confident67 Ų6767.2 Ų67.269%0.69141%0.405SS*.SBendtrans72.68.4-173.300000113.7D272 G275D272-G277 WeakPolarHBondContact OD2-CA 3.24Å; D272-G277 PolarHBondContact OD2-N 2.85Å; G275-G277 VanDerWaalsContact C-N 3.31Å
278Q81.3Confident78.4Confident78 Ų7872.9 Ų72.936%0.36444%0.436SS..  trans-104.350.1-173.2-65.4177.6-24.600112T276 A327T276-Q278 PolarHBondContact O-N 3.2Å; T276-Q278 PolarHBondContact OG1-N 3.12Å; Q278-A327 WeakPolarHBondContact O-CB 3.27Å; Q278-A327 PolarHBondContact O-N 2.97Å
279M86.8Confident76.5Confident25 Ų2576 Ų7612%0.12345%0.448CS..  trans-104.8148.5-179.7-62.1-61.4-138.300111.7D272 Y299D272-M279 HydrophobicContact CB-CE 4.35Å; D272-M279 HydrophobicContact CB-CG 4.23Å; M279-Y299 HydrophobicContact CB-CD1 3.89Å; M279-Y299 HydrophobicContact CB-CG 4.15Å
280F90.6Very high74.9Confident42 Ų4282.1 Ų82.118%0.18449%0.486CS..  trans-80.1124.4167.5-73.4-85.7000109.4Y299 L300 F325 A327 A337 T581 I584F280-Y299 CarbonylContact O-C 3.59Å; F280-Y299 WeakPolarHBondContact O-CA 3.41Å; F280-L300 HydrophobicContact CB-CB 4.24Å; F280-L300 HydrophobicContact CB-CD1 3.95Å; F280-L300 HydrophobicContact CB-CG 4.28Å; F280-L300 PolarHBondContact O-N 3.44Å; F280-F325 HydrophobicContact CD2-CB 3.92Å; F280-F325 HydrophobicContact CE2-CB 4.45Å; F280-A327 HydrophobicContact CD1-CB 4.31Å; F280-A327 HydrophobicContact CD2-CB 3.88Å; F280-A327 HydrophobicContact CE1-CB 4.27Å; F280-A327 HydrophobicContact CE2-CB 3.85Å; F280-A327 HydrophobicContact CG-CB 4.13Å; F280-A327 HydrophobicContact CZ-CB 4.05Å; F280-A337 HydrophobicContact CE2-CB 4.05Å; F280-A337 HydrophobicContact CZ-CB 3.89Å; F280-T581 HydrophobicContact CE1-CG2 4.39Å; F280-T581 HydrophobicContact CZ-CG2 3.87Å; F280-I584 HydrophobicContact CE1-CD1 4.29Å
281E89.4Confident73.3Confident125 Ų12584.8 Ų84.858%0.58449%0.485SS*.EExtended strand (participates in β ladder)trans-79.6138.7173.9-170.3169.7-157.200111S297 Y299E281-S297 WeakPolarHBondContact OE1-CB 3.39Å; E281-S297 PolarHBondContact OE1-OG 3.36Å; E281-Y299 HydrophobicContact CB-CD1 4.12Å; E281-Y299 HydrophobicContact CB-CE1 4.13Å; E281-Y299 HydrophobicContact CG-CD1 4.39Å; E281-Y299 HydrophobicContact CG-CE1 4.17Å
282V89.4Confident72.1Confident52 Ų5291.9 Ų91.932%0.31552%0.517SS..EExtended strand (participates in β ladder)trans-115.7117.6-179.7-177.80000108.9L268 V298 L300L268-V282 HydrophobicContact CD2-CB 4.12Å; L268-V282 HydrophobicContact CD2-CG1 4Å; L268-V282 HydrophobicContact CD2-CG2 3.8Å; V282-V298 HydrophobicContact CB-CG1 4.35Å; V282-V298 PolarHBondContact N-O 3.41Å; V282-L300 HydrophobicContact CG2-CD2 3.82Å; V282-L300 HydrophobicContact CG2-CG 3.62Å
283Q86Confident70.9Confident153 Ų15396.2 Ų96.272%0.71555%0.55SS*.  trans-108.2121.2177.8-170.7175.73.500110.4
284A80.3Confident70.1Confident64 Ų64103.2 Ų103.253%0.52959%0.587SS.*  trans-66143.8167.700000110.1A286 R291A284-A286 PolarHBondContact O-N 3Å; A284-R291 PolarHBondContact O-NH2 2.85Å
285P78.9Confident69.4Low119 Ų119104.9 Ų104.977%0.77360%0.604SS**  trans-50.5138.2171-23.832.5000110.4L287P285-L287 PolarHBondContact O-N 3.09Å
286A70Confident69.5Low73 Ų73106.4 Ų106.460%0.60361%0.608SS**  trans-60.8114.5175.900000109.2A284A284-A286 PolarHBondContact O-N 3Å
287L59.3Low70.2Confident153 Ų153105.1 Ų105.180%0.80160%0.602SS**  trans-62138.5152.8-82.6145.8000105.9P285 E289P285-L287 PolarHBondContact O-N 3.09Å; L287-E289 PolarHBondContact O-N 3.4Å
288N54.8Low71.1Confident171 Ų171104.4 Ų104.491%0.91458%0.584SS**SBendtrans-63.628.1-174.8-82.9-21.2000114.9
289E54.9Low71.6Confident162 Ų162103.7 Ų103.776%0.75758%0.578SS**SBendtrans-121.8131.9-177.5-66.1-178.6179.800109.1L287 R291L287-E289 PolarHBondContact O-N 3.4Å; E289-R291 PolarHBondContact O-N 3.3Å
290T54.9Low71.9Confident141 Ų141104.4 Ų104.487%0.86558%0.582SS**  trans-36100.7175.141.80000111.3E292T290-E292 PolarHBondContact O-N 2.89Å
291R53.2Low72Confident123 Ų123102.5 Ų102.546%0.46457%0.574SS.*  trans-61111.2171.4-72.9-171.1178.7-168.60.1107.2A284 E289 S293A284-R291 PolarHBondContact O-NH2 2.85Å; E289-R291 PolarHBondContact O-N 3.3Å; R291-S293 PolarHBondContact O-N 2.97Å
292E53.6Low72.2Confident176 Ų17696.8 Ų96.882%0.82255%0.549SS*.  trans-50.1133.7156.4-70.9-177.416300107T290 D294T290-E292 PolarHBondContact O-N 2.89Å; E292-D294 PolarHBondContact O-N 2.81Å
293S54.3Low72.4Confident129 Ų12994.5 Ų94.590%0.90254%0.535SS*.THydrogen-bonded Turntrans-62.66.7-168.550.40000115.4R291R291-S293 PolarHBondContact O-N 2.97Å
294D54Low72.8Confident153 Ų15387.3 Ų87.382%0.81850%0.502SS*.THydrogen-bonded Turntrans-111.517.8-169-127.214.1000113.9E292 S296E292-D294 PolarHBondContact O-N 2.81Å; D294-S296 PolarHBondContact O-N 3.28Å
295S58.5Low73.5Confident83 Ų8384.9 Ų84.958%0.5848%0.479SS*.  trans-65.2102.1169.91790000109.8S297S295-S297 PolarHBondContact O-N 3.31Å
296S71.6Confident74.2Confident75 Ų7579.6 Ų79.652%0.52445%0.445SS..  trans-49.5129.2170.557.10000111D294D294-S296 PolarHBondContact O-N 3.28Å
297S82.4Confident75.3Confident44 Ų4478.4 Ų78.431%0.30843%0.426SS..  trans-57141174.2-70.60000111.3E281 S295 Y299E281-S297 WeakPolarHBondContact OE1-CB 3.39Å; E281-S297 PolarHBondContact OE1-OG 3.36Å; S295-S297 PolarHBondContact O-N 3.31Å; S297-Y299 VanDerWaalsContact CB-CZ 3.42Å; S297-Y299 WeakPolarHBondContact CB-OH 3.46Å
298V88.8Confident77.1Confident51 Ų5171.2 Ų71.231%0.30939%0.389SS..EExtended strand (participates in β ladder)trans-112139.8176.4179.30000108L268 V282L268-V298 HydrophobicContact CB-CG1 3.92Å; L268-V298 HydrophobicContact CD2-CG1 4.09Å; L268-V298 HydrophobicContact CG-CG1 4.42Å; V282-V298 HydrophobicContact CB-CG1 4.35Å; V282-V298 PolarHBondContact N-O 3.41Å
299Y91.7Very high79.1Confident64 Ų6463 Ų6325%0.25135%0.345SS..EExtended strand (participates in β ladder)trans-128.5155.8-175.5-54.5-80.2000111.4L268 T269 M279 F280 E281 S297L268-Y299 CarbonylContact C-O 3.54Å; L268-Y299 VanDerWaalsContact CA-O 3.31Å; L268-Y299 WeakPolarHBondContact CA-O 3.45Å; T269-Y299 PolarHBondContact N-O 3.47Å; T269-Y299 PolarHBondContact O-N 2.97Å; M279-Y299 HydrophobicContact CB-CD1 3.89Å; M279-Y299 HydrophobicContact CB-CG 4.15Å; F280-Y299 CarbonylContact O-C 3.59Å; F280-Y299 WeakPolarHBondContact O-CA 3.41Å; E281-Y299 HydrophobicContact CB-CD1 4.12Å; E281-Y299 HydrophobicContact CB-CE1 4.13Å; E281-Y299 HydrophobicContact CG-CD1 4.39Å; E281-Y299 HydrophobicContact CG-CE1 4.17Å; S297-Y299 VanDerWaalsContact CB-CZ 3.42Å; S297-Y299 WeakPolarHBondContact CB-OH 3.46Å
300L93.6Very high81Confident39 Ų3957.6 Ų57.620%0.20433%0.325CS..EExtended strand (participates in β ladder)trans-74.1140.3161.2-65.1175.8000109.7I267 L268 F280 V282 G302 F325I267-L300 HydrophobicContact CG2-CD2 4.13Å; I267-L300 CarbonylContact O-C 3.57Å; I267-L300 WeakPolarHBondContact O-CA 3.34Å; L268-L300 HydrophobicContact CD2-CD2 3.98Å; F280-L300 HydrophobicContact CB-CB 4.24Å; F280-L300 HydrophobicContact CB-CD1 3.95Å; F280-L300 HydrophobicContact CB-CG 4.28Å; F280-L300 PolarHBondContact O-N 3.44Å; V282-L300 HydrophobicContact CG2-CD2 3.82Å; V282-L300 HydrophobicContact CG2-CG 3.62Å; L300-G302 PolarHBondContact O-N 3.39Å; L300-F325 HydrophobicContact CB-CB 3.78Å; L300-F325 HydrophobicContact CB-CD1 4.46Å; L300-F325 HydrophobicContact CB-CD2 3.7Å; L300-F325 HydrophobicContact CB-CE2 4.41Å; L300-F325 HydrophobicContact CB-CG 3.72Å; L300-F325 HydrophobicContact CD1-CB 4.31Å; L300-F325 HydrophobicContact CD1-CD1 3.67Å; L300-F325 HydrophobicContact CD1-CD2 4.26Å; L300-F325 HydrophobicContact CD1-CE1 3.97Å; L300-F325 HydrophobicContact CD1-CG 3.82Å; L300-F325 HydrophobicContact CD1-CZ 4.4Å; L300-F325 HydrophobicContact CD2-CE2 4.43Å; L300-F325 HydrophobicContact CG-CD2 4.38Å; L300-F325 HydrophobicContact CG-CG 4.32Å
301T93.3Very high83Confident3 Ų353.6 Ų53.62%0.01830%0.298CS..  trans-67.6130.7-176-170.30000113.1I267 S303 F325I267-T301 HydrophobicContact CD1-CG2 4.21Å; I267-T301 PolarHBondContact O-N 2.95Å; T301-S303 PolarHBondContact OG1-N 3.35Å; T301-S303 PolarHBondContact OG1-O 3.16Å; T301-F325 PolarHBondContact O-N 3.46Å
302G92.5Very high85.1Confident5 Ų547.7 Ų47.75%0.05228%0.275CS..SBendtrans-90.3-10.3168.600000113.8L300 T324 F325L300-G302 PolarHBondContact O-N 3.39Å; G302-T324 WeakPolarHBondContact O-CG2 3.35Å; G302-F325 WeakPolarHBondContact CA-O 3.36Å
303S93.7Very high87Confident4 Ų441.5 Ų41.53%0.02825%0.248CC..  trans-172.5141.3175.21670000110.9T301 Q305 E343T301-S303 PolarHBondContact OG1-N 3.35Å; T301-S303 PolarHBondContact OG1-O 3.16Å; S303-Q305 PolarHBondContact O-N 3.35Å; S303-Q305 WeakPolarHBondContact OG-CB 2.81Å; S303-Q305 PolarHBondContact OG-N 3.2Å; S303-E343 WeakPolarHBondContact CB-OE1 3.3Å; S303-E343 PolarHBondContact OG-OE1 3.01Å
304A94.8Very high88.9Confident1 Ų138.5 Ų38.51%0.00824%0.237CC..SBendtrans-78.6-2.9172.900000113.8T265 M306 H307 L308 T320 E343T265-A304 HydrophobicContact CG2-CB 3.94Å; T265-A304 VanDerWaalsContact OG1-CB 3.3Å; T265-A304 WeakPolarHBondContact OG1-CB 3.3Å; A304-M306 PolarHBondContact O-N 3.31Å; A304-H307 WeakPolarHBondContact O-CB 3.29Å; A304-H307 PolarHBondContact O-N 3.28Å; A304-L308 HydrophobicContact CB-CD1 4.25Å; A304-L308 HydrophobicContact CB-CG 4.25Å; A304-L308 PolarHBondContact O-N 3.45Å; A304-T320 HydrophobicContact CB-CG2 3.7Å; A304-E343 VanDerWaalsContact CB-OE2 3.23Å; A304-E343 WeakPolarHBondContact CB-OE2 3.11Å; A304-E343 VanDerWaalsContact N-CD 3.26Å; A304-E343 PolarHBondContact N-OE1 2.96Å; A304-E343 PolarHBondContact N-OE2 3.38Å
305Q94.4Very high91Very high14 Ų1435.2 Ų35.27%0.06522%0.219CC..Hα-helixtrans-49.7-53.5-166.7-170.2-166.4-81.800114S303 H307 L308 E309 E343 Y489 R517S303-Q305 PolarHBondContact O-N 3.35Å; S303-Q305 WeakPolarHBondContact OG-CB 2.81Å; S303-Q305 PolarHBondContact OG-N 3.2Å; Q305-H307 PolarHBondContact O-N 3.37Å; Q305-L308 PolarHBondContact O-N 3.12Å; Q305-E309 HydrophobicContact CG-CG 4.41Å; Q305-E309 PolarHBondContact NE2-OE1 2.9Å; Q305-E309 WeakPolarHBondContact O-CG 3.47Å; Q305-E309 PolarHBondContact O-N 3.16Å; Q305-E343 PolarHBondContact N-OE1 3.39Å; Q305-Y489 VanDerWaalsContact NE2-CD1 3.28Å; Q305-Y489 PolarHBondContact OE1-OH 3.18Å; Q305-Y489 VanDerWaalsContact OE1-OH 3.1Å; Q305-R517 VanDerWaalsContact CG-NH2 3.33Å; Q305-R517 VanDerWaalsContact OE1-CZ 3.31Å
306M93Very high92.8Very high8 Ų834.1 Ų34.14%0.03921%0.211CC..Hα-helixtrans-59.8-33.1-177.7-67.4176.8104.900113C273 A304 S310 F488 W539 Y540C273-M306 HydrophobicContact CB-SD 4.38Å; A304-M306 PolarHBondContact O-N 3.31Å; M306-S310 PolarHBondContact O-N 3.06Å; M306-F488 HydrophobicContact CE-CE2 4.33Å; M306-F488 HydrophobicContact CE-CZ 3.83Å; M306-W539 HydrophobicContact CB-CH2 4.25Å; M306-Y540 HydrophobicContact CB-CD2 4.18Å; M306-Y540 HydrophobicContact CB-CE2 3.9Å; M306-Y540 HydrophobicContact CE-CD1 3.54Å; M306-Y540 HydrophobicContact CE-CD2 3.64Å; M306-Y540 HydrophobicContact CE-CE1 3.71Å; M306-Y540 HydrophobicContact CE-CE2 3.81Å; M306-Y540 HydrophobicContact CE-CG 3.48Å; M306-Y540 VanDerWaalsContact CE-CG 3.48Å; M306-Y540 HydrophobicContact CG-CD2 4.2Å; M306-Y540 HydrophobicContact CG-CE2 3.72Å
307H94.8Very high94.1Very high48 Ų4833.5 Ų33.522%0.22220%0.199CC..Hα-helixtrans-73.6-41.2176.3-59.898.4000111.1T265 A304 Q305 E309 S310 L311T265-H307 HydrophobicContact CG2-CB 3.89Å; A304-H307 WeakPolarHBondContact O-CB 3.29Å; A304-H307 PolarHBondContact O-N 3.28Å; Q305-H307 PolarHBondContact O-N 3.37Å; H307-E309 VanDerWaalsContact C-N 3.34Å; H307-S310 WeakPolarHBondContact O-CB 3.48Å; H307-S310 PolarHBondContact O-N 2.74Å; H307-L311 VanDerWaalsContact O-CG 3.31Å; H307-L311 WeakPolarHBondContact O-CG 3.33Å; H307-L311 PolarHBondContact O-N 3.05Å
308L97.3Very high94.8Very high1 Ų131.4 Ų31.41%0.00519%0.185CC..Hα-helixtrans-63.8-39.3175.4-65.6176.7000111.8V263 T265 A304 Q305 S310 L311 A312 V318 T320 E343 E345V263-L308 HydrophobicContact CG2-CD2 3.52Å; T265-L308 HydrophobicContact CG2-CD2 4.11Å; T265-L308 HydrophobicContact CG2-CG 4.44Å; A304-L308 HydrophobicContact CB-CD1 4.25Å; A304-L308 HydrophobicContact CB-CG 4.25Å; A304-L308 PolarHBondContact O-N 3.45Å; Q305-L308 PolarHBondContact O-N 3.12Å; L308-S310 PolarHBondContact O-N 3.45Å; L308-L311 PolarHBondContact O-N 2.78Å; L308-A312 VanDerWaalsContact O-CB 3.25Å; L308-A312 WeakPolarHBondContact O-CB 3.49Å; L308-A312 PolarHBondContact O-N 2.75Å; L308-V318 HydrophobicContact CB-CG2 4.19Å; L308-V318 HydrophobicContact CD2-CB 4.37Å; L308-V318 HydrophobicContact CD2-CG2 3.92Å; L308-V318 WeakPolarHBondContact O-CG2 3.47Å; L308-T320 HydrophobicContact CD1-CG2 4.27Å; L308-T320 HydrophobicContact CD2-CG2 4.34Å; L308-E343 HydrophobicContact CD1-CB 3.46Å; L308-E343 VanDerWaalsContact CD1-CB 3.46Å; L308-E345 HydrophobicContact CB-CB 3.76Å
309E95.6Very high95.3Very high0 Ų029.1 Ų29.10%017%0.171CC..Hα-helixtrans-56.4-49.1171.8-69.8-179.4-118.500111.4Q305 H307 L311 A312 L313 E345 R517 Y540 R544 H551Q305-E309 HydrophobicContact CG-CG 4.41Å; Q305-E309 PolarHBondContact NE2-OE1 2.9Å; Q305-E309 WeakPolarHBondContact O-CG 3.47Å; Q305-E309 PolarHBondContact O-N 3.16Å; H307-E309 VanDerWaalsContact C-N 3.34Å; E309-L311 VanDerWaalsContact C-N 3.3Å; E309-L311 PolarHBondContact O-N 2.92Å; E309-A312 PolarHBondContact O-N 2.67Å; E309-L313 WeakPolarHBondContact O-CG 3.46Å; E309-L313 PolarHBondContact O-N 2.78Å; E309-E345 HydrophobicContact CG-CG 4.28Å; E309-R517 HydrophobicContact CG-CG 4.15Å; E309-Y540 HydrophobicContact CB-CE2 4.46Å; E309-Y540 PolarHBondContact OE1-OH 3.46Å; E309-Y540 WeakPolarHBondContact OE2-CE2 3.39Å; E309-Y540 PolarHBondContact OE2-OH 2.84Å; E309-R544 IonicContact OE2-CZ 2.72Å; E309-R544 IonicContact OE2-NH1 3.69Å; E309-R544 IonicContact OE2-NH2 3.45Å; E309-R544 PolarHBondContact OE2-NH2 3.3Å; E309-H551 IonicContact OE2-CE1 2.69Å; E309-H551 PolarHBondContact OE2-CE1 3.23Å
310S94.7Very high95.6Very high47 Ų4726.1 Ų26.133%0.32916%0.159SC..Hα-helixtrans-60-40.8177.3-172.80000112.5M306 H307 L308M306-S310 PolarHBondContact O-N 3.06Å; H307-S310 WeakPolarHBondContact O-CB 3.48Å; H307-S310 PolarHBondContact O-N 2.74Å; L308-S310 PolarHBondContact O-N 3.45Å
311L97Very high95.9Very high57 Ų5724.5 Ų24.530%0.29815%0.151SC..Hα-helixtrans-75.7-39.4-177.6-69.9172000112V263 H307 L308 E309 L313 G314 L315 V318V263-L311 HydrophobicContact CB-CD1 3.99Å; V263-L311 HydrophobicContact CG1-CD1 4.29Å; V263-L311 HydrophobicContact CG2-CD1 3.73Å; H307-L311 VanDerWaalsContact O-CG 3.31Å; H307-L311 WeakPolarHBondContact O-CG 3.33Å; H307-L311 PolarHBondContact O-N 3.05Å; L308-L311 PolarHBondContact O-N 2.78Å; E309-L311 VanDerWaalsContact C-N 3.3Å; E309-L311 PolarHBondContact O-N 2.92Å; L311-L313 VanDerWaalsContact C-N 3.25Å; L311-L313 PolarHBondContact O-N 3.24Å; L311-G314 PolarHBondContact O-N 2.95Å; L311-L315 HydrophobicContact CB-CD1 4.33Å; L311-L315 HydrophobicContact CD2-CD1 4.29Å; L311-L315 WeakPolarHBondContact O-CB 3.44Å; L311-L315 PolarHBondContact O-N 3.05Å; L311-V318 HydrophobicContact CB-CG1 4.21Å; L311-V318 HydrophobicContact CB-CG2 4.18Å
312A96.8Very high96Very high0 Ų025.5 Ų25.50%016%0.156CC..Hα-helixtrans-59.9-35.1179.100000112.1L308 E309 G314 L315 S316 V318 E345 I347L308-A312 VanDerWaalsContact O-CB 3.25Å; L308-A312 WeakPolarHBondContact O-CB 3.49Å; L308-A312 PolarHBondContact O-N 2.75Å; E309-A312 PolarHBondContact O-N 2.67Å; A312-G314 PolarHBondContact O-N 2.98Å; A312-L315 PolarHBondContact O-N 2.76Å; A312-S316 VanDerWaalsContact O-CA 3.23Å; A312-S316 WeakPolarHBondContact O-CA 3.26Å; A312-S316 PolarHBondContact O-N 2.87Å; A312-V318 HydrophobicContact CB-CG2 3.94Å; A312-E345 HydrophobicContact CB-CB 4.06Å; A312-E345 HydrophobicContact CB-CG 3.71Å; A312-I347 HydrophobicContact CB-CG2 4.41Å; A312-I347 WeakPolarHBondContact O-CG2 3.29Å
313L94.7Very high96.2Very high45 Ų4526.5 Ų26.524%0.23616%0.161CC..Hα-helixtrans-64.7-21.1176.4-65.9179.3000113.7E309 L311 L543 V549E309-L313 WeakPolarHBondContact O-CG 3.46Å; E309-L313 PolarHBondContact O-N 2.78Å; L311-L313 VanDerWaalsContact C-N 3.25Å; L311-L313 PolarHBondContact O-N 3.24Å; L313-L543 HydrophobicContact CD1-CB 4.01Å; L313-V549 HydrophobicContact CD2-CG2 4Å
314G94.3Very high96.3Very high67 Ų6726.3 Ų26.369%0.69116%0.16SC*.Hα-helixtrans-104.7-21173.600000114.9L311 A312L311-G314 PolarHBondContact O-N 2.95Å; A312-G314 PolarHBondContact O-N 2.98Å
315L96.6Very high96.2Very high84 Ų8427.4 Ų27.444%0.4417%0.165SC..Hα-helixtrans-124.21.6-168.3-60.9170.2000113.8L261 L311 A312 K317 V318L261-L315 HydrophobicContact CD2-CD1 4.06Å; L261-L315 HydrophobicContact CD2-CD2 4.37Å; L311-L315 HydrophobicContact CB-CD1 4.33Å; L311-L315 HydrophobicContact CD2-CD1 4.29Å; L311-L315 WeakPolarHBondContact O-CB 3.44Å; L311-L315 PolarHBondContact O-N 3.05Å; A312-L315 PolarHBondContact O-N 2.76Å; L315-K317 VanDerWaalsContact C-N 3.26Å; L315-K317 PolarHBondContact O-N 3.43Å; L315-V318 HydrophobicContact CB-CG1 3.68Å; L315-V318 HydrophobicContact CD1-CG1 4.01Å; L315-V318 HydrophobicContact CG-CG1 4.5Å
316S96.5Very high96Very high59 Ų5929.7 Ų29.741%0.41317%0.173SC..SBendtrans66.6-62.8-179.1-50.80000115.7A312 S346 I347A312-S316 VanDerWaalsContact O-CA 3.23Å; A312-S316 WeakPolarHBondContact O-CA 3.26Å; A312-S316 PolarHBondContact O-N 2.87Å; S316-S346 WeakPolarHBondContact O-CA 3.4Å; S316-I347 PolarHBondContact O-N 2.88Å; S316-I347 WeakPolarHBondContact OG-CD1 3.33Å
317K98.6Very high95.8Very high62 Ų6230.8 Ų30.827%0.2718%0.183SC..EExtended strand (participates in β ladder)trans-130115.5-176.8-63-165.5179.6-1590110.4Y260 L261 L315 S346 E358Y260-K317 HydrophobicContact CD1-CB 3.83Å; Y260-K317 HydrophobicContact CD2-CB 4.41Å; Y260-K317 HydrophobicContact CD2-CD 4.15Å; Y260-K317 HydrophobicContact CE1-CB 4.07Å; Y260-K317 HydrophobicContact CE2-CD 3.94Å; Y260-K317 HydrophobicContact CG-CB 4.02Å; L261-K317 PolarHBondContact N-O 2.83Å; L315-K317 VanDerWaalsContact C-N 3.26Å; L315-K317 PolarHBondContact O-N 3.43Å; K317-S346 WeakPolarHBondContact CE-OG 3.49Å; K317-E358 IonicContact NZ-OE1 3.74Å; K317-E358 PolarHBondContact NZ-OE1 2.78Å
318V98.8Very high95.3Very high0 Ų030.7 Ų30.70%018%0.182CC..EExtended strand (participates in β ladder)trans-131.6148.8-178.1-65.80000110.5Y260 L261 V263 L308 L311 A312 L315 A344 E345Y260-V318 WeakPolarHBondContact CD1-O 3.29Å; L261-V318 HydrophobicContact CB-CG1 4.5Å; L261-V318 CarbonylContact O-C 3.6Å; L261-V318 WeakPolarHBondContact O-CA 3.28Å; V263-V318 HydrophobicContact CG1-CB 4.3Å; V263-V318 HydrophobicContact CG1-CG1 4.08Å; V263-V318 HydrophobicContact CG2-CB 4.08Å; L308-V318 HydrophobicContact CB-CG2 4.19Å; L308-V318 HydrophobicContact CD2-CB 4.37Å; L308-V318 HydrophobicContact CD2-CG2 3.92Å; L308-V318 WeakPolarHBondContact O-CG2 3.47Å; L311-V318 HydrophobicContact CB-CG1 4.21Å; L311-V318 HydrophobicContact CB-CG2 4.18Å; A312-V318 HydrophobicContact CB-CG2 3.94Å; L315-V318 HydrophobicContact CB-CG1 3.68Å; L315-V318 HydrophobicContact CD1-CG1 4.01Å; L315-V318 HydrophobicContact CG-CG1 4.5Å; V318-A344 WeakPolarHBondContact O-CA 3.41Å; V318-E345 HydrophobicContact CG2-CB 4.21Å; V318-E345 PolarHBondContact N-O 2.9Å; V318-E345 PolarHBondContact O-N 2.76Å
319Y98.8Very high94.4Very high4 Ų437.3 Ų37.32%0.01622%0.218CC..EExtended strand (participates in β ladder)trans-144159.8173.384.3-76.2000111.4M255 Y260 L261 E262 V263 L342 E343M255-Y319 HydrophobicContact CB-CD1 3.84Å; M255-Y319 HydrophobicContact CB-CD2 4.13Å; M255-Y319 HydrophobicContact CB-CE1 3.53Å; M255-Y319 HydrophobicContact CB-CE2 3.86Å; M255-Y319 HydrophobicContact CB-CG 4.1Å; M255-Y319 VanDerWaalsContact CE-CB 3.43Å; M255-Y319 HydrophobicContact CE-CD1 4.17Å; M255-Y319 HydrophobicContact CE-CD2 4.09Å; M255-Y319 HydrophobicContact CE-CG 3.64Å; M255-Y319 HydrophobicContact CG-CD1 4.37Å; M255-Y319 HydrophobicContact CG-CD2 3.86Å; M255-Y319 HydrophobicContact CG-CE1 4.33Å; M255-Y319 HydrophobicContact CG-CE2 3.83Å; M255-Y319 HydrophobicContact CG-CG 4.11Å; Y260-Y319 WeakPolarHBondContact O-CE1 3.32Å; L261-Y319 VanDerWaalsContact C-CD1 3.5Å; L261-Y319 WeakPolarHBondContact O-CD1 3.22Å; L261-Y319 PolarHBondContact O-N 2.88Å; E262-Y319 CarbonylContact C-O 3.52Å; E262-Y319 WeakPolarHBondContact CA-O 3.31Å; E262-Y319 HydrophobicContact CB-CD1 4.2Å; E262-Y319 HydrophobicContact CB-CE1 3.45Å; E262-Y319 VanDerWaalsContact CB-CE1 3.45Å; E262-Y319 HydrophobicContact CB-CE2 4.36Å; E262-Y319 HydrophobicContact CG-CE1 4.04Å; E262-Y319 HydrophobicContact CG-CE2 4.02Å; E262-Y319 VanDerWaalsContact N-CE1 3.28Å; E262-Y319 PolarHBondContact OE2-OH 2.98Å; E262-Y319 VanDerWaalsContact OE2-OH 3.1Å; V263-Y319 WeakPolarHBondContact CG2-O 3.13Å; V263-Y319 PolarHBondContact N-O 3.04Å; Y319-L342 HydrophobicContact CD2-CD1 3.57Å; Y319-L342 HydrophobicContact CE2-CD1 4.23Å; Y319-L342 HydrophobicContact CG-CD1 4.5Å; Y319-E343 CarbonylContact C-O 3.53Å; Y319-E343 WeakPolarHBondContact CA-O 3.48Å; Y319-E343 WeakPolarHBondContact CB-O 3.41Å
320T98.7Very high93.7Very high1 Ų138.6 Ų38.61%0.00623%0.227CC..EExtended strand (participates in β ladder)trans-139.1155.3170.1-160.80000110.8V263 T265 A304 L308 N322 L342 E343V263-T320 WeakPolarHBondContact O-CB 3.25Å; V263-T320 PolarHBondContact O-OG1 3.02Å; T265-T320 HydrophobicContact CG2-CG2 4.39Å; A304-T320 HydrophobicContact CB-CG2 3.7Å; L308-T320 HydrophobicContact CD1-CG2 4.27Å; L308-T320 HydrophobicContact CD2-CG2 4.34Å; T320-N322 HydrophobicContact CG2-CB 4.18Å; T320-N322 PolarHBondContact OG1-ND2 2.92Å; T320-N322 PolarHBondContact OG1-OD1 3.31Å; T320-L342 WeakPolarHBondContact O-CA 3.44Å; T320-E343 HydrophobicContact CG2-CB 4.2Å; T320-E343 PolarHBondContact N-O 2.77Å; T320-E343 PolarHBondContact O-N 3.13Å
321L98.4Very high92.9Very high5 Ų540.6 Ų40.63%0.02623%0.234CC..EExtended strand (participates in β ladder)trans-127.272.3174.4-178.656.9000108.7K248 V251 M341 L342 F558K248-L321 HydrophobicContact CB-CD2 4.3Å; K248-L321 HydrophobicContact CD-CD2 4.12Å; K248-L321 HydrophobicContact CG-CD2 3.95Å; V251-L321 HydrophobicContact CG1-CD2 4.46Å; L321-M341 WeakPolarHBondContact CA-O 3.5Å; L321-L342 HydrophobicContact CD1-CB 4.05Å; L321-F558 HydrophobicContact CD1-CB 4.2Å; L321-F558 HydrophobicContact CD1-CD2 4.35Å; L321-F558 HydrophobicContact CD1-CG 4.28Å
322N96.6Very high92.4Very high24 Ų2440.6 Ų40.613%0.12824%0.236CC..EExtended strand (participates in β ladder)trans-110159.8-167.2-82-8000112.6T265 I267 T320 Y340 M341T265-N322 PolarHBondContact N-ND2 3.44Å; T265-N322 PolarHBondContact OG1-ND2 2.71Å; T265-N322 VanDerWaalsContact OG1-ND2 3.09Å; I267-N322 HydrophobicContact CD1-CB 4.39Å; T320-N322 HydrophobicContact CG2-CB 4.18Å; T320-N322 PolarHBondContact OG1-ND2 2.92Å; T320-N322 PolarHBondContact OG1-OD1 3.31Å; N322-Y340 WeakPolarHBondContact O-CA 3.36Å; N322-M341 PolarHBondContact N-O 2.92Å; N322-M341 PolarHBondContact O-N 2.88Å
323P96.4Very high91.9Very high25 Ų2546.9 Ų46.916%0.16226%0.26CS..EExtended strand (participates in β ladder)trans-66.5141.4169.629.7-34.2000110.4I267 F325 F339 Y340I267-P323 HydrophobicContact CD1-CG 3.93Å; P323-F325 HydrophobicContact CB-CE2 3.93Å; P323-F325 HydrophobicContact CB-CZ 3.95Å; P323-F325 HydrophobicContact CG-CE2 4.22Å; P323-F325 HydrophobicContact CG-CZ 4.39Å; P323-F339 CarbonylContact C-O 3.51Å; P323-F339 WeakPolarHBondContact CA-O 3.26Å; P323-Y340 HydrophobicContact CB-CE1 4.5Å
324T94.6Very high91.5Very high1 Ų148.1 Ų48.11%0.00626%0.262CS..EExtended strand (participates in β ladder)trans-127.9138.5179.8-59.80000108.5G302 E338 F339 M341G302-T324 WeakPolarHBondContact O-CG2 3.35Å; T324-E338 WeakPolarHBondContact O-CA 3.38Å; T324-F339 HydrophobicContact CG2-CE1 4.17Å; T324-F339 HydrophobicContact CG2-CE2 3.79Å; T324-F339 HydrophobicContact CG2-CZ 3.52Å; T324-F339 PolarHBondContact N-O 3.07Å; T324-F339 PolarHBondContact O-N 3.34Å; T324-M341 HydrophobicContact CG2-CE 3.92Å; T324-M341 VanDerWaalsContact OG1-CB 3.24Å; T324-M341 WeakPolarHBondContact OG1-CB 3.35Å
325F93.9Very high91.3Very high24 Ų2447.7 Ų47.711%0.10524%0.242CC..EExtended strand (participates in β ladder)trans-122.4122.4-173.9-55.4-92.6000110.4I267 F280 L300 T301 G302 P323 A337 E338I267-F325 HydrophobicContact CG2-CD2 4.46Å; I267-F325 HydrophobicContact CG2-CE2 3.67Å; I267-F325 HydrophobicContact CG2-CZ 4.41Å; F280-F325 HydrophobicContact CD2-CB 3.92Å; F280-F325 HydrophobicContact CE2-CB 4.45Å; L300-F325 HydrophobicContact CB-CB 3.78Å; L300-F325 HydrophobicContact CB-CD1 4.46Å; L300-F325 HydrophobicContact CB-CD2 3.7Å; L300-F325 HydrophobicContact CB-CE2 4.41Å; L300-F325 HydrophobicContact CB-CG 3.72Å; L300-F325 HydrophobicContact CD1-CB 4.31Å; L300-F325 HydrophobicContact CD1-CD1 3.67Å; L300-F325 HydrophobicContact CD1-CD2 4.26Å; L300-F325 HydrophobicContact CD1-CE1 3.97Å; L300-F325 HydrophobicContact CD1-CG 3.82Å; L300-F325 HydrophobicContact CD1-CZ 4.4Å; L300-F325 HydrophobicContact CD2-CE2 4.43Å; L300-F325 HydrophobicContact CG-CD2 4.38Å; L300-F325 HydrophobicContact CG-CG 4.32Å; T301-F325 PolarHBondContact O-N 3.46Å; G302-F325 WeakPolarHBondContact CA-O 3.36Å; P323-F325 HydrophobicContact CB-CE2 3.93Å; P323-F325 HydrophobicContact CB-CZ 3.95Å; P323-F325 HydrophobicContact CG-CE2 4.22Å; P323-F325 HydrophobicContact CG-CZ 4.39Å; F325-A337 CarbonylContact C-O 3.59Å; F325-A337 VanDerWaalsContact CA-O 3.26Å; F325-A337 WeakPolarHBondContact CA-O 3.48Å; F325-E338 HydrophobicContact CD1-CB 4.03Å; F325-E338 HydrophobicContact CD1-CG 4Å; F325-E338 HydrophobicContact CE1-CB 4.05Å; F325-E338 HydrophobicContact CE1-CG 3.56Å; F325-E338 HydrophobicContact CZ-CG 4.24Å
326R90.7Very high91.1Very high62 Ų6244.3 Ų44.323%0.23422%0.224CC..  trans-126.8116.7176.2-65.3-171.4177.6178.1-6.6109.8E274 E328 A337 F339E274-R326 IonicContact OE1-NH2 3.76Å; E274-R326 PolarHBondContact OE1-NH2 3.37Å; E274-R326 IonicContact OE2-NH2 3.07Å; R326-E328 HydrophobicContact CB-CG 4.29Å; R326-E328 VanDerWaalsContact CD-OE1 3.3Å; R326-E328 WeakPolarHBondContact CD-OE1 3.45Å; R326-E328 PolarHBondContact O-N 2.99Å; R326-A337 PolarHBondContact N-O 3.45Å; R326-A337 WeakPolarHBondContact O-CA 3.09Å; R326-F339 HydrophobicContact CB-CE1 4.24Å; R326-F339 HydrophobicContact CG-CE1 3.89Å; R326-F339 HydrophobicContact CG-CZ 4.05Å
327A88.3Confident90.9Very high30 Ų3041.8 Ų41.825%0.24821%0.207CC..  trans-81.241-179.900000112.1Q278 F280 T581Q278-A327 WeakPolarHBondContact O-CB 3.27Å; Q278-A327 PolarHBondContact O-N 2.97Å; F280-A327 HydrophobicContact CD1-CB 4.31Å; F280-A327 HydrophobicContact CD2-CB 3.88Å; F280-A327 HydrophobicContact CE1-CB 4.27Å; F280-A327 HydrophobicContact CE2-CB 3.85Å; F280-A327 HydrophobicContact CG-CB 4.13Å; F280-A327 HydrophobicContact CZ-CB 4.05Å; A327-T581 HydrophobicContact CB-CG2 4.42Å
328E83.8Confident90.7Very high46 Ų4641 Ų4122%0.21520%0.204CC..  trans-71.4132.9177.5-73.8172.4-143.700110.8R326 S330 H335 T581R326-E328 HydrophobicContact CB-CG 4.29Å; R326-E328 VanDerWaalsContact CD-OE1 3.3Å; R326-E328 WeakPolarHBondContact CD-OE1 3.45Å; R326-E328 PolarHBondContact O-N 2.99Å; E328-S330 PolarHBondContact O-N 3.25Å; E328-H335 IonicContact OE2-CD2 2.78Å; E328-H335 PolarHBondContact OE2-CD2 3.09Å; E328-H335 VanDerWaalsContact OE2-CD2 3.23Å; E328-H335 IonicContact OE2-NE2 3.57Å; E328-T581 VanDerWaalsContact O-CG2 3.24Å; E328-T581 WeakPolarHBondContact O-CG2 3.45Å
329N79.5Confident90.5Very high140 Ų14042.2 Ų42.275%0.74921%0.21SC*.  trans-78.457.1173.5-168.621.9000111.6
330S79.9Confident90.5Very high27 Ų2745.1 Ų45.119%0.18922%0.221CC..  trans-124111-179.6-176.80000110.4E328 T332 H335E328-S330 PolarHBondContact O-N 3.25Å; S330-T332 PolarHBondContact OG-OG1 3.02Å; S330-H335 PolarHBondContact OG-CE1 3.47Å; S330-H335 PolarHBondContact OG-ND1 3.49Å
331N79Confident90.4Very high89 Ų8945.7 Ų45.748%0.47622%0.224SC..  trans-104.536.9175.8-166.818.6000111.8R572 N580N331-R572 PolarHBondContact O-NH2 3.38Å; N331-R572 PolarHBondContact OD1-NH2 2.74Å; N331-N580 PolarHBondContact OD1-ND2 3.19Å
332T85.2Confident90.4Very high58 Ų5845.5 Ų45.536%0.35622%0.223SC..SBendtrans-89.3168.9178.567.50000111.9S330 Y334 H335 R572S330-T332 PolarHBondContact OG-OG1 3.02Å; T332-Y334 PolarHBondContact O-N 3.46Å; T332-H335 PolarHBondContact O-N 3.18Å; T332-H335 PolarHBondContact OG1-CE1 3.03Å; T332-H335 PolarHBondContact OG1-ND1 2.81Å; T332-R572 PolarHBondContact O-NH2 3.2Å
333R85.7Confident90.5Very high132 Ų13244.7 Ų44.750%0.49822%0.218SC..THydrogen-bonded Turntrans-67.92.417669.7176-179-177.21.8114.9N570 I571R333-N570 HydrophobicContact CB-CB 4.45Å; R333-I571 VanDerWaalsContact O-CG2 3.28Å; R333-I571 WeakPolarHBondContact O-CG2 3.08Å; R333-I571 PolarHBondContact O-N 3.11Å; R333-I571 VanDerWaalsContact O-N 3.17Å
334Y87.4Confident90.6Very high71 Ų7143.5 Ų43.528%0.27821%0.211SC..THydrogen-bonded Turntrans-112.6-9.5-173.4-55.5-71000113.6T332T332-Y334 PolarHBondContact O-N 3.46Å
335H89.6Confident90.8Very high57 Ų5743.5 Ų43.526%0.26421%0.211SC..  trans-124.3145.4-172.6-57.877.2000111.2E328 S330 T332E328-H335 IonicContact OE2-CD2 2.78Å; E328-H335 PolarHBondContact OE2-CD2 3.09Å; E328-H335 VanDerWaalsContact OE2-CD2 3.23Å; E328-H335 IonicContact OE2-NE2 3.57Å; S330-H335 PolarHBondContact OG-CE1 3.47Å; S330-H335 PolarHBondContact OG-ND1 3.49Å; T332-H335 PolarHBondContact O-N 3.18Å; T332-H335 PolarHBondContact OG1-CE1 3.03Å; T332-H335 PolarHBondContact OG1-ND1 2.81Å
336L92.4Very high91Very high14 Ų1442.4 Ų42.47%0.07321%0.206CC..  trans-130142.5170.1-69.3173.1000107.2F339 E559 I571 R572 I575 P578L336-F339 HydrophobicContact CB-CB 4.12Å; L336-F339 HydrophobicContact CB-CD1 4.34Å; L336-F339 HydrophobicContact CD1-CB 4.08Å; L336-F339 WeakPolarHBondContact O-CD1 3.19Å; L336-E559 HydrophobicContact CD1-CB 4.24Å; L336-E559 HydrophobicContact CD1-CG 3.81Å; L336-I571 HydrophobicContact CD1-CD1 4.16Å; L336-I571 HydrophobicContact CD1-CG1 3.9Å; L336-I571 HydrophobicContact CD1-CG2 4.44Å; L336-I571 HydrophobicContact CD2-CG2 4.25Å; L336-I571 HydrophobicContact CG-CD1 4.32Å; L336-I571 HydrophobicContact CG-CG1 4.23Å; L336-I571 HydrophobicContact CG-CG2 3.9Å; L336-R572 HydrophobicContact CD2-CG 4.07Å; L336-I575 HydrophobicContact CD1-CG2 4.26Å; L336-I575 HydrophobicContact CD2-CG2 4.47Å; L336-P578 HydrophobicContact CD2-CB 3.76Å
337A92.4Very high91.3Very high6 Ų640.6 Ų40.65%0.0520%0.2CC..SBendtrans-80.4-28.1173.600000112.5F280 F325 R326 R579F280-A337 HydrophobicContact CE2-CB 4.05Å; F280-A337 HydrophobicContact CZ-CB 3.89Å; F325-A337 CarbonylContact C-O 3.59Å; F325-A337 VanDerWaalsContact CA-O 3.26Å; F325-A337 WeakPolarHBondContact CA-O 3.48Å; R326-A337 PolarHBondContact N-O 3.45Å; R326-A337 WeakPolarHBondContact O-CA 3.09Å; A337-R579 PolarHBondContact N-O 2.94Å
338E93.9Very high91.6Very high46 Ų4647.5 Ų47.522%0.21522%0.222CC..EExtended strand (participates in β ladder)trans-125.2123.4172.6177.3-174.1168.900108T324 F325 R579T324-E338 WeakPolarHBondContact O-CA 3.38Å; F325-E338 HydrophobicContact CD1-CB 4.03Å; F325-E338 HydrophobicContact CD1-CG 4Å; F325-E338 HydrophobicContact CE1-CB 4.05Å; F325-E338 HydrophobicContact CE1-CG 3.56Å; F325-E338 HydrophobicContact CZ-CG 4.24Å; E338-R579 HydrophobicContact CB-CB 4.35Å; E338-R579 HydrophobicContact CB-CG 4.5Å; E338-R579 WeakPolarHBondContact OE2-CD 3.36Å; E338-R579 IonicContact OE2-CZ 2.91Å; E338-R579 IonicContact OE2-NE 3.64Å; E338-R579 PolarHBondContact OE2-NE 3.13Å
339F95.4Very high92.1Very high25 Ų2545.8 Ų45.811%0.1121%0.214CC..EExtended strand (participates in β ladder)trans-148.6172.1179.658.7-87.5000110.2P323 T324 R326 L336 M341 E559P323-F339 CarbonylContact C-O 3.51Å; P323-F339 WeakPolarHBondContact CA-O 3.26Å; T324-F339 HydrophobicContact CG2-CE1 4.17Å; T324-F339 HydrophobicContact CG2-CE2 3.79Å; T324-F339 HydrophobicContact CG2-CZ 3.52Å; T324-F339 PolarHBondContact N-O 3.07Å; T324-F339 PolarHBondContact O-N 3.34Å; R326-F339 HydrophobicContact CB-CE1 4.24Å; R326-F339 HydrophobicContact CG-CE1 3.89Å; R326-F339 HydrophobicContact CG-CZ 4.05Å; L336-F339 HydrophobicContact CB-CB 4.12Å; L336-F339 HydrophobicContact CB-CD1 4.34Å; L336-F339 HydrophobicContact CD1-CB 4.08Å; L336-F339 WeakPolarHBondContact O-CD1 3.19Å; F339-M341 HydrophobicContact CE2-CB 4.35Å; F339-M341 HydrophobicContact CE2-SD 4.05Å; F339-E559 WeakPolarHBondContact CB-OE2 3.47Å
340Y97.8Very high92.7Very high65 Ų6543.3 Ų43.326%0.25520%0.201SC..EExtended strand (participates in β ladder)trans-103.7134175.9-80.6-104.6000109.8K248 N322 P323 F558 E559K248-Y340 VanDerWaalsContact NZ-CD1 3.25Å; N322-Y340 WeakPolarHBondContact O-CA 3.36Å; P323-Y340 HydrophobicContact CB-CE1 4.5Å; Y340-F558 WeakPolarHBondContact O-CB 3.23Å; Y340-F558 PolarHBondContact O-N 3.37Å; Y340-E559 PolarHBondContact N-OE1 3.02Å; Y340-E559 PolarHBondContact N-OE2 2.8Å; Y340-E559 VanDerWaalsContact O-OE2 3.11Å
341M97.7Very high93.6Very high12 Ų1244.3 Ų44.36%0.05920%0.204CC..EExtended strand (participates in β ladder)trans-115.6129.3177-157.7152.564.500109.5L321 N322 T324 F339 E343 L556L321-M341 WeakPolarHBondContact CA-O 3.5Å; N322-M341 PolarHBondContact N-O 2.92Å; N322-M341 PolarHBondContact O-N 2.88Å; T324-M341 HydrophobicContact CG2-CE 3.92Å; T324-M341 VanDerWaalsContact OG1-CB 3.24Å; T324-M341 WeakPolarHBondContact OG1-CB 3.35Å; F339-M341 HydrophobicContact CE2-CB 4.35Å; F339-M341 HydrophobicContact CE2-SD 4.05Å; M341-E343 HydrophobicContact CB-CG 4.03Å; M341-E343 HydrophobicContact CE-CG 3.64Å; M341-E343 WeakPolarHBondContact CE-OE1 3.32Å; M341-E343 WeakPolarHBondContact CE-OE2 3.43Å; M341-E343 HydrophobicContact CG-CG 3.66Å; M341-E343 HydrophobicContact SD-CG 4.34Å; M341-L556 WeakPolarHBondContact CA-O 3.25Å
342L98.8Very high94.5Very high1 Ų140.1 Ų40.11%0.00518%0.181CC..EExtended strand (participates in β ladder)trans-82.7107.2163.6170.363.7000106.5V251 M255 Y319 T320 L321 I366 F554 L556V251-L342 HydrophobicContact CG1-CD1 3.83Å; V251-L342 HydrophobicContact CG1-CD2 3.7Å; V251-L342 HydrophobicContact CG1-CG 4.31Å; M255-L342 HydrophobicContact CE-CD1 4.47Å; M255-L342 HydrophobicContact CG-CD1 4.34Å; Y319-L342 HydrophobicContact CD2-CD1 3.57Å; Y319-L342 HydrophobicContact CE2-CD1 4.23Å; Y319-L342 HydrophobicContact CG-CD1 4.5Å; T320-L342 WeakPolarHBondContact O-CA 3.44Å; L321-L342 HydrophobicContact CD1-CB 4.05Å; L342-I366 HydrophobicContact CD2-CD1 4.2Å; L342-F554 HydrophobicContact CD2-CE2 4.44Å; L342-F554 HydrophobicContact CG-CE2 4.45Å; L342-L556 HydrophobicContact CB-CB 4.21Å; L342-L556 HydrophobicContact CB-CD2 4.28Å; L342-L556 PolarHBondContact N-O 3.46Å; L342-L556 PolarHBondContact O-N 3.45Å
343E98.6Very high95.1Very high7 Ų740.9 Ų40.93%0.03318%0.183CC..EExtended strand (participates in β ladder)trans-112.2135.4177.7-62.5179.582.600109.2S303 A304 Q305 L308 Y319 T320 M341 F554S303-E343 WeakPolarHBondContact CB-OE1 3.3Å; S303-E343 PolarHBondContact OG-OE1 3.01Å; A304-E343 VanDerWaalsContact CB-OE2 3.23Å; A304-E343 WeakPolarHBondContact CB-OE2 3.11Å; A304-E343 VanDerWaalsContact N-CD 3.26Å; A304-E343 PolarHBondContact N-OE1 2.96Å; A304-E343 PolarHBondContact N-OE2 3.38Å; Q305-E343 PolarHBondContact N-OE1 3.39Å; L308-E343 HydrophobicContact CD1-CB 3.46Å; L308-E343 VanDerWaalsContact CD1-CB 3.46Å; Y319-E343 CarbonylContact C-O 3.53Å; Y319-E343 WeakPolarHBondContact CA-O 3.48Å; Y319-E343 WeakPolarHBondContact CB-O 3.41Å; T320-E343 HydrophobicContact CG2-CB 4.2Å; T320-E343 PolarHBondContact N-O 2.77Å; T320-E343 PolarHBondContact O-N 3.13Å; M341-E343 HydrophobicContact CB-CG 4.03Å; M341-E343 HydrophobicContact CE-CG 3.64Å; M341-E343 WeakPolarHBondContact CE-OE1 3.32Å; M341-E343 WeakPolarHBondContact CE-OE2 3.43Å; M341-E343 HydrophobicContact CG-CG 3.66Å; M341-E343 HydrophobicContact SD-CG 4.34Å; E343-F554 VanDerWaalsContact CA-O 3.3Å; E343-F554 WeakPolarHBondContact CA-O 3.22Å
344A98.7Very high95.7Very high1 Ų136.3 Ų36.31%0.00817%0.172CC..EExtended strand (participates in β ladder)trans-139.8145.9179.200000111.1M255 Y260 V318 G553 F554M255-A344 HydrophobicContact CE-CB 3.77Å; Y260-A344 HydrophobicContact CD1-CB 4.09Å; Y260-A344 HydrophobicContact CE1-CB 3.76Å; V318-A344 WeakPolarHBondContact O-CA 3.41Å; A344-G553 CarbonylContact O-C 3.49Å; A344-G553 WeakPolarHBondContact O-CA 3.33Å; A344-F554 HydrophobicContact CB-CD1 4.18Å; A344-F554 HydrophobicContact CB-CE1 3.61Å; A344-F554 HydrophobicContact CB-CZ 3.81Å; A344-F554 PolarHBondContact N-O 3.19Å; A344-F554 PolarHBondContact O-N 3.46Å
345E98.6Very high96.2Very high1 Ų133 Ų331%0.00516%0.159CC..EExtended strand (participates in β ladder)trans-135137.4178.3-167.776.6-155.400109.1L308 E309 A312 V318 R517 H551 G552 G553L308-E345 HydrophobicContact CB-CB 3.76Å; E309-E345 HydrophobicContact CG-CG 4.28Å; A312-E345 HydrophobicContact CB-CB 4.06Å; A312-E345 HydrophobicContact CB-CG 3.71Å; V318-E345 HydrophobicContact CG2-CB 4.21Å; V318-E345 PolarHBondContact N-O 2.9Å; V318-E345 PolarHBondContact O-N 2.76Å; E345-R517 WeakPolarHBondContact OE1-CG 3.42Å; E345-R517 IonicContact OE1-NE 3.13Å; E345-R517 PolarHBondContact OE1-NE 3.47Å; E345-R517 IonicContact OE2-CZ 3.9Å; E345-R517 IonicContact OE2-NE 2.69Å; E345-R517 PolarHBondContact OE2-NE 2.98Å; E345-R517 IonicContact OE2-NH2 3.23Å; E345-R517 PolarHBondContact OE2-NH2 3.47Å; E345-H551 IonicContact OE1-CE1 3.55Å; E345-H551 IonicContact OE1-CG 2.75Å; E345-H551 IonicContact OE1-ND1 3.61Å; E345-H551 PolarHBondContact OE1-ND1 3.34Å; E345-G552 WeakPolarHBondContact OE1-CA 3.28Å; E345-G552 PolarHBondContact OE1-N 3.15Å; E345-G553 WeakPolarHBondContact OE2-CA 3.31Å
346S98.2Very high96.6Very high1 Ų130.3 Ų30.31%0.00715%0.146CC..EExtended strand (participates in β ladder)trans-140.7139.5-173.1-176.40000110.3Y260 S316 K317 E358 H551 G552Y260-S346 WeakPolarHBondContact OH-CB 3.46Å; S316-S346 WeakPolarHBondContact O-CA 3.4Å; K317-S346 WeakPolarHBondContact CE-OG 3.49Å; S346-E358 WeakPolarHBondContact CB-OE2 3.42Å; S346-E358 PolarHBondContact OG-OE2 2.89Å; S346-E358 VanDerWaalsContact OG-OE2 3.05Å; S346-H551 WeakPolarHBondContact O-CA 3.34Å; S346-H551 WeakPolarHBondContact O-CB 3.46Å; S346-G552 PolarHBondContact N-O 3.14Å; S346-G552 PolarHBondContact O-N 3.37Å
347I97.2Very high96.9Very high23 Ų2334.6 Ų34.612%0.11817%0.168CC..EExtended strand (participates in β ladder)trans-82.8167.2174.165.4168.9000112.3A312 S316 L349 V549 P550 H551A312-I347 HydrophobicContact CB-CG2 4.41Å; A312-I347 WeakPolarHBondContact O-CG2 3.29Å; S316-I347 PolarHBondContact O-N 2.88Å; S316-I347 WeakPolarHBondContact OG-CD1 3.33Å; I347-L349 VanDerWaalsContact C-N 3.28Å; I347-L349 PolarHBondContact O-N 2.85Å; I347-V549 HydrophobicContact CB-CG2 3.8Å; I347-V549 HydrophobicContact CG2-CG2 3.69Å; I347-P550 CarbonylContact C-O 3.55Å; I347-H551 HydrophobicContact CG2-CB 4.38Å
348Y93.3Very high97.2Very high176 Ų17635.1 Ų35.169%0.6917%0.17SC*.SBendtrans61.433-176.4-56.4-62.1000114P550Y348-P550 WeakPolarHBondContact CA-O 3.32Å; Y348-P550 PolarHBondContact N-O 2.78Å
349L95.6Very high97.4Very high9 Ų933 Ų335%0.04716%0.159CC..  trans-109.4102168.9-63.9178.6000107.9I347 L355 E358 V516 P550 H551I347-L349 VanDerWaalsContact C-N 3.28Å; I347-L349 PolarHBondContact O-N 2.85Å; L349-L355 HydrophobicContact CD1-CB 4.21Å; L349-L355 HydrophobicContact CD1-CD1 3.63Å; L349-L355 HydrophobicContact CD1-CG 4.44Å; L349-E358 WeakPolarHBondContact CD1-OE2 3.2Å; L349-E358 WeakPolarHBondContact CD2-OE2 3.43Å; L349-V516 VanDerWaalsContact O-CG1 3.3Å; L349-V516 WeakPolarHBondContact O-CG1 3.32Å; L349-P550 PolarHBondContact N-O 3.16Å; L349-P550 CarbonylContact O-C 3.39Å; L349-H551 CarbonylContact O-C 3.39Å; L349-H551 PolarHBondContact O-N 2.86Å
350D92.4Very high97.6Very high89 Ų8932.8 Ų32.848%0.47616%0.159SC..  trans-102.5-9.8-171.762.7-14.1000114.3P550D350-P550 HydrophobicContact CB-CB 3.79Å; D350-P550 HydrophobicContact CB-CG 4.3Å
351N97Very high97.6Very high47 Ų4733.1 Ų33.125%0.25116%0.164SC..SBendtrans-152.2161178.566.871.8000110.7D353 S354 L355 V516N351-D353 PolarHBondContact O-N 2.84Å; N351-D353 WeakPolarHBondContact OD1-CA 3.46Å; N351-D353 VanDerWaalsContact OD1-CB 3.3Å; N351-D353 WeakPolarHBondContact OD1-CB 3.16Å; N351-D353 PolarHBondContact OD1-N 3.36Å; N351-S354 PolarHBondContact ND2-OG 3.38Å; N351-S354 PolarHBondContact O-N 2.88Å; N351-S354 PolarHBondContact OD1-N 3.44Å; N351-S354 PolarHBondContact OD1-OG 2.78Å; N351-L355 PolarHBondContact O-N 3.48Å; N351-V516 VanDerWaalsContact C-CG2 3.44Å
352I98.1Very high97.7Very high1 Ų132.6 Ų32.61%0.00516%0.161CC..Hα-helixtrans-65.5-27.6-175.5-168.754.6000112.9L355 C356 T479 H480 E499 C500 A501I352-L355 HydrophobicContact CD1-CB 4.39Å; I352-L355 HydrophobicContact CD1-CD2 4.02Å; I352-L355 HydrophobicContact CD1-CG 4.46Å; I352-L355 PolarHBondContact O-N 2.81Å; I352-C356 WeakPolarHBondContact O-CB 3.04Å; I352-C356 PolarHBondContact O-N 2.9Å; I352-C356 PolarHBondContact O-SG 2.78Å; I352-T479 HydrophobicContact CG1-CG2 4.43Å; I352-H480 VanDerWaalsContact CG2-CE1 3.41Å; I352-H480 WeakPolarHBondContact CG2-CE1 3.45Å; I352-E499 WeakPolarHBondContact CB-OE2 3.35Å; I352-E499 WeakPolarHBondContact CG2-OE2 3.46Å; I352-E499 PolarHBondContact N-OE2 3.23Å; I352-C500 VanDerWaalsContact CD1-C 3.41Å; I352-A501 HydrophobicContact CD1-CB 3.76Å; I352-A501 HydrophobicContact CG1-CB 3.91Å
353D98.1Very high97.7Very high74 Ų7432.7 Ų32.740%0.39616%0.161SC..Hα-helixtrans-66.8-43.3179-80.9-48.9000111.9N351 C356 I357 R431N351-D353 PolarHBondContact O-N 2.84Å; N351-D353 WeakPolarHBondContact OD1-CA 3.46Å; N351-D353 VanDerWaalsContact OD1-CB 3.3Å; N351-D353 WeakPolarHBondContact OD1-CB 3.16Å; N351-D353 PolarHBondContact OD1-N 3.36Å; D353-C356 PolarHBondContact O-N 2.78Å; D353-I357 VanDerWaalsContact O-CG1 3.32Å; D353-I357 WeakPolarHBondContact O-CG1 3.3Å; D353-I357 PolarHBondContact O-N 3.01Å; D353-R431 VanDerWaalsContact CA-NH1 3.3Å; D353-R431 PolarHBondContact O-NH1 3.03Å; D353-R431 IonicContact OD1-CZ 2.88Å; D353-R431 IonicContact OD1-NH1 2.78Å; D353-R431 PolarHBondContact OD1-NH1 2.75Å
354S97.9Very high97.6Very high37 Ų3734.3 Ų34.326%0.25917%0.168SC..Hα-helixtrans-58.8-46173.5-63.20000111.1N351 I357 E358N351-S354 PolarHBondContact ND2-OG 3.38Å; N351-S354 PolarHBondContact O-N 2.88Å; N351-S354 PolarHBondContact OD1-N 3.44Å; N351-S354 PolarHBondContact OD1-OG 2.78Å; S354-I357 PolarHBondContact O-N 2.89Å; S354-E358 PolarHBondContact O-N 3.14Å; S354-E358 VanDerWaalsContact O-N 3.09Å
355L98.5Very high97.6Very high1 Ų138 Ų381%0.00518%0.184CC..Hα-helixtrans-64.9-41.4177.9175.557.5000111.8L349 N351 I352 I357 E358 I359 A514 S515 V516L349-L355 HydrophobicContact CD1-CB 4.21Å; L349-L355 HydrophobicContact CD1-CD1 3.63Å; L349-L355 HydrophobicContact CD1-CG 4.44Å; N351-L355 PolarHBondContact O-N 3.48Å; I352-L355 HydrophobicContact CD1-CB 4.39Å; I352-L355 HydrophobicContact CD1-CD2 4.02Å; I352-L355 HydrophobicContact CD1-CG 4.46Å; I352-L355 PolarHBondContact O-N 2.81Å; L355-I357 VanDerWaalsContact C-N 3.31Å; L355-I357 PolarHBondContact O-N 3.06Å; L355-E358 PolarHBondContact O-N 3.28Å; L355-I359 HydrophobicContact CD1-CD1 3.84Å; L355-I359 HydrophobicContact CD1-CG1 4.03Å; L355-I359 HydrophobicContact CG-CD1 3.8Å; L355-I359 HydrophobicContact CG-CG1 4.44Å; L355-I359 VanDerWaalsContact O-CG1 3.27Å; L355-I359 WeakPolarHBondContact O-CG1 3.31Å; L355-I359 PolarHBondContact O-N 3.15Å; L355-A514 HydrophobicContact CD2-CB 4.01Å; L355-A514 HydrophobicContact CG-CB 4.41Å; L355-S515 VanDerWaalsContact CD2-C 3.41Å; L355-S515 WeakPolarHBondContact CD2-O 3.41Å; L355-V516 HydrophobicContact CB-CG2 4.49Å; L355-V516 HydrophobicContact CD2-CG2 4.29Å
356C98.7Very high97.7Very high0 Ų038 Ų380%019%0.185CC..Hα-helixtrans-62.7-36.7175.4-69.60000112.2I352 D353 E360 R431 F477I352-C356 WeakPolarHBondContact O-CB 3.04Å; I352-C356 PolarHBondContact O-N 2.9Å; I352-C356 PolarHBondContact O-SG 2.78Å; D353-C356 PolarHBondContact O-N 2.78Å; C356-E360 VanDerWaalsContact O-CB 3.26Å; C356-E360 WeakPolarHBondContact O-CB 3.13Å; C356-E360 PolarHBondContact O-N 3.09Å; C356-R431 VanDerWaalsContact CB-CZ 3.43Å; C356-F477 HydrophobicContact CB-CD1 4.36Å; C356-F477 HydrophobicContact CB-CD2 4.24Å; C356-F477 HydrophobicContact CB-CE1 4.19Å; C356-F477 HydrophobicContact CB-CE2 4.05Å; C356-F477 HydrophobicContact CB-CG 4.38Å; C356-F477 HydrophobicContact CB-CZ 4.03Å
357I98.4Very high97.6Very high105 Ų10538 Ų3854%0.53818%0.184SC..Hα-helixtrans-62.8-45.9174.4-68.7169000110.3D353 S354 L355 E360 M361 R431D353-I357 VanDerWaalsContact O-CG1 3.32Å; D353-I357 WeakPolarHBondContact O-CG1 3.3Å; D353-I357 PolarHBondContact O-N 3.01Å; S354-I357 PolarHBondContact O-N 2.89Å; L355-I357 VanDerWaalsContact C-N 3.31Å; L355-I357 PolarHBondContact O-N 3.06Å; I357-E360 PolarHBondContact O-N 2.92Å; I357-M361 WeakPolarHBondContact O-CB 3.37Å; I357-M361 PolarHBondContact O-N 2.88Å; I357-R431 VanDerWaalsContact CG1-NH2 3.29Å; I357-R431 VanDerWaalsContact N-NH2 3.18Å
358E98.3Very high97.7Very high17 Ų1741.2 Ų41.28%0.07920%0.202CC..Hα-helixtrans-64.4-44.8179.6-175.9150.4-140.800111.7Y260 K317 S346 L349 S354 L355 M361 L362Y260-E358 WeakPolarHBondContact OH-CG 3.38Å; Y260-E358 PolarHBondContact OH-OE1 2.88Å; K317-E358 IonicContact NZ-OE1 3.74Å; K317-E358 PolarHBondContact NZ-OE1 2.78Å; S346-E358 WeakPolarHBondContact CB-OE2 3.42Å; S346-E358 PolarHBondContact OG-OE2 2.89Å; S346-E358 VanDerWaalsContact OG-OE2 3.05Å; L349-E358 WeakPolarHBondContact CD1-OE2 3.2Å; L349-E358 WeakPolarHBondContact CD2-OE2 3.43Å; S354-E358 PolarHBondContact O-N 3.14Å; S354-E358 VanDerWaalsContact O-N 3.09Å; L355-E358 PolarHBondContact O-N 3.28Å; E358-M361 HydrophobicContact CG-CE 4.47Å; E358-M361 PolarHBondContact O-N 3.3Å; E358-L362 HydrophobicContact CG-CD1 4.24Å; E358-L362 WeakPolarHBondContact O-CG 3.33Å; E358-L362 PolarHBondContact O-N 3.3Å
359I98.7Very high97.9Very high0 Ų035.5 Ų35.50%018%0.181CC..Hα-helixtrans-59.9-49.4175.4-67.2165.1000111.1L355 M361 L362 I363 F477 L503 V512 A514 F554L355-I359 HydrophobicContact CD1-CD1 3.84Å; L355-I359 HydrophobicContact CD1-CG1 4.03Å; L355-I359 HydrophobicContact CG-CD1 3.8Å; L355-I359 HydrophobicContact CG-CG1 4.44Å; L355-I359 VanDerWaalsContact O-CG1 3.27Å; L355-I359 WeakPolarHBondContact O-CG1 3.31Å; L355-I359 PolarHBondContact O-N 3.15Å; I359-M361 VanDerWaalsContact C-N 3.32Å; I359-M361 PolarHBondContact O-N 3.38Å; I359-L362 PolarHBondContact O-N 3.32Å; I359-I363 HydrophobicContact CG2-CD1 3.53Å; I359-I363 HydrophobicContact CG2-CG1 4.27Å; I359-I363 WeakPolarHBondContact O-CB 3.49Å; I359-I363 WeakPolarHBondContact O-CG1 3.49Å; I359-I363 PolarHBondContact O-N 3.27Å; I359-F477 HydrophobicContact CB-CE1 4.41Å; I359-F477 HydrophobicContact CB-CZ 4.12Å; I359-F477 HydrophobicContact CD1-CE1 4.42Å; I359-F477 HydrophobicContact CG2-CE1 4.07Å; I359-F477 HydrophobicContact CG2-CZ 3.88Å; I359-L503 HydrophobicContact CG2-CD2 4.01Å; I359-V512 HydrophobicContact CG2-CG1 4.46Å; I359-A514 HydrophobicContact CD1-CB 3.4Å; I359-A514 VanDerWaalsContact CD1-CB 3.4Å; I359-F554 HydrophobicContact CD1-CB 3.8Å; I359-F554 HydrophobicContact CD1-CD1 4.24Å; I359-F554 HydrophobicContact CD1-CG 4.18Å; I359-F554 HydrophobicContact CG1-CB 4.08Å; I359-F554 HydrophobicContact CG1-CD1 3.58Å; I359-F554 HydrophobicContact CG1-CE1 4.16Å; I359-F554 HydrophobicContact CG1-CG 3.88Å
360E98.6Very high98Very high22 Ų2235.1 Ų35.110%0.10318%0.179CC..Hα-helixtrans-58.7-44.6179.5178.5176.1164.900111.3C356 I357 K364 P428 F429 F477C356-E360 VanDerWaalsContact O-CB 3.26Å; C356-E360 WeakPolarHBondContact O-CB 3.13Å; C356-E360 PolarHBondContact O-N 3.09Å; I357-E360 PolarHBondContact O-N 2.92Å; E360-K364 HydrophobicContact CG-CD 3.96Å; E360-K364 HydrophobicContact CG-CG 4.34Å; E360-K364 VanDerWaalsContact O-CB 3.28Å; E360-K364 WeakPolarHBondContact O-CB 3.3Å; E360-K364 VanDerWaalsContact O-CG 3.28Å; E360-K364 WeakPolarHBondContact O-CG 3.13Å; E360-K364 PolarHBondContact O-N 3.42Å; E360-K364 VanDerWaalsContact OE1-CE 3.29Å; E360-K364 WeakPolarHBondContact OE1-CE 3.41Å; E360-K364 IonicContact OE1-NZ 3.75Å; E360-K364 PolarHBondContact OE1-NZ 2.95Å; E360-P428 WeakPolarHBondContact OE1-CA 3.46Å; E360-F429 HydrophobicContact CB-CD2 4.03Å; E360-F429 HydrophobicContact CB-CE2 4.33Å; E360-F429 HydrophobicContact CG-CB 4.41Å; E360-F429 HydrophobicContact CG-CD1 4.28Å; E360-F429 HydrophobicContact CG-CD2 3.76Å; E360-F429 HydrophobicContact CG-CE2 4.02Å; E360-F429 HydrophobicContact CG-CG 3.89Å; E360-F429 HydrophobicContact CG-CZ 4.38Å; E360-F429 PolarHBondContact OE1-N 2.91Å; E360-F429 VanDerWaalsContact OE1-N 3.15Å; E360-F429 PolarHBondContact OE2-N 3.5Å; E360-F477 HydrophobicContact CB-CE2 4.29Å
361M98.4Very high98.2Very high72 Ų7231.7 Ų31.736%0.35516%0.161SC..Hα-helixtrans-58.7-49.4176.5178.9-158.559.200111.6I357 E358 I359 K365I357-M361 WeakPolarHBondContact O-CB 3.37Å; I357-M361 PolarHBondContact O-N 2.88Å; E358-M361 HydrophobicContact CG-CE 4.47Å; E358-M361 PolarHBondContact O-N 3.3Å; I359-M361 VanDerWaalsContact C-N 3.32Å; I359-M361 PolarHBondContact O-N 3.38Å; M361-K365 HydrophobicContact CG-CD 4.44Å; M361-K365 WeakPolarHBondContact O-CG 3.42Å; M361-K365 PolarHBondContact O-N 3.21Å
362L98.8Very high98.1Very high1 Ų133.5 Ų33.51%0.00517%0.168CC..Hα-helixtrans-63-47.8-178.5-70.3170.6000111.4M255 C258 Y260 E358 I359 K365 I366 F554M255-L362 HydrophobicContact CE-CD1 4.48Å; M255-L362 HydrophobicContact SD-CD1 4.37Å; M255-L362 HydrophobicContact SD-CD2 4.02Å; C258-L362 HydrophobicContact CB-CD2 3.7Å; Y260-L362 HydrophobicContact CD2-CD2 4.29Å; Y260-L362 HydrophobicContact CE2-CD1 3.79Å; Y260-L362 HydrophobicContact CE2-CD2 4.02Å; Y260-L362 HydrophobicContact CE2-CG 4.44Å; E358-L362 HydrophobicContact CG-CD1 4.24Å; E358-L362 WeakPolarHBondContact O-CG 3.33Å; E358-L362 PolarHBondContact O-N 3.3Å; I359-L362 PolarHBondContact O-N 3.32Å; L362-K365 PolarHBondContact O-N 3.43Å; L362-I366 WeakPolarHBondContact O-CG1 3.26Å; L362-I366 PolarHBondContact O-N 2.96Å; L362-F554 HydrophobicContact CD1-CE1 3.67Å; L362-F554 HydrophobicContact CD1-CZ 3.89Å
363I98.5Very high97.9Very high2 Ų233.4 Ų33.41%0.0117%0.167CC..Hα-helixtrans-64.9-43.7-179.7-67.6175.1000110.9I359 K365 I366 L367 F429 L503 F505 V512 L556I359-I363 HydrophobicContact CG2-CD1 3.53Å; I359-I363 HydrophobicContact CG2-CG1 4.27Å; I359-I363 WeakPolarHBondContact O-CB 3.49Å; I359-I363 WeakPolarHBondContact O-CG1 3.49Å; I359-I363 PolarHBondContact O-N 3.27Å; I363-K365 VanDerWaalsContact C-N 3.3Å; I363-K365 PolarHBondContact O-N 3.06Å; I363-I366 PolarHBondContact O-N 3.49Å; I363-L367 HydrophobicContact CG2-CD1 3.54Å; I363-L367 HydrophobicContact CG2-CG 4.02Å; I363-L367 WeakPolarHBondContact O-CB 3.32Å; I363-L367 VanDerWaalsContact O-CG 3.26Å; I363-L367 WeakPolarHBondContact O-CG 3.31Å; I363-L367 PolarHBondContact O-N 3.23Å; I363-F429 HydrophobicContact CG2-CE2 4.33Å; I363-F429 HydrophobicContact CG2-CZ 4.29Å; I363-L503 HydrophobicContact CD1-CD2 3.45Å; I363-L503 VanDerWaalsContact CD1-CD2 3.45Å; I363-F505 HydrophobicContact CG2-CE2 4.46Å; I363-F505 HydrophobicContact CG2-CZ 3.73Å; I363-V512 HydrophobicContact CD1-CG2 3.85Å; I363-L556 HydrophobicContact CD1-CD1 4.08Å; I363-L556 HydrophobicContact CG1-CD1 4.05Å
364K98.5Very high97.7Very high41 Ų4130.1 Ų30.118%0.17815%0.149CC..Hα-helixtrans-59.2-40.7175.3-77.8-176.9168.5173.80112.1E360 L367 N368 L425 Q427 F429E360-K364 HydrophobicContact CG-CD 3.96Å; E360-K364 HydrophobicContact CG-CG 4.34Å; E360-K364 VanDerWaalsContact O-CB 3.28Å; E360-K364 WeakPolarHBondContact O-CB 3.3Å; E360-K364 VanDerWaalsContact O-CG 3.28Å; E360-K364 WeakPolarHBondContact O-CG 3.13Å; E360-K364 PolarHBondContact O-N 3.42Å; E360-K364 VanDerWaalsContact OE1-CE 3.29Å; E360-K364 WeakPolarHBondContact OE1-CE 3.41Å; E360-K364 IonicContact OE1-NZ 3.75Å; E360-K364 PolarHBondContact OE1-NZ 2.95Å; K364-L367 PolarHBondContact O-N 2.94Å; K364-N368 WeakPolarHBondContact O-CB 3.21Å; K364-N368 PolarHBondContact O-N 3.15Å; K364-L425 HydrophobicContact CB-CD2 3.91Å; K364-L425 HydrophobicContact CG-CD2 3.92Å; K364-L425 WeakPolarHBondContact O-CD2 3.48Å; K364-Q427 WeakPolarHBondContact CE-O 3.46Å; K364-Q427 PolarHBondContact NZ-O 3.44Å; K364-F429 HydrophobicContact CG-CE1 4.3Å; K364-F429 HydrophobicContact CG-CZ 4.16Å
365K98.7Very high97.2Very high78 Ų7828.6 Ų28.634%0.33914%0.139SC..Hα-helixtrans-63.7-45175.1-75.2178.2178.2-177.20112V254 C258 M361 L362 I363 N368 E369V254-K365 HydrophobicContact CG1-CB 3.49Å; V254-K365 VanDerWaalsContact CG1-CB 3.49Å; V254-K365 HydrophobicContact CG1-CD 4.23Å; V254-K365 HydrophobicContact CG2-CB 4.24Å; C258-K365 VanDerWaalsContact SG-CD 3.53Å; C258-K365 PolarHBondContact SG-NZ 3.23Å; M361-K365 HydrophobicContact CG-CD 4.44Å; M361-K365 WeakPolarHBondContact O-CG 3.42Å; M361-K365 PolarHBondContact O-N 3.21Å; L362-K365 PolarHBondContact O-N 3.43Å; I363-K365 VanDerWaalsContact C-N 3.3Å; I363-K365 PolarHBondContact O-N 3.06Å; K365-N368 PolarHBondContact O-N 2.99Å; K365-E369 WeakPolarHBondContact O-CG 2.84Å; K365-E369 PolarHBondContact O-N 3.44Å; K365-E369 VanDerWaalsContact O-N 3.11Å
366I98.7Very high96.6Very high3 Ų334.2 Ų34.22%0.01517%0.168CC..Hα-helixtrans-59.2-49.4175.9-69.5165.9000110.6I250 V251 V254 L342 L362 I363 E369 C370 L561I250-I366 HydrophobicContact CG2-CG2 4.27Å; V251-I366 HydrophobicContact CG2-CD1 4.24Å; V251-I366 HydrophobicContact CG2-CG2 4.21Å; V254-I366 HydrophobicContact CB-CG1 3.89Å; V254-I366 HydrophobicContact CG1-CG1 3.85Å; V254-I366 HydrophobicContact CG2-CG1 4.12Å; L342-I366 HydrophobicContact CD2-CD1 4.2Å; L362-I366 WeakPolarHBondContact O-CG1 3.26Å; L362-I366 PolarHBondContact O-N 2.96Å; I363-I366 PolarHBondContact O-N 3.49Å; I366-E369 PolarHBondContact O-N 2.9Å; I366-C370 PolarHBondContact O-N 3.23Å; I366-C370 PolarHBondContact O-SG 3.37Å; I366-L561 HydrophobicContact CG2-CD2 4.12Å
367L98.1Very high95.8Very high0 Ų036.2 Ų36.20%018%0.182CC..Hα-helixtrans-68.5-36.4-177.5-70.1179000112.7I363 K364 E369 C370 L371 L421 M424 L425 F505 L561 F564 V565I363-L367 HydrophobicContact CG2-CD1 3.54Å; I363-L367 HydrophobicContact CG2-CG 4.02Å; I363-L367 WeakPolarHBondContact O-CB 3.32Å; I363-L367 VanDerWaalsContact O-CG 3.26Å; I363-L367 WeakPolarHBondContact O-CG 3.31Å; I363-L367 PolarHBondContact O-N 3.23Å; K364-L367 PolarHBondContact O-N 2.94Å; L367-E369 VanDerWaalsContact C-N 3.35Å; L367-C370 WeakPolarHBondContact O-CB 3.49Å; L367-C370 PolarHBondContact O-N 3.15Å; L367-C370 VanDerWaalsContact O-N 3.15Å; L367-L371 PolarHBondContact O-N 2.78Å; L367-L421 HydrophobicContact CB-CD1 4.1Å; L367-L421 HydrophobicContact CD1-CD1 4.19Å; L367-L421 HydrophobicContact CD2-CD1 4.44Å; L367-L421 HydrophobicContact CG-CD1 4.49Å; L367-M424 HydrophobicContact CD1-CE 3.35Å; L367-L425 HydrophobicContact CB-CD2 4.03Å; L367-F505 HydrophobicContact CD1-CE1 3.89Å; L367-F505 HydrophobicContact CD1-CZ 4.17Å; L367-L561 HydrophobicContact CD2-CD1 3.94Å; L367-F564 HydrophobicContact CD1-CE1 4.17Å; L367-F564 HydrophobicContact CD2-CD1 4.12Å; L367-F564 HydrophobicContact CD2-CE1 4.02Å; L367-V565 HydrophobicContact CD2-CG2 3.66Å
368N98.2Very high94.7Very high90 Ų9036 Ų3648%0.48118%0.178SC..Hα-helixtrans-62.3-41.9173.6-178.681.9000111.8K364 K365 C370 L371 L425K364-N368 WeakPolarHBondContact O-CB 3.21Å; K364-N368 PolarHBondContact O-N 3.15Å; K365-N368 PolarHBondContact O-N 2.99Å; N368-C370 VanDerWaalsContact C-N 3.3Å; N368-L371 VanDerWaalsContact O-CB 3.3Å; N368-L371 WeakPolarHBondContact O-CB 3.47Å; N368-L371 PolarHBondContact O-N 3.06Å; N368-L425 HydrophobicContact CB-CD1 4.1Å
369E98.2Very high93.1Very high57 Ų5741 Ų4127%0.26621%0.214SC..Hα-helixtrans-65.8-34.8173.1-70.9-77.5162.200111.6I250 K253 V254 K365 I366 L367 L371 E372I250-E369 HydrophobicContact CB-CB 4.49Å; I250-E369 HydrophobicContact CD1-CB 4.3Å; I250-E369 HydrophobicContact CG1-CB 4.3Å; I250-E369 HydrophobicContact CG2-CB 3.47Å; I250-E369 VanDerWaalsContact CG2-CB 3.47Å; I250-E369 HydrophobicContact CG2-CG 4.33Å; K253-E369 IonicContact NZ-OE1 2.73Å; K253-E369 PolarHBondContact NZ-OE1 3.08Å; K253-E369 IonicContact NZ-OE2 3.69Å; K253-E369 PolarHBondContact NZ-OE2 3.44Å; V254-E369 HydrophobicContact CG2-CG 3.99Å; K365-E369 WeakPolarHBondContact O-CG 2.84Å; K365-E369 PolarHBondContact O-N 3.44Å; K365-E369 VanDerWaalsContact O-N 3.11Å; I366-E369 PolarHBondContact O-N 2.9Å; L367-E369 VanDerWaalsContact C-N 3.35Å; E369-L371 PolarHBondContact O-N 3.4Å; E369-E372 WeakPolarHBondContact O-CG 3.41Å; E369-E372 PolarHBondContact O-N 2.81Å
370C97.7Very high91.5Very high0 Ų045.8 Ų45.80%024%0.239CC..Hα-helixtrans-67.3-14175-65.20000113.7I366 L367 N368 E372 V373 V565I366-C370 PolarHBondContact O-N 3.23Å; I366-C370 PolarHBondContact O-SG 3.37Å; L367-C370 WeakPolarHBondContact O-CB 3.49Å; L367-C370 PolarHBondContact O-N 3.15Å; L367-C370 VanDerWaalsContact O-N 3.15Å; N368-C370 VanDerWaalsContact C-N 3.3Å; C370-E372 PolarHBondContact O-N 2.6Å; C370-V373 WeakPolarHBondContact O-CG2 3.46Å; C370-V373 PolarHBondContact O-N 2.96Å; C370-V373 VanDerWaalsContact O-N 3.12Å; C370-V565 HydrophobicContact CB-CG1 3.96Å
371L96.5Very high90.2Very high17 Ų1750.9 Ų50.99%0.08926%0.263CS..G310 helixtrans-57.4-22.5175.8-73.6169.9000112.7L367 N368 E369 V373 Y374 R418 L421 E422 L425L367-L371 PolarHBondContact O-N 2.78Å; N368-L371 VanDerWaalsContact O-CB 3.3Å; N368-L371 WeakPolarHBondContact O-CB 3.47Å; N368-L371 PolarHBondContact O-N 3.06Å; E369-L371 PolarHBondContact O-N 3.4Å; L371-V373 PolarHBondContact O-N 2.85Å; L371-Y374 PolarHBondContact O-N 2.82Å; L371-R418 HydrophobicContact CD2-CG 4.03Å; L371-R418 PolarHBondContact O-NH1 3.27Å; L371-L421 HydrophobicContact CD2-CB 4.22Å; L371-L421 HydrophobicContact CD2-CD2 3.74Å; L371-L421 HydrophobicContact CD2-CG 3.95Å; L371-L421 HydrophobicContact CG-CD2 4.31Å; L371-E422 HydrophobicContact CD1-CG 4.11Å; L371-E422 HydrophobicContact CD2-CG 3.75Å; L371-L425 HydrophobicContact CD1-CD1 3.78Å; L371-L425 HydrophobicContact CG-CD1 4.24Å
372E94.4Very high89.4Confident85 Ų8548.8 Ų48.840%0.39725%0.253SS..G310 helixtrans-66.6-21.1179.277.1178.416800114.1H246 E369 C370 Y374 L385H246-E372 IonicContact CE1-OE1 2.66Å; H246-E372 PolarHBondContact CE1-OE1 3Å; H246-E372 IonicContact NE2-OE1 3.49Å; H246-E372 PolarHBondContact NE2-OE1 3.14Å; E369-E372 WeakPolarHBondContact O-CG 3.41Å; E369-E372 PolarHBondContact O-N 2.81Å; C370-E372 PolarHBondContact O-N 2.6Å; E372-Y374 VanDerWaalsContact C-N 3.26Å; E372-Y374 PolarHBondContact O-N 3.17Å; E372-L385 HydrophobicContact CG-CD1 4.46Å
373V93.8Very high88.6Confident0 Ų052 Ų520%027%0.271CS..G310 helixtrans-75.8-17.5178.9-51.30000112.4M243 C370 L371 Q386 L389 V565M243-V373 HydrophobicContact CE-CB 4.21Å; M243-V373 HydrophobicContact CE-CG1 4.28Å; M243-V373 HydrophobicContact SD-CB 4.3Å; M243-V373 HydrophobicContact SD-CG1 3.95Å; C370-V373 WeakPolarHBondContact O-CG2 3.46Å; C370-V373 PolarHBondContact O-N 2.96Å; C370-V373 VanDerWaalsContact O-N 3.12Å; L371-V373 PolarHBondContact O-N 2.85Å; V373-Q386 WeakPolarHBondContact O-CA 3.45Å; V373-Q386 WeakPolarHBondContact O-CG 2.99Å; V373-L389 HydrophobicContact CG2-CD2 4.32Å; V373-L389 VanDerWaalsContact O-CD2 3.29Å; V373-L389 WeakPolarHBondContact O-CD2 3.08Å; V373-V565 HydrophobicContact CG2-CG1 4.43Å
374Y93.8Very high88Confident4 Ų453.7 Ų53.72%0.01629%0.285CS..SBendtrans-92.9146.2-178.8-60.2-92.3000112L371 E372 Q386 L389 A414 L417 R418 L421 V565L371-Y374 PolarHBondContact O-N 2.82Å; E372-Y374 VanDerWaalsContact C-N 3.26Å; E372-Y374 PolarHBondContact O-N 3.17Å; Y374-Q386 PolarHBondContact O-NE2 2.85Å; Y374-L389 HydrophobicContact CD1-CD2 3.54Å; Y374-L389 HydrophobicContact CE1-CD2 3.95Å; Y374-L389 HydrophobicContact CG-CD2 4.02Å; Y374-A414 WeakPolarHBondContact CD1-O 3.37Å; Y374-L417 HydrophobicContact CD1-CB 4.42Å; Y374-L417 HydrophobicContact CE1-CB 3.81Å; Y374-L417 HydrophobicContact CE1-CD1 4.44Å; Y374-R418 HydrophobicContact CD1-CB 4.22Å; Y374-R418 HydrophobicContact CG-CB 4.05Å; Y374-L421 HydrophobicContact CE2-CD2 3.81Å; Y374-V565 PolarHBondContact OH-O 3.22Å
375P88.3Confident87.6Confident5 Ų553.6 Ų53.63%0.03229%0.286CS..  trans-60.4153.4166.727.8-33.8000110.8L382 I411 A414 L415 R418P375-L382 HydrophobicContact CB-CD2 3.85Å; P375-I411 HydrophobicContact CG-CG2 4.49Å; P375-A414 HydrophobicContact CG-CB 3.91Å; P375-L415 HydrophobicContact CB-CD2 4.03Å; P375-L415 HydrophobicContact CG-CD2 3.95Å; P375-L415 HydrophobicContact CG-CG 4.09Å; P375-L415 WeakPolarHBondContact O-CD2 3.34Å; P375-R418 WeakPolarHBondContact O-CD 3.4Å
376I85.3Confident87.2Confident120 Ų12050.9 Ų50.962%0.61527%0.274SS*.SBendtrans-101.7-26.4177.4-57.3170000111
377S82.4Confident86.6Confident42 Ų4251 Ų5129%0.29428%0.275SS..  trans-155.4161.3177.9640000111C379 N380S377-C379 VanDerWaalsContact C-N 3.28Å; S377-C379 PolarHBondContact O-N 3.43Å; S377-N380 PolarHBondContact OG-ND2 3.1Å
378E74.3Confident86.3Confident100 Ų10051.2 Ų51.247%0.46728%0.276SS..THydrogen-bonded Turntrans-62.9-31.7176.8-69.2178.2-134.400113.2R408 L415E378-R408 IonicContact OE2-CZ 3.71Å; E378-R408 IonicContact OE2-NE 3.73Å; E378-R408 PolarHBondContact OE2-NE 3.48Å; E378-R408 IonicContact OE2-NH2 2.68Å; E378-R408 PolarHBondContact OE2-NH2 3.49Å; E378-L415 HydrophobicContact CG-CD1 3.76Å
379C64.1Low85.9Confident122 Ų12247 Ų4782%0.82425%0.253SS*.THydrogen-bonded Turntrans-90.41.8-164.5-62.20000115.4S377S377-C379 VanDerWaalsContact C-N 3.28Å; S377-C379 PolarHBondContact O-N 3.43Å
380N65.3Low85.4Confident100 Ų10044.5 Ų44.554%0.53524%0.242SC..SBendtrans-97.7143.8-176.7-73.2-16.6000112.2S377 L382S377-N380 PolarHBondContact OG-ND2 3.1Å; N380-L382 PolarHBondContact O-N 2.67Å
381E73Confident85Confident130 Ų13044.5 Ų44.561%0.60724%0.242SC*.PPolyproline II helixtrans-58.4125.6162.9-71.7179.5-160.700109.1Y163Y163-E381 PolarHBondContact OH-OE1 3.39Å; Y163-E381 PolarHBondContact OH-OE2 3.14Å
382L80.9Confident84.7Confident27 Ų2743.7 Ų43.714%0.14124%0.238CC..PPolyproline II helixtrans-75.8135.2-179-60.1-175.8000110.3P375 N380 Q386 N387 L390 I411P375-L382 HydrophobicContact CB-CD2 3.85Å; N380-L382 PolarHBondContact O-N 2.67Å; L382-Q386 HydrophobicContact CB-CB 3.96Å; L382-Q386 HydrophobicContact CD2-CB 4.14Å; L382-Q386 HydrophobicContact CG-CB 4.45Å; L382-N387 PolarHBondContact O-ND2 2.83Å; L382-L390 HydrophobicContact CD1-CD2 4.15Å; L382-I411 HydrophobicContact CD1-CD1 4.26Å; L382-I411 HydrophobicContact CD1-CG1 4.35Å
383N82.5Confident84.4Confident70 Ų7041.5 Ų41.537%0.37423%0.226SC..  trans-75176.2171.970.942.5000111.7L385 Q386 N387N383-L385 VanDerWaalsContact C-N 3.31Å; N383-L385 PolarHBondContact O-N 3.11Å; N383-L385 WeakPolarHBondContact OD1-CA 3.49Å; N383-L385 WeakPolarHBondContact OD1-CB 3.43Å; N383-L385 PolarHBondContact OD1-N 2.84Å; N383-Q386 VanDerWaalsContact ND2-CD 3.34Å; N383-Q386 PolarHBondContact ND2-OE1 3.48Å; N383-Q386 PolarHBondContact O-N 3.19Å; N383-Q386 WeakPolarHBondContact OD1-CG 3.27Å; N383-Q386 PolarHBondContact OD1-N 2.9Å; N383-N387 PolarHBondContact O-N 3.09Å; N383-N387 PolarHBondContact O-ND2 2.88Å
384A84.7Confident83.9Confident37 Ų3741.8 Ų41.831%0.30623%0.228SC..Hα-helixtrans-56.8-42-177.900000113.3P113 Y114 N387 D388P113-A384 HydrophobicContact CG-CB 4.33Å; P113-A384 WeakPolarHBondContact CG-O 3.3Å; Y114-A384 HydrophobicContact CE2-CB 3.79Å; Y114-A384 WeakPolarHBondContact OH-CA 3.37Å; Y114-A384 PolarHBondContact OH-N 2.98Å; Y114-A384 VanDerWaalsContact OH-N 3.12Å; A384-N387 PolarHBondContact O-N 3.31Å; A384-D388 WeakPolarHBondContact O-CB 3.46Å; A384-D388 PolarHBondContact O-N 2.79Å
385L90.6Very high83.6Confident39 Ų3942 Ų4220%0.20423%0.229CC..Hα-helixtrans-67.7-44.5-179.7-65.8169.3000110.9M243 H246 E372 N383 N387 D388 L389M243-L385 VanDerWaalsContact CE-C 3.49Å; M243-L385 HydrophobicContact CE-CB 3.8Å; M243-L385 HydrophobicContact CE-CD2 3.86Å; M243-L385 HydrophobicContact CE-CG 4.47Å; M243-L385 WeakPolarHBondContact CE-O 3.15Å; M243-L385 HydrophobicContact SD-CD2 4.36Å; H246-L385 HydrophobicContact CB-CD2 4.44Å; H246-L385 WeakPolarHBondContact CE1-CD1 3.35Å; H246-L385 WeakPolarHBondContact ND1-CD2 3.44Å; E372-L385 HydrophobicContact CG-CD1 4.46Å; N383-L385 VanDerWaalsContact C-N 3.31Å; N383-L385 PolarHBondContact O-N 3.11Å; N383-L385 WeakPolarHBondContact OD1-CA 3.49Å; N383-L385 WeakPolarHBondContact OD1-CB 3.43Å; N383-L385 PolarHBondContact OD1-N 2.84Å; L385-N387 VanDerWaalsContact C-N 3.29Å; L385-N387 PolarHBondContact O-N 2.99Å; L385-D388 WeakPolarHBondContact O-CB 3.4Å; L385-D388 PolarHBondContact O-N 3.36Å; L385-D388 VanDerWaalsContact O-N 3.11Å; L385-L389 PolarHBondContact O-N 3.25Å
386Q89.5Confident83.7Confident21 Ų2141.8 Ų41.810%0.09823%0.227CC..Hα-helixtrans-65.2-36.1179.1-68.2164.9-18.900111.9V373 Y374 L382 N383 L389 L390V373-Q386 WeakPolarHBondContact O-CA 3.45Å; V373-Q386 WeakPolarHBondContact O-CG 2.99Å; Y374-Q386 PolarHBondContact O-NE2 2.85Å; L382-Q386 HydrophobicContact CB-CB 3.96Å; L382-Q386 HydrophobicContact CD2-CB 4.14Å; L382-Q386 HydrophobicContact CG-CB 4.45Å; N383-Q386 VanDerWaalsContact ND2-CD 3.34Å; N383-Q386 PolarHBondContact ND2-OE1 3.48Å; N383-Q386 PolarHBondContact O-N 3.19Å; N383-Q386 WeakPolarHBondContact OD1-CG 3.27Å; N383-Q386 PolarHBondContact OD1-N 2.9Å; Q386-L389 PolarHBondContact O-N 3.13Å; Q386-L390 WeakPolarHBondContact O-CB 3.4Å; Q386-L390 PolarHBondContact O-N 3.5Å
387N86.4Confident83.7Confident5 Ų536.6 Ų36.63%0.02720%0.203CC..Hα-helixtrans-66.4-40.1171.5-78.1-62.8000112.2P113 Y114 V160 L382 N383 A384 L385 L390 L391P113-N387 HydrophobicContact CB-CB 4.16Å; P113-N387 HydrophobicContact CG-CB 3.84Å; Y114-N387 PolarHBondContact OH-ND2 3.45Å; V160-N387 HydrophobicContact CG2-CB 4.08Å; L382-N387 PolarHBondContact O-ND2 2.83Å; N383-N387 PolarHBondContact O-N 3.09Å; N383-N387 PolarHBondContact O-ND2 2.88Å; A384-N387 PolarHBondContact O-N 3.31Å; L385-N387 VanDerWaalsContact C-N 3.29Å; L385-N387 PolarHBondContact O-N 2.99Å; N387-L390 PolarHBondContact O-N 3.2Å; N387-L391 WeakPolarHBondContact O-CG 3.43Å; N387-L391 PolarHBondContact O-N 3.47Å
388D91.6Very high83.2Confident4 Ų439.4 Ų39.42%0.02122%0.223CC..Hα-helixtrans-61-45.5174.1-85.8-16.3000111.7P113 A239 R242 M243 A384 L385 L390 L391 I392P113-D388 WeakPolarHBondContact CB-OD1 3.44Å; A239-D388 HydrophobicContact CB-CB 3.82Å; A239-D388 VanDerWaalsContact CB-OD1 3.22Å; A239-D388 WeakPolarHBondContact CB-OD1 3.06Å; R242-D388 IonicContact CZ-OD1 3.98Å; R242-D388 IonicContact CZ-OD2 2.81Å; R242-D388 IonicContact NE-OD1 3.26Å; R242-D388 PolarHBondContact NE-OD1 2.78Å; R242-D388 IonicContact NE-OD2 2.9Å; R242-D388 PolarHBondContact NE-OD2 2.85Å; R242-D388 IonicContact NH2-OD1 3.44Å; R242-D388 PolarHBondContact NH2-OD1 3.19Å; R242-D388 IonicContact NH2-OD2 3.35Å; M243-D388 HydrophobicContact CE-CB 3.47Å; M243-D388 VanDerWaalsContact CE-CB 3.47Å; M243-D388 HydrophobicContact CG-CB 4.18Å; A384-D388 WeakPolarHBondContact O-CB 3.46Å; A384-D388 PolarHBondContact O-N 2.79Å; L385-D388 WeakPolarHBondContact O-CB 3.4Å; L385-D388 PolarHBondContact O-N 3.36Å; L385-D388 VanDerWaalsContact O-N 3.11Å; D388-L390 VanDerWaalsContact C-N 3.31Å; D388-L390 PolarHBondContact O-N 3.36Å; D388-L391 PolarHBondContact O-N 2.86Å; D388-I392 WeakPolarHBondContact O-CD1 3.38Å; D388-I392 VanDerWaalsContact O-CG1 3.26Å; D388-I392 WeakPolarHBondContact O-CG1 3.43Å; D388-I392 PolarHBondContact O-N 3.23Å
389L91.5Very high82.5Confident1 Ų140 Ų401%0.00523%0.226CC..Hα-helixtrans-58.3-45.9174.617764.7000110.7M243 V373 Y374 L385 Q386 L391 I392 R393 A414 L566M243-L389 HydrophobicContact CE-CB 4.41Å; V373-L389 HydrophobicContact CG2-CD2 4.32Å; V373-L389 VanDerWaalsContact O-CD2 3.29Å; V373-L389 WeakPolarHBondContact O-CD2 3.08Å; Y374-L389 HydrophobicContact CD1-CD2 3.54Å; Y374-L389 HydrophobicContact CE1-CD2 3.95Å; Y374-L389 HydrophobicContact CG-CD2 4.02Å; L385-L389 PolarHBondContact O-N 3.25Å; Q386-L389 PolarHBondContact O-N 3.13Å; L389-L391 PolarHBondContact O-N 3.05Å; L389-I392 PolarHBondContact O-N 2.92Å; L389-R393 HydrophobicContact CD1-CG 4.04Å; L389-R393 HydrophobicContact CG-CG 4.39Å; L389-R393 WeakPolarHBondContact O-CG 3.49Å; L389-R393 PolarHBondContact O-N 3.09Å; L389-A414 HydrophobicContact CD2-CB 4.4Å; L389-L566 HydrophobicContact CD1-CD2 3.9Å
390L87Confident81.9Confident6 Ų639.3 Ų39.33%0.03122%0.222CC..Hα-helixtrans-61.3-43.2179.8-175.667.4000111.9L153 L382 Q386 N387 D388 R393 T394 K407 L410 I411L153-L390 HydrophobicContact CB-CD2 4.28Å; L153-L390 HydrophobicContact CD2-CB 4.47Å; L153-L390 HydrophobicContact CD2-CD2 3.72Å; L153-L390 HydrophobicContact CD2-CG 3.59Å; L382-L390 HydrophobicContact CD1-CD2 4.15Å; Q386-L390 WeakPolarHBondContact O-CB 3.4Å; Q386-L390 PolarHBondContact O-N 3.5Å; N387-L390 PolarHBondContact O-N 3.2Å; D388-L390 VanDerWaalsContact C-N 3.31Å; D388-L390 PolarHBondContact O-N 3.36Å; L390-R393 PolarHBondContact O-N 3.4Å; L390-T394 WeakPolarHBondContact O-CB 3.41Å; L390-T394 PolarHBondContact O-N 2.97Å; L390-T394 PolarHBondContact O-OG1 2.95Å; L390-K407 HydrophobicContact CD2-CD 4.42Å; L390-K407 HydrophobicContact CD2-CG 3.98Å; L390-L410 HydrophobicContact CD1-CB 3.43Å; L390-L410 VanDerWaalsContact CD1-CB 3.43Å; L390-L410 HydrophobicContact CD1-CD1 4.24Å; L390-L410 HydrophobicContact CD1-CG 4.5Å; L390-I411 HydrophobicContact CD1-CG1 4.28Å
391L88.1Confident80.7Confident0 Ų043 Ų430%024%0.236CC..Hα-helixtrans-58.1-49.6173.7-72.3170.3000111.2P113 L153 P158 P235 A239 N387 D388 L389 R393 T394 F395P113-L391 HydrophobicContact CB-CD1 3.77Å; L153-L391 HydrophobicContact CD1-CD2 3.76Å; L153-L391 HydrophobicContact CD2-CD2 4.11Å; P158-L391 WeakPolarHBondContact O-CD2 3.26Å; P235-L391 HydrophobicContact CB-CD1 4.01Å; P235-L391 HydrophobicContact CB-CD2 3.94Å; A239-L391 HydrophobicContact CB-CB 4.15Å; A239-L391 HydrophobicContact CB-CD1 4.16Å; N387-L391 WeakPolarHBondContact O-CG 3.43Å; N387-L391 PolarHBondContact O-N 3.47Å; D388-L391 PolarHBondContact O-N 2.86Å; L389-L391 PolarHBondContact O-N 3.05Å; L391-R393 VanDerWaalsContact C-N 3.34Å; L391-R393 PolarHBondContact O-N 3.46Å; L391-T394 PolarHBondContact O-N 3.4Å; L391-F395 HydrophobicContact CD2-CE2 4.31Å; L391-F395 WeakPolarHBondContact O-CD2 3.32Å; L391-F395 PolarHBondContact O-N 3.21Å
392I91.7Very high79.2Confident0 Ų042 Ų420%024%0.244CC..Hα-helixtrans-58.4-48.6179.6-68.2163.3000110.5A239 M240 M243 D388 L389 T394 F395 L396 G397 L566 I568A239-I392 HydrophobicContact CB-CD1 4.23Å; A239-I392 HydrophobicContact CB-CG1 3.96Å; M240-I392 HydrophobicContact CB-CD1 4.22Å; M240-I392 HydrophobicContact CB-CG1 4.2Å; M243-I392 HydrophobicContact CB-CD1 4Å; M243-I392 HydrophobicContact CG-CD1 3.6Å; D388-I392 WeakPolarHBondContact O-CD1 3.38Å; D388-I392 VanDerWaalsContact O-CG1 3.26Å; D388-I392 WeakPolarHBondContact O-CG1 3.43Å; D388-I392 PolarHBondContact O-N 3.23Å; L389-I392 PolarHBondContact O-N 2.92Å; I392-T394 VanDerWaalsContact C-N 3.34Å; I392-T394 PolarHBondContact O-N 3.35Å; I392-F395 PolarHBondContact O-N 3.44Å; I392-L396 HydrophobicContact CG2-CB 4.31Å; I392-L396 HydrophobicContact CG2-CD1 4.32Å; I392-L396 WeakPolarHBondContact O-CA 3.38Å; I392-L396 VanDerWaalsContact O-CB 3.31Å; I392-L396 WeakPolarHBondContact O-CB 3.36Å; I392-L396 PolarHBondContact O-N 3.37Å; I392-G397 PolarHBondContact O-N 2.74Å; I392-L566 HydrophobicContact CD1-CD1 4.21Å; I392-L566 HydrophobicContact CD1-CD2 4.47Å; I392-L566 HydrophobicContact CG2-CB 4.12Å; I392-I568 HydrophobicContact CG2-CD1 3.7Å; I392-I568 HydrophobicContact CG2-CG1 3.48Å; I392-I568 VanDerWaalsContact CG2-CG1 3.48Å
393R87.4Confident77.5Confident38 Ų3846 Ų4614%0.14327%0.265CS..Hα-helixtrans-66.4-36.1-177.9-69.5-158.368.4178.3-2113.3L389 L390 L391 F395 G397 L410 S413 L417L389-R393 HydrophobicContact CD1-CG 4.04Å; L389-R393 HydrophobicContact CG-CG 4.39Å; L389-R393 WeakPolarHBondContact O-CG 3.49Å; L389-R393 PolarHBondContact O-N 3.09Å; L390-R393 PolarHBondContact O-N 3.4Å; L391-R393 VanDerWaalsContact C-N 3.34Å; L391-R393 PolarHBondContact O-N 3.46Å; R393-F395 VanDerWaalsContact C-N 3.31Å; R393-F395 PolarHBondContact O-N 3.5Å; R393-G397 PolarHBondContact O-N 3.18Å; R393-L410 HydrophobicContact CB-CD2 4.44Å; R393-S413 PolarHBondContact NH1-O 2.87Å; R393-S413 PolarHBondContact NH2-OG 2.95Å; R393-L417 VanDerWaalsContact CZ-CD1 3.4Å
394T83.7Confident75.8Confident6 Ų647.2 Ų47.24%0.03728%0.28CS..Hα-helixtrans-60.5-42176.5-51.40000111.5L153 I155 L390 L391 I392 Q399 L410L153-T394 VanDerWaalsContact CD2-OG1 3.3Å; L153-T394 WeakPolarHBondContact CD2-OG1 3.04Å; I155-T394 HydrophobicContact CG1-CG2 4.39Å; L390-T394 WeakPolarHBondContact O-CB 3.41Å; L390-T394 PolarHBondContact O-N 2.97Å; L390-T394 PolarHBondContact O-OG1 2.95Å; L391-T394 PolarHBondContact O-N 3.4Å; I392-T394 VanDerWaalsContact C-N 3.34Å; I392-T394 PolarHBondContact O-N 3.35Å; T394-Q399 PolarHBondContact O-NE2 3.25Å; T394-L410 HydrophobicContact CG2-CD1 3.94Å; T394-L410 WeakPolarHBondContact OG1-CD1 3.5Å
395F86.4Confident74.2Confident8 Ų851.4 Ų51.44%0.03529%0.293CS..Hα-helixtrans-110.1-27.8-165.8-65.7-65.7000114.7I155 P158 E236 L391 I392 R393I155-F395 HydrophobicContact CG2-CE1 4.46Å; P158-F395 HydrophobicContact CB-CE1 4.38Å; P158-F395 HydrophobicContact CB-CE2 3.44Å; P158-F395 VanDerWaalsContact CB-CE2 3.44Å; P158-F395 HydrophobicContact CB-CZ 3.36Å; E236-F395 HydrophobicContact CB-CB 3.78Å; E236-F395 HydrophobicContact CB-CD2 3.97Å; E236-F395 HydrophobicContact CB-CG 4.24Å; E236-F395 HydrophobicContact CG-CB 3.59Å; E236-F395 HydrophobicContact CG-CD2 4.41Å; E236-F395 HydrophobicContact CG-CG 4.24Å; L391-F395 HydrophobicContact CD2-CE2 4.31Å; L391-F395 WeakPolarHBondContact O-CD2 3.32Å; L391-F395 PolarHBondContact O-N 3.21Å; I392-F395 PolarHBondContact O-N 3.44Å; R393-F395 VanDerWaalsContact C-N 3.31Å; R393-F395 PolarHBondContact O-N 3.5Å
396L90.6Very high72.6Confident2 Ų250.5 Ų50.51%0.0129%0.289CS..Hα-helixtrans-117-5.3-174.8-50.1-179.5000112.8L219 E236 F237 M240 I392 I568 A569 D573L219-L396 HydrophobicContact CD2-CD2 3.81Å; E236-L396 HydrophobicContact CB-CD1 4.3Å; E236-L396 HydrophobicContact CB-CG 4.22Å; E236-L396 HydrophobicContact CG-CD1 4.14Å; E236-L396 HydrophobicContact CG-CD2 3.89Å; E236-L396 HydrophobicContact CG-CG 3.91Å; F237-L396 HydrophobicContact CD1-CD1 4.33Å; F237-L396 HydrophobicContact CE1-CD1 4.12Å; F237-L396 HydrophobicContact CE1-CD2 3.93Å; F237-L396 HydrophobicContact CE2-CD2 4.12Å; F237-L396 HydrophobicContact CZ-CD2 3.61Å; M240-L396 HydrophobicContact CB-CD1 4.27Å; I392-L396 HydrophobicContact CG2-CB 4.31Å; I392-L396 HydrophobicContact CG2-CD1 4.32Å; I392-L396 WeakPolarHBondContact O-CA 3.38Å; I392-L396 VanDerWaalsContact O-CB 3.31Å; I392-L396 WeakPolarHBondContact O-CB 3.36Å; I392-L396 PolarHBondContact O-N 3.37Å; L396-I568 HydrophobicContact CB-CG1 4.24Å; L396-I568 HydrophobicContact CB-CG2 4.4Å; L396-A569 PolarHBondContact O-N 2.88Å; L396-A569 VanDerWaalsContact O-N 3.16Å; L396-D573 HydrophobicContact CD1-CB 4.38Å; L396-D573 HydrophobicContact CD2-CB 4.27Å
397G86Confident71.1Confident10 Ų1051.8 Ų51.810%0.10329%0.294CS..BIsolated β-bridgetrans-72.9171.3175.500000113.7I392 R393 Q399 G567I392-G397 PolarHBondContact O-N 2.74Å; R393-G397 PolarHBondContact O-N 3.18Å; G397-Q399 PolarHBondContact O-N 3.3Å; G397-Q399 VanDerWaalsContact O-N 3.11Å; G397-G567 WeakPolarHBondContact CA-O 3.48Å
398S71.1Confident69.8Low102 Ų10259 Ų5971%0.71332%0.321SS*.  trans-65.8105.7170.5-51.10000109.4S400S398-S400 PolarHBondContact O-N 2.99Å
399Q60.5Low68.4Low112 Ų11263.3 Ų63.352%0.52334%0.344SS..PPolyproline II helixtrans-63.8125.9179.7-64-73.5-15.700110.1T394 G397T394-Q399 PolarHBondContact O-NE2 3.25Å; G397-Q399 PolarHBondContact O-N 3.3Å; G397-Q399 VanDerWaalsContact O-N 3.11Å
400S51Low67.4Low108 Ų10864.7 Ų64.776%0.75535%0.351SS*.PPolyproline II helixtrans-92.8117.6145.247.50000105.6S398S398-S400 PolarHBondContact O-N 2.99Å
401E40.4Very low66.7Low176 Ų17665.4 Ų65.482%0.82236%0.355SS*.PPolyproline II helixtrans-62.2142.1-179.2-66.1-179.216700109.4
402S42.1Very low66.2Low110 Ų11067.3 Ų67.377%0.76937%0.365SS*.  trans75.891.4174.872.90000117.4
403D43.8Very low65.7Low110 Ų11068.9 Ų68.959%0.58838%0.376SS*.  -170.8145.7122.6-114.4-28.6000115.5H405 C406 L409D403-H405 PolarHBondContact O-N 3.48Å; D403-C406 PolarHBondContact O-SG 3.24Å; D403-L409 HydrophobicContact CB-CD1 4.43Å
404S47.1Very low65.6Low97 Ų9767.3 Ų67.368%0.67837%0.371SS*.THydrogen-bonded Turntrans-73.50.3179.557.70000114.6
405H51.7Low65.7Low125 Ų12568 Ų6858%0.57937%0.374SS*.THydrogen-bonded Turntrans-95.620.9176.8-92.829.9000114.5D403 K407 R408 L409D403-H405 PolarHBondContact O-N 3.48Å; H405-K407 PolarHBondContact O-N 3.13Å; H405-K407 VanDerWaalsContact O-N 3.12Å; H405-R408 PolarHBondContact O-N 2.96Å; H405-L409 HydrophobicContact CB-CD1 4.29Å
406C57.6Low65.8Low19 Ų1973.3 Ų73.313%0.12840%0.399CS..Hα-helixtrans-41.8-52.1-169.9-76.80000116.4D403 R408 L409 L410D403-C406 PolarHBondContact O-SG 3.24Å; C406-R408 PolarHBondContact O-N 2.76Å; C406-L409 PolarHBondContact O-N 3.43Å; C406-L410 HydrophobicContact CB-CD1 3.99Å; C406-L410 VanDerWaalsContact O-CB 3.26Å; C406-L410 WeakPolarHBondContact O-CB 3.27Å; C406-L410 WeakPolarHBondContact O-CD1 3.35Å; C406-L410 WeakPolarHBondContact O-CG 3.45Å; C406-L410 PolarHBondContact O-N 3.01Å
407K57.7Low65.7Low48 Ų4875.7 Ų75.721%0.20941%0.411CS..Hα-helixtrans-57.3-45.9-170.3-174.1171.1-166.81760113.5S151 L153 L390 H405 I411S151-K407 PolarHBondContact O-NZ 2.85Å; L153-K407 HydrophobicContact CB-CB 4.1Å; L153-K407 HydrophobicContact CB-CD 4.08Å; L153-K407 HydrophobicContact CB-CG 4.17Å; L153-K407 WeakPolarHBondContact O-CB 3.46Å; L153-K407 PolarHBondContact O-N 3.11Å; L390-K407 HydrophobicContact CD2-CD 4.42Å; L390-K407 HydrophobicContact CD2-CG 3.98Å; H405-K407 PolarHBondContact O-N 3.13Å; H405-K407 VanDerWaalsContact O-N 3.12Å; K407-I411 HydrophobicContact CG-CD1 3.87Å; K407-I411 HydrophobicContact CG-CG1 4.49Å; K407-I411 VanDerWaalsContact O-CG1 3.26Å; K407-I411 WeakPolarHBondContact O-CG1 3.35Å; K407-I411 PolarHBondContact O-N 3.32Å
408R58.8Low66.1Low158 Ų15876.6 Ų76.660%0.59641%0.412SS*.Hα-helixtrans-68.9-51.8-177.1-169.1179.3-168.4165.44.9110.6E378 H405 C406 L410 I411 D412E378-R408 IonicContact OE2-CZ 3.71Å; E378-R408 IonicContact OE2-NE 3.73Å; E378-R408 PolarHBondContact OE2-NE 3.48Å; E378-R408 IonicContact OE2-NH2 2.68Å; E378-R408 PolarHBondContact OE2-NH2 3.49Å; H405-R408 PolarHBondContact O-N 2.96Å; C406-R408 PolarHBondContact O-N 2.76Å; R408-L410 PolarHBondContact O-N 2.95Å; R408-L410 VanDerWaalsContact O-N 3.14Å; R408-I411 WeakPolarHBondContact O-CA 3.48Å; R408-I411 WeakPolarHBondContact O-CB 3.24Å; R408-I411 PolarHBondContact O-N 3.49Å; R408-D412 PolarHBondContact O-N 3.25Å
409L61.3Low67.1Low94 Ų9476 Ų7649%0.49240%0.401SS..Hα-helixtrans-53.5-37176.2-69.5170.2000112.7D403 H405 C406 S413D403-L409 HydrophobicContact CB-CD1 4.43Å; H405-L409 HydrophobicContact CB-CD1 4.29Å; C406-L409 PolarHBondContact O-N 3.43Å; L409-S413 WeakPolarHBondContact O-CB 3.49Å; L409-S413 PolarHBondContact O-N 3.27Å
410L70.7Confident68.5Low30 Ų3072.9 Ų72.916%0.15739%0.389CS..Hα-helixtrans-77.6-33.4178.3-68.7167.9000113.4L390 R393 T394 C406 R408 A414L390-L410 HydrophobicContact CD1-CB 3.43Å; L390-L410 VanDerWaalsContact CD1-CB 3.43Å; L390-L410 HydrophobicContact CD1-CD1 4.24Å; L390-L410 HydrophobicContact CD1-CG 4.5Å; R393-L410 HydrophobicContact CB-CD2 4.44Å; T394-L410 HydrophobicContact CG2-CD1 3.94Å; T394-L410 WeakPolarHBondContact OG1-CD1 3.5Å; C406-L410 HydrophobicContact CB-CD1 3.99Å; C406-L410 VanDerWaalsContact O-CB 3.26Å; C406-L410 WeakPolarHBondContact O-CB 3.27Å; C406-L410 WeakPolarHBondContact O-CD1 3.35Å; C406-L410 WeakPolarHBondContact O-CG 3.45Å; C406-L410 PolarHBondContact O-N 3.01Å; R408-L410 PolarHBondContact O-N 2.95Å; R408-L410 VanDerWaalsContact O-N 3.14Å; L410-A414 VanDerWaalsContact O-CB 3.27Å; L410-A414 WeakPolarHBondContact O-CB 3.43Å; L410-A414 PolarHBondContact O-N 2.84Å
411I72.2Confident70.5Confident21 Ų2167.9 Ų67.911%0.10835%0.354CS..Hα-helixtrans-63.5-47.2169-72.1166.7000109P375 L382 L390 K407 R408 S413 A414 L415P375-I411 HydrophobicContact CG-CG2 4.49Å; L382-I411 HydrophobicContact CD1-CD1 4.26Å; L382-I411 HydrophobicContact CD1-CG1 4.35Å; L390-I411 HydrophobicContact CD1-CG1 4.28Å; K407-I411 HydrophobicContact CG-CD1 3.87Å; K407-I411 HydrophobicContact CG-CG1 4.49Å; K407-I411 VanDerWaalsContact O-CG1 3.26Å; K407-I411 WeakPolarHBondContact O-CG1 3.35Å; K407-I411 PolarHBondContact O-N 3.32Å; R408-I411 WeakPolarHBondContact O-CA 3.48Å; R408-I411 WeakPolarHBondContact O-CB 3.24Å; R408-I411 PolarHBondContact O-N 3.49Å; I411-S413 VanDerWaalsContact C-N 3.34Å; I411-S413 PolarHBondContact O-N 2.8Å; I411-A414 CarbonylContact O-C 3.57Å; I411-A414 WeakPolarHBondContact O-CA 3.37Å; I411-A414 WeakPolarHBondContact O-CB 3.23Å; I411-A414 PolarHBondContact O-N 2.87Å; I411-L415 HydrophobicContact CG2-CD1 3.92Å; I411-L415 HydrophobicContact CG2-CG 4.32Å; I411-L415 WeakPolarHBondContact O-CG 3.29Å; I411-L415 PolarHBondContact O-N 3.21Å
412D77.6Confident73.1Confident40 Ų4061.9 Ų61.921%0.21433%0.326CS..Hα-helixtrans-58.9-47.9178-58.2-18.7000109.8R408 A414 L415 E416R408-D412 PolarHBondContact O-N 3.25Å; D412-A414 VanDerWaalsContact C-N 3.28Å; D412-A414 PolarHBondContact O-N 2.8Å; D412-L415 WeakPolarHBondContact O-CB 3.4Å; D412-L415 PolarHBondContact O-N 3.37Å; D412-L415 VanDerWaalsContact O-N 3.15Å; D412-E416 WeakPolarHBondContact O-CG 3.25Å; D412-E416 PolarHBondContact O-N 3.26Å
413S81.7Confident75.6Confident33 Ų3359.9 Ų59.923%0.23131%0.309CS..Hα-helixtrans-64.4-30.3175.5-167.80000113.4R393 L409 I411 L417R393-S413 PolarHBondContact NH1-O 2.87Å; R393-S413 PolarHBondContact NH2-OG 2.95Å; L409-S413 WeakPolarHBondContact O-CB 3.49Å; L409-S413 PolarHBondContact O-N 3.27Å; I411-S413 VanDerWaalsContact C-N 3.34Å; I411-S413 PolarHBondContact O-N 2.8Å; S413-L417 WeakPolarHBondContact O-CG 3.29Å; S413-L417 PolarHBondContact O-N 2.95Å
414A85.1Confident78Confident4 Ų454.7 Ų54.73%0.03328%0.281CS..Hα-helixtrans-74-35.9174.300000112.1Y374 P375 L389 L410 I411 D412 R418Y374-A414 WeakPolarHBondContact CD1-O 3.37Å; P375-A414 HydrophobicContact CG-CB 3.91Å; L389-A414 HydrophobicContact CD2-CB 4.4Å; L410-A414 VanDerWaalsContact O-CB 3.27Å; L410-A414 WeakPolarHBondContact O-CB 3.43Å; L410-A414 PolarHBondContact O-N 2.84Å; I411-A414 CarbonylContact O-C 3.57Å; I411-A414 WeakPolarHBondContact O-CA 3.37Å; I411-A414 WeakPolarHBondContact O-CB 3.23Å; I411-A414 PolarHBondContact O-N 2.87Å; D412-A414 VanDerWaalsContact C-N 3.28Å; D412-A414 PolarHBondContact O-N 2.8Å; A414-R418 WeakPolarHBondContact O-CB 3.24Å; A414-R418 PolarHBondContact O-N 2.9Å
415L87Confident80.3Confident22 Ų2251.4 Ų51.412%0.11526%0.256CS..Hα-helixtrans-64.6-44.1170.2-68.3168.8000110.5P375 E378 I411 D412 L417 R418 D419P375-L415 HydrophobicContact CB-CD2 4.03Å; P375-L415 HydrophobicContact CG-CD2 3.95Å; P375-L415 HydrophobicContact CG-CG 4.09Å; P375-L415 WeakPolarHBondContact O-CD2 3.34Å; E378-L415 HydrophobicContact CG-CD1 3.76Å; I411-L415 HydrophobicContact CG2-CD1 3.92Å; I411-L415 HydrophobicContact CG2-CG 4.32Å; I411-L415 WeakPolarHBondContact O-CG 3.29Å; I411-L415 PolarHBondContact O-N 3.21Å; D412-L415 WeakPolarHBondContact O-CB 3.4Å; D412-L415 PolarHBondContact O-N 3.37Å; D412-L415 VanDerWaalsContact O-N 3.15Å; L415-L417 PolarHBondContact O-N 2.93Å; L415-R418 CarbonylContact O-C 3.57Å; L415-R418 WeakPolarHBondContact O-CA 3.35Å; L415-R418 VanDerWaalsContact O-CB 3.28Å; L415-R418 WeakPolarHBondContact O-CB 3.39Å; L415-R418 PolarHBondContact O-N 2.98Å; L415-R418 VanDerWaalsContact O-N 3.12Å; L415-D419 PolarHBondContact O-N 2.93Å
416E87.5Confident82.4Confident119 Ų11953.1 Ų53.156%0.55626%0.262SS*.Hα-helixtrans-60.5-43.9174.9-72.5171.4178.400112.1D412 R418 D419 V420D412-E416 WeakPolarHBondContact O-CG 3.25Å; D412-E416 PolarHBondContact O-N 3.26Å; E416-R418 VanDerWaalsContact C-N 3.3Å; E416-R418 PolarHBondContact O-N 3.05Å; E416-D419 PolarHBondContact O-N 2.65Å; E416-V420 VanDerWaalsContact O-CG2 3.29Å; E416-V420 WeakPolarHBondContact O-CG2 3.28Å; E416-V420 PolarHBondContact O-N 3.35Å
417L88.4Confident84.2Confident51 Ų5155.8 Ų55.827%0.26727%0.272SS..Hα-helixtrans-63.4-38.1174.6-78.6-165.4000112.1Y374 R393 S413 L415 D419 V420 L421Y374-L417 HydrophobicContact CD1-CB 4.42Å; Y374-L417 HydrophobicContact CE1-CB 3.81Å; Y374-L417 HydrophobicContact CE1-CD1 4.44Å; R393-L417 VanDerWaalsContact CZ-CD1 3.4Å; S413-L417 WeakPolarHBondContact O-CG 3.29Å; S413-L417 PolarHBondContact O-N 2.95Å; L415-L417 PolarHBondContact O-N 2.93Å; L417-D419 VanDerWaalsContact C-N 3.34Å; L417-V420 PolarHBondContact O-N 2.97Å; L417-L421 VanDerWaalsContact O-CB 3.31Å; L417-L421 WeakPolarHBondContact O-CB 3.44Å; L417-L421 PolarHBondContact O-N 3Å
418R93.7Very high86.1Confident30 Ų3057.7 Ų57.711%0.11329%0.29CS..Hα-helixtrans-59.8-47.4172.7-179.3-173.1179.189.719.9110.4L371 Y374 P375 A414 L415 E416 V420 L421 E422L371-R418 HydrophobicContact CD2-CG 4.03Å; L371-R418 PolarHBondContact O-NH1 3.27Å; Y374-R418 HydrophobicContact CD1-CB 4.22Å; Y374-R418 HydrophobicContact CG-CB 4.05Å; P375-R418 WeakPolarHBondContact O-CD 3.4Å; A414-R418 WeakPolarHBondContact O-CB 3.24Å; A414-R418 PolarHBondContact O-N 2.9Å; L415-R418 CarbonylContact O-C 3.57Å; L415-R418 WeakPolarHBondContact O-CA 3.35Å; L415-R418 VanDerWaalsContact O-CB 3.28Å; L415-R418 WeakPolarHBondContact O-CB 3.39Å; L415-R418 PolarHBondContact O-N 2.98Å; L415-R418 VanDerWaalsContact O-N 3.12Å; E416-R418 VanDerWaalsContact C-N 3.3Å; E416-R418 PolarHBondContact O-N 3.05Å; R418-V420 VanDerWaalsContact C-N 3.35Å; R418-V420 PolarHBondContact O-N 3.47Å; R418-L421 CarbonylContact O-C 3.55Å; R418-L421 WeakPolarHBondContact O-CB 3.28Å; R418-L421 PolarHBondContact O-N 2.9Å; R418-L421 VanDerWaalsContact O-N 3.15Å; R418-E422 HydrophobicContact CG-CG 4.31Å; R418-E422 IonicContact CZ-OE1 3.9Å; R418-E422 VanDerWaalsContact CZ-OE1 3.26Å; R418-E422 IonicContact NE-OE1 2.76Å; R418-E422 PolarHBondContact NE-OE1 3.16Å; R418-E422 IonicContact NH2-OE1 3.34Å; R418-E422 PolarHBondContact NH2-OE1 3.37Å; R418-E422 WeakPolarHBondContact O-CB 3.31Å; R418-E422 WeakPolarHBondContact O-CG 3.46Å; R418-E422 PolarHBondContact O-N 2.82Å
419D92.4Very high88Confident89 Ų8950.6 Ų50.648%0.47626%0.263SS..Hα-helixtrans-64.1-40-179.7-70-21.7000112L415 E416 L417 L421 E422 T423L415-D419 PolarHBondContact O-N 2.93Å; E416-D419 PolarHBondContact O-N 2.65Å; L417-D419 VanDerWaalsContact C-N 3.34Å; D419-L421 VanDerWaalsContact C-N 3.34Å; D419-E422 PolarHBondContact O-N 3.4Å; D419-T423 VanDerWaalsContact O-CB 3.26Å; D419-T423 WeakPolarHBondContact O-CB 3.14Å; D419-T423 PolarHBondContact O-N 2.9Å; D419-T423 PolarHBondContact O-OG1 2.87Å
420V89.9Confident89.7Confident46 Ų4647.1 Ų47.128%0.27924%0.244SC..Hα-helixtrans-58.9-47.6171.5169.20000110.1E416 L417 R418 T423 M424 N473E416-V420 VanDerWaalsContact O-CG2 3.29Å; E416-V420 WeakPolarHBondContact O-CG2 3.28Å; E416-V420 PolarHBondContact O-N 3.35Å; L417-V420 PolarHBondContact O-N 2.97Å; R418-V420 VanDerWaalsContact C-N 3.35Å; R418-V420 PolarHBondContact O-N 3.47Å; V420-T423 PolarHBondContact O-N 3.48Å; V420-M424 VanDerWaalsContact O-CB 3.31Å; V420-M424 WeakPolarHBondContact O-CB 3.26Å; V420-M424 PolarHBondContact O-N 3.34Å; V420-N473 HydrophobicContact CG1-CB 4.14Å
421L93.3Very high91Very high3 Ų349.3 Ų49.32%0.01625%0.251CS..Hα-helixtrans-65-45.7179.7-17356.3000111.9L367 L371 Y374 L417 R418 D419 T423 M424 L425 F564L367-L421 HydrophobicContact CB-CD1 4.1Å; L367-L421 HydrophobicContact CD1-CD1 4.19Å; L367-L421 HydrophobicContact CD2-CD1 4.44Å; L367-L421 HydrophobicContact CG-CD1 4.49Å; L371-L421 HydrophobicContact CD2-CB 4.22Å; L371-L421 HydrophobicContact CD2-CD2 3.74Å; L371-L421 HydrophobicContact CD2-CG 3.95Å; L371-L421 HydrophobicContact CG-CD2 4.31Å; Y374-L421 HydrophobicContact CE2-CD2 3.81Å; L417-L421 VanDerWaalsContact O-CB 3.31Å; L417-L421 WeakPolarHBondContact O-CB 3.44Å; L417-L421 PolarHBondContact O-N 3Å; R418-L421 CarbonylContact O-C 3.55Å; R418-L421 WeakPolarHBondContact O-CB 3.28Å; R418-L421 PolarHBondContact O-N 2.9Å; R418-L421 VanDerWaalsContact O-N 3.15Å; D419-L421 VanDerWaalsContact C-N 3.34Å; L421-T423 VanDerWaalsContact C-N 3.32Å; L421-T423 PolarHBondContact O-N 3.19Å; L421-M424 HydrophobicContact CD1-CE 3.42Å; L421-M424 VanDerWaalsContact CD1-CE 3.42Å; L421-M424 WeakPolarHBondContact O-CB 3.37Å; L421-M424 PolarHBondContact O-N 2.95Å; L421-L425 HydrophobicContact CG-CD1 4.29Å; L421-L425 WeakPolarHBondContact O-CB 3.15Å; L421-L425 WeakPolarHBondContact O-CG 3.16Å; L421-L425 PolarHBondContact O-N 3Å; L421-F564 HydrophobicContact CD1-CE1 4.09Å; L421-F564 HydrophobicContact CD1-CZ 4.42Å
422E95.5Very high92.3Very high51 Ų5148.9 Ų48.924%0.23825%0.249CC..Hα-helixtrans-63-37.9176.8-73.9-170.7-179.600112.1L371 R418 D419 K426L371-E422 HydrophobicContact CD1-CG 4.11Å; L371-E422 HydrophobicContact CD2-CG 3.75Å; R418-E422 HydrophobicContact CG-CG 4.31Å; R418-E422 IonicContact CZ-OE1 3.9Å; R418-E422 VanDerWaalsContact CZ-OE1 3.26Å; R418-E422 IonicContact NE-OE1 2.76Å; R418-E422 PolarHBondContact NE-OE1 3.16Å; R418-E422 IonicContact NH2-OE1 3.34Å; R418-E422 PolarHBondContact NH2-OE1 3.37Å; R418-E422 WeakPolarHBondContact O-CB 3.31Å; R418-E422 WeakPolarHBondContact O-CG 3.46Å; R418-E422 PolarHBondContact O-N 2.82Å; D419-E422 PolarHBondContact O-N 3.4Å; E422-K426 WeakPolarHBondContact O-CD 3.39Å; E422-K426 VanDerWaalsContact O-CG 3.29Å; E422-K426 WeakPolarHBondContact O-CG 3.39Å; E422-K426 PolarHBondContact O-N 2.9Å
423T93.8Very high93.2Very high67 Ų6748.1 Ų48.141%0.41125%0.246SC..Hα-helixtrans-66.5-45.7175-59.80000110.8D419 V420 L421 L425 K426D419-T423 VanDerWaalsContact O-CB 3.26Å; D419-T423 WeakPolarHBondContact O-CB 3.14Å; D419-T423 PolarHBondContact O-N 2.9Å; D419-T423 PolarHBondContact O-OG1 2.87Å; V420-T423 PolarHBondContact O-N 3.48Å; L421-T423 VanDerWaalsContact C-N 3.32Å; L421-T423 PolarHBondContact O-N 3.19Å; T423-L425 VanDerWaalsContact C-N 3.34Å; T423-L425 PolarHBondContact O-N 3.41Å; T423-K426 PolarHBondContact O-N 3.14Å
424M94.2Very high93.9Very high2 Ų247 Ų471%0.0124%0.237CC..Hα-helixtrans-60.1-42.1176.7-175.4-169.581.600111.9L367 V420 L421 K426 Q427 F429 P475 F505 F564L367-M424 HydrophobicContact CD1-CE 3.35Å; V420-M424 VanDerWaalsContact O-CB 3.31Å; V420-M424 WeakPolarHBondContact O-CB 3.26Å; V420-M424 PolarHBondContact O-N 3.34Å; L421-M424 HydrophobicContact CD1-CE 3.42Å; L421-M424 VanDerWaalsContact CD1-CE 3.42Å; L421-M424 WeakPolarHBondContact O-CB 3.37Å; L421-M424 PolarHBondContact O-N 2.95Å; M424-K426 PolarHBondContact O-N 2.92Å; M424-Q427 PolarHBondContact O-N 3.46Å; M424-Q427 VanDerWaalsContact O-O 3.07Å; M424-F429 HydrophobicContact CG-CE1 4.29Å; M424-P475 HydrophobicContact CE-CG 4.49Å; M424-P475 VanDerWaalsContact CG-CD 3.46Å; M424-P475 HydrophobicContact CG-CG 4.17Å; M424-P475 WeakPolarHBondContact SD-CD 3.27Å; M424-P475 HydrophobicContact SD-CG 3.54Å; M424-P475 VanDerWaalsContact SD-CG 3.54Å; M424-F505 HydrophobicContact CE-CE1 4.16Å; M424-F505 HydrophobicContact SD-CE1 4.21Å; M424-F564 HydrophobicContact CE-CE1 4.29Å; M424-F564 HydrophobicContact CE-CZ 4.23Å; M424-F564 HydrophobicContact SD-CZ 3.98Å
425L96.3Very high94.3Very high27 Ų2751.2 Ų51.214%0.14126%0.255CS..Hα-helixtrans-63.1-29.3179.1-73.2171.2000112.9K364 L367 N368 L371 L421 T423 Q427K364-L425 HydrophobicContact CB-CD2 3.91Å; K364-L425 HydrophobicContact CG-CD2 3.92Å; K364-L425 WeakPolarHBondContact O-CD2 3.48Å; L367-L425 HydrophobicContact CB-CD2 4.03Å; N368-L425 HydrophobicContact CB-CD1 4.1Å; L371-L425 HydrophobicContact CD1-CD1 3.78Å; L371-L425 HydrophobicContact CG-CD1 4.24Å; L421-L425 HydrophobicContact CG-CD1 4.29Å; L421-L425 WeakPolarHBondContact O-CB 3.15Å; L421-L425 WeakPolarHBondContact O-CG 3.16Å; L421-L425 PolarHBondContact O-N 3Å; T423-L425 VanDerWaalsContact C-N 3.34Å; T423-L425 PolarHBondContact O-N 3.41Å; L425-Q427 VanDerWaalsContact C-N 3.33Å
426K96.4Very high94.8Very high162 Ų16255 Ų5570%0.70427%0.272SS*.THydrogen-bonded Turntrans-79.2-12.7178.7-68.6164.2-169.8164.80113.6E422 T423 M424E422-K426 WeakPolarHBondContact O-CD 3.39Å; E422-K426 VanDerWaalsContact O-CG 3.29Å; E422-K426 WeakPolarHBondContact O-CG 3.39Å; E422-K426 PolarHBondContact O-N 2.9Å; T423-K426 PolarHBondContact O-N 3.14Å; M424-K426 PolarHBondContact O-N 2.92Å
427Q95.3Very high95.1Very high75 Ų7549.4 Ų49.435%0.3525%0.246SC..SBendtrans-113.8145.6-173.6-66.2176.7-1600110.8K364 M424 L425K364-Q427 WeakPolarHBondContact CE-O 3.46Å; K364-Q427 PolarHBondContact NZ-O 3.44Å; M424-Q427 PolarHBondContact O-N 3.46Å; M424-Q427 VanDerWaalsContact O-O 3.07Å; L425-Q427 VanDerWaalsContact C-N 3.33Å
428P96.8Very high95.3Very high88 Ų8847.3 Ų47.357%0.57124%0.235SC*.PPolyproline II helixtrans-65.8148.3172.228.7-34000110.8E360E360-P428 WeakPolarHBondContact OE1-CA 3.46Å
429F98Very high95.3Very high8 Ų853.5 Ų53.54%0.03526%0.263CS..PPolyproline II helixtrans-68.2144.1170.3-66.2-3.2000109.4E360 I363 K364 M424 P475 F477 L503 F505E360-F429 HydrophobicContact CB-CD2 4.03Å; E360-F429 HydrophobicContact CB-CE2 4.33Å; E360-F429 HydrophobicContact CG-CB 4.41Å; E360-F429 HydrophobicContact CG-CD1 4.28Å; E360-F429 HydrophobicContact CG-CD2 3.76Å; E360-F429 HydrophobicContact CG-CE2 4.02Å; E360-F429 HydrophobicContact CG-CG 3.89Å; E360-F429 HydrophobicContact CG-CZ 4.38Å; E360-F429 PolarHBondContact OE1-N 2.91Å; E360-F429 VanDerWaalsContact OE1-N 3.15Å; E360-F429 PolarHBondContact OE2-N 3.5Å; I363-F429 HydrophobicContact CG2-CE2 4.33Å; I363-F429 HydrophobicContact CG2-CZ 4.29Å; K364-F429 HydrophobicContact CG-CE1 4.3Å; K364-F429 HydrophobicContact CG-CZ 4.16Å; M424-F429 HydrophobicContact CG-CE1 4.29Å; F429-P475 HydrophobicContact CB-CB 4.49Å; F429-P475 HydrophobicContact CD1-CB 3.98Å; F429-P475 HydrophobicContact CD1-CG 3.89Å; F429-P475 HydrophobicContact CD2-CB 3.91Å; F429-P475 HydrophobicContact CD2-CG 4.39Å; F429-P475 HydrophobicContact CE1-CB 4.16Å; F429-P475 HydrophobicContact CE1-CG 3.65Å; F429-P475 HydrophobicContact CE2-CB 4.08Å; F429-P475 HydrophobicContact CE2-CG 4.17Å; F429-P475 HydrophobicContact CG-CB 3.87Å; F429-P475 HydrophobicContact CG-CG 4.28Å; F429-P475 HydrophobicContact CZ-CB 4.21Å; F429-P475 HydrophobicContact CZ-CG 3.8Å; F429-F477 HydrophobicContact CB-CD2 3.99Å; F429-F477 HydrophobicContact CB-CE2 3.89Å; F429-F477 HydrophobicContact CD2-CD2 4.49Å; F429-F477 AromaticContact CD2-CE2 3.75Å; F429-F477 HydrophobicContact CD2-CE2 3.75Å; F429-F477 HydrophobicContact CD2-CZ 4.28Å; F429-F477 HydrophobicContact CG-CE2 4.34Å; F429-L503 HydrophobicContact CD2-CD1 3.96Å; F429-L503 HydrophobicContact CD2-CD2 4.25Å; F429-L503 HydrophobicContact CE2-CD2 4.15Å; F429-F505 HydrophobicContact CE2-CE2 4.41Å; F429-F505 HydrophobicContact CE2-CZ 4.17Å; F429-F505 HydrophobicContact CZ-CZ 4.09Å
430I98Very high95.2Very high21 Ų2151 Ų5111%0.10825%0.247CC..EExtended strand (participates in β ladder)trans-77.8145.3-177-55.7-179.7000108.6I432 V470 R474 P475 V476 F477I430-I432 HydrophobicContact CG2-CG2 4.29Å; I430-V470 HydrophobicContact CD1-CG1 4.48Å; I430-V470 HydrophobicContact CD1-CG2 4.17Å; I430-V470 WeakPolarHBondContact CD1-O 3.45Å; I430-V470 HydrophobicContact CG2-CG1 4.18Å; I430-V470 HydrophobicContact CG2-CG2 3.81Å; I430-R474 HydrophobicContact CD1-CB 4.29Å; I430-R474 VanDerWaalsContact CD1-CZ 3.44Å; I430-R474 VanDerWaalsContact CD1-NH2 3.32Å; I430-R474 HydrophobicContact CG1-CB 4.38Å; I430-P475 PolarHBondContact N-O 3.06Å; I430-V476 HydrophobicContact CB-CG1 4.4Å; I430-V476 HydrophobicContact CB-CG2 4.19Å; I430-V476 HydrophobicContact CD1-CG2 4.38Å; I430-V476 HydrophobicContact CG2-CG1 4.43Å; I430-V476 CarbonylContact O-C 3.58Å; I430-V476 WeakPolarHBondContact O-CA 3.37Å; I430-F477 PolarHBondContact O-N 3.23Å
431R98.2Very high95.3Very high77 Ų7748.9 Ų48.929%0.29123%0.234SC..EExtended strand (participates in β ladder)trans-122.7126.4174.1-58.3-178.7-173.8-156.8-5.4109.1D353 C356 I357 F477D353-R431 VanDerWaalsContact CA-NH1 3.3Å; D353-R431 PolarHBondContact O-NH1 3.03Å; D353-R431 IonicContact OD1-CZ 2.88Å; D353-R431 IonicContact OD1-NH1 2.78Å; D353-R431 PolarHBondContact OD1-NH1 2.75Å; C356-R431 VanDerWaalsContact CB-CZ 3.43Å; I357-R431 VanDerWaalsContact CG1-NH2 3.29Å; I357-R431 VanDerWaalsContact N-NH2 3.18Å; R431-F477 HydrophobicContact CG-CB 4.23Å; R431-F477 HydrophobicContact CG-CD2 4.28Å
432I98.2Very high95Very high12 Ų1249.7 Ų49.76%0.06224%0.238CC..EExtended strand (participates in β ladder)trans-132.615416962.1172000108.4I430 E436 A437 I466 W469 V470 V476 F477 I478 T479I430-I432 HydrophobicContact CG2-CG2 4.29Å; I432-E436 HydrophobicContact CB-CB 4.43Å; I432-A437 HydrophobicContact CD1-CB 3.85Å; I432-I466 HydrophobicContact CD1-CG2 3.65Å; I432-W469 HydrophobicContact CD1-CZ3 3.92Å; I432-V470 HydrophobicContact CD1-CG1 4.34Å; I432-V470 HydrophobicContact CG2-CG1 4.46Å; I432-V470 HydrophobicContact CG2-CG2 4.44Å; I432-V476 HydrophobicContact CD1-CG1 4.12Å; I432-V476 HydrophobicContact CG1-CG1 3.94Å; I432-F477 PolarHBondContact N-O 3.42Å; I432-I478 HydrophobicContact CD1-CG1 4.41Å; I432-I478 HydrophobicContact CG1-CG1 4.25Å; I432-I478 CarbonylContact O-C 3.55Å; I432-I478 VanDerWaalsContact O-CA 3.31Å; I432-I478 WeakPolarHBondContact O-CA 3.18Å; I432-T479 PolarHBondContact O-N 3.14Å; I432-T479 PolarHBondContact O-OG1 2.9Å
433S97.6Very high94.5Very high24 Ų2455.3 Ų55.317%0.16826%0.262CS..EExtended strand (participates in β ladder)trans-81.3157.9170.263.70000111.6F435 E436 A437 T479S433-F435 PolarHBondContact O-N 3.1Å; S433-E436 WeakPolarHBondContact CB-OE2 3.47Å; S433-E436 PolarHBondContact N-OE2 3.4Å; S433-E436 PolarHBondContact O-N 2.98Å; S433-E436 VanDerWaalsContact O-N 3.13Å; S433-E436 VanDerWaalsContact OG-CG 3.28Å; S433-E436 WeakPolarHBondContact OG-CG 3.49Å; S433-E436 PolarHBondContact OG-N 3.33Å; S433-E436 PolarHBondContact OG-OE2 3.36Å; S433-A437 PolarHBondContact O-N 3.15Å; S433-T479 CarbonylContact C-O 3.47Å; S433-T479 VanDerWaalsContact CA-O 3.29Å; S433-T479 WeakPolarHBondContact CA-O 3.27Å
434Y96.9Very high93.7Very high10 Ų1057.4 Ų57.44%0.03927%0.267CS..Hα-helixtrans-51.1-42.5170.4173.3-92.1000111.8E436 A437 M438 R456 T479 F481 P482 L485Y434-E436 PolarHBondContact O-N 3.1Å; Y434-A437 WeakPolarHBondContact O-CB 3.29Å; Y434-A437 PolarHBondContact O-N 3.35Å; Y434-M438 HydrophobicContact CD1-CG 3.91Å; Y434-M438 HydrophobicContact CD2-CG 4.3Å; Y434-M438 HydrophobicContact CE1-CG 3.47Å; Y434-M438 VanDerWaalsContact CE1-CG 3.47Å; Y434-M438 HydrophobicContact CE1-SD 4.48Å; Y434-M438 HydrophobicContact CE2-CG 3.92Å; Y434-M438 HydrophobicContact CE2-SD 4.09Å; Y434-M438 HydrophobicContact CG-CG 4.33Å; Y434-M438 VanDerWaalsContact CZ-CG 3.49Å; Y434-M438 VanDerWaalsContact O-CG 3.32Å; Y434-M438 WeakPolarHBondContact O-CG 3.45Å; Y434-M438 PolarHBondContact O-N 3.02Å; Y434-R456 WeakPolarHBondContact CE2-O 3.17Å; Y434-R456 PolarHBondContact OH-N 2.93Å; Y434-R456 PolarHBondContact OH-O 3.41Å; Y434-T479 PolarHBondContact N-O 2.97Å; Y434-F481 AromaticContact CD2-CD1 3.32Å; Y434-F481 HydrophobicContact CD2-CD1 3.32Å; Y434-F481 AromaticContact CD2-CE1 3.5Å; Y434-F481 HydrophobicContact CD2-CE1 3.5Å; Y434-F481 VanDerWaalsContact CD2-CE1 3.5Å; Y434-F481 HydrophobicContact CD2-CG 4.1Å; Y434-F481 HydrophobicContact CD2-CZ 4.38Å; Y434-F481 AromaticContact CE2-CD1 3.87Å; Y434-F481 HydrophobicContact CE2-CD1 3.87Å; Y434-F481 HydrophobicContact CE2-CE1 4.05Å; Y434-F481 HydrophobicContact CG-CD1 4.06Å; Y434-F481 HydrophobicContact CG-CE1 4.5Å; Y434-F481 HydrophobicContact CG-CG 4.43Å; Y434-P482 HydrophobicContact CD1-CG 3.7Å; Y434-P482 HydrophobicContact CE1-CG 3.54Å; Y434-P482 HydrophobicContact CG-CG 4.45Å; Y434-L485 HydrophobicContact CE2-CD1 4.38Å
435F93.8Very high92.7Very high92 Ų9259.5 Ų59.540%0.40428%0.277SS..Hα-helixtrans-67.8-35.8-179.2-65.7-79.9000112.8S433 K439 P482 K497S433-F435 PolarHBondContact O-N 3.1Å; F435-K439 VanDerWaalsContact O-CB 3.25Å; F435-K439 WeakPolarHBondContact O-CB 3.27Å; F435-K439 PolarHBondContact O-N 3.1Å; F435-P482 HydrophobicContact CZ-CG 4.05Å; F435-K497 HydrophobicContact CE2-CD 4.15Å; F435-K497 HydrophobicContact CE2-CG 4.03Å
436E95.6Very high91.4Very high102 Ų10266 Ų6648%0.47731%0.312SS..Hα-helixtrans-66.1-42.2172.1-73.1165.6126.100111.4I432 S433 Y434 K439 Y440I432-E436 HydrophobicContact CB-CB 4.43Å; S433-E436 WeakPolarHBondContact CB-OE2 3.47Å; S433-E436 PolarHBondContact N-OE2 3.4Å; S433-E436 PolarHBondContact O-N 2.98Å; S433-E436 VanDerWaalsContact O-N 3.13Å; S433-E436 VanDerWaalsContact OG-CG 3.28Å; S433-E436 WeakPolarHBondContact OG-CG 3.49Å; S433-E436 PolarHBondContact OG-N 3.33Å; S433-E436 PolarHBondContact OG-OE2 3.36Å; Y434-E436 PolarHBondContact O-N 3.1Å; E436-K439 PolarHBondContact O-N 3.04Å; E436-Y440 PolarHBondContact O-N 3.38Å
437A95.1Very high89.6Confident0 Ų061.6 Ų61.60%030%0.299CS..Hα-helixtrans-60.3-48.3174.900000111.8I432 S433 Y434 K439 Y440 L441 I466 I478I432-A437 HydrophobicContact CD1-CB 3.85Å; S433-A437 PolarHBondContact O-N 3.15Å; Y434-A437 WeakPolarHBondContact O-CB 3.29Å; Y434-A437 PolarHBondContact O-N 3.35Å; A437-K439 PolarHBondContact O-N 2.58Å; A437-Y440 WeakPolarHBondContact O-CB 3.35Å; A437-Y440 PolarHBondContact O-N 2.94Å; A437-L441 WeakPolarHBondContact O-CG 3.27Å; A437-L441 PolarHBondContact O-N 2.81Å; A437-I466 HydrophobicContact CB-CD1 3.78Å; A437-I466 HydrophobicContact CB-CG1 4.31Å; A437-I478 HydrophobicContact CB-CG2 4.5Å
438M93Very high87.8Confident8 Ų863.5 Ų63.54%0.03932%0.315CS..Hα-helixtrans-65.3-38.9178.5-68.5-55.2-66.100112.4Y434 Y440 L441 N442 L450 L458Y434-M438 HydrophobicContact CD1-CG 3.91Å; Y434-M438 HydrophobicContact CD2-CG 4.3Å; Y434-M438 HydrophobicContact CE1-CG 3.47Å; Y434-M438 VanDerWaalsContact CE1-CG 3.47Å; Y434-M438 HydrophobicContact CE1-SD 4.48Å; Y434-M438 HydrophobicContact CE2-CG 3.92Å; Y434-M438 HydrophobicContact CE2-SD 4.09Å; Y434-M438 HydrophobicContact CG-CG 4.33Å; Y434-M438 VanDerWaalsContact CZ-CG 3.49Å; Y434-M438 VanDerWaalsContact O-CG 3.32Å; Y434-M438 WeakPolarHBondContact O-CG 3.45Å; Y434-M438 PolarHBondContact O-N 3.02Å; M438-Y440 VanDerWaalsContact C-N 3.3Å; M438-Y440 PolarHBondContact O-N 3.34Å; M438-L441 PolarHBondContact O-N 3.44Å; M438-L441 HydrophobicContact SD-CD1 4.14Å; M438-N442 WeakPolarHBondContact O-CB 3.36Å; M438-N442 VanDerWaalsContact O-CG 3.26Å; M438-N442 PolarHBondContact O-N 2.72Å; M438-L450 HydrophobicContact CE-CB 3.67Å; M438-L450 HydrophobicContact CE-CD1 3.71Å; M438-L450 HydrophobicContact CE-CG 4.33Å; M438-L458 HydrophobicContact SD-CD2 3.81Å
439K91.9Very high86Confident160 Ų16063 Ų6370%0.69631%0.308SS*.Hα-helixtrans-60-41.4174.9-176.3-178.8-179.1-179.60111.6F435 E436 A437 K443F435-K439 VanDerWaalsContact O-CB 3.25Å; F435-K439 WeakPolarHBondContact O-CB 3.27Å; F435-K439 PolarHBondContact O-N 3.1Å; E436-K439 PolarHBondContact O-N 3.04Å; A437-K439 PolarHBondContact O-N 2.58Å; K439-K443 PolarHBondContact O-N 2.87Å
440Y92.1Very high84.1Confident37 Ų3764.2 Ų64.215%0.14531%0.314CS..Hα-helixtrans-64.7-50.5174.1166.3-104.7000111.7E436 A437 M438 N442 K443 E444 W469E436-Y440 PolarHBondContact O-N 3.38Å; A437-Y440 WeakPolarHBondContact O-CB 3.35Å; A437-Y440 PolarHBondContact O-N 2.94Å; M438-Y440 VanDerWaalsContact C-N 3.3Å; M438-Y440 PolarHBondContact O-N 3.34Å; Y440-N442 VanDerWaalsContact C-N 3.29Å; Y440-N442 PolarHBondContact O-N 3.3Å; Y440-K443 WeakPolarHBondContact O-CB 3.3Å; Y440-K443 PolarHBondContact O-N 3.48Å; Y440-K443 VanDerWaalsContact O-N 3.09Å; Y440-E444 HydrophobicContact CD2-CG 3.95Å; Y440-E444 HydrophobicContact CE1-CG 4.21Å; Y440-E444 HydrophobicContact CE2-CG 3.3Å; Y440-E444 VanDerWaalsContact CZ-CG 3.46Å; Y440-E444 PolarHBondContact O-N 3.17Å; Y440-E444 VanDerWaalsContact O-N 3.09Å; Y440-W469 HydrophobicContact CD1-CB 4.13Å; Y440-W469 AromaticContact CD1-CD2 3.66Å; Y440-W469 HydrophobicContact CD1-CD2 3.66Å; Y440-W469 AromaticContact CD1-CE3 3.5Å; Y440-W469 HydrophobicContact CD1-CE3 3.5Å; Y440-W469 AromaticContact CD1-CG 3.93Å; Y440-W469 HydrophobicContact CD1-CG 3.93Å; Y440-W469 HydrophobicContact CD1-CZ3 4.19Å; Y440-W469 HydrophobicContact CD2-CB 4.43Å; Y440-W469 AromaticContact CD2-CD1 3.67Å; Y440-W469 AromaticContact CD2-CD2 3.44Å; Y440-W469 HydrophobicContact CD2-CD2 3.44Å; Y440-W469 VanDerWaalsContact CD2-CD2 3.44Å; Y440-W469 AromaticContact CD2-CE2 3.48Å; Y440-W469 VanDerWaalsContact CD2-CE2 3.48Å; Y440-W469 HydrophobicContact CD2-CE3 4.02Å; Y440-W469 AromaticContact CD2-CG 3.6Å; Y440-W469 HydrophobicContact CD2-CG 3.6Å; Y440-W469 HydrophobicContact CD2-CZ2 4.1Å; Y440-W469 AromaticContact CD2-NE1 3.59Å; Y440-W469 HydrophobicContact CE1-CB 3.47Å; Y440-W469 VanDerWaalsContact CE1-CB 3.47Å; Y440-W469 AromaticContact CE1-CD2 3.94Å; Y440-W469 HydrophobicContact CE1-CD2 3.94Å; Y440-W469 HydrophobicContact CE1-CE3 4.09Å; Y440-W469 AromaticContact CE1-CG 3.67Å; Y440-W469 HydrophobicContact CE1-CG 3.67Å; Y440-W469 HydrophobicContact CE2-CB 3.84Å; Y440-W469 AromaticContact CE2-CD1 3.31Å; Y440-W469 AromaticContact CE2-CD2 3.74Å; Y440-W469 HydrophobicContact CE2-CD2 3.74Å; Y440-W469 AromaticContact CE2-CE2 4Å; Y440-W469 AromaticContact CE2-CG 3.32Å; Y440-W469 HydrophobicContact CE2-CG 3.32Å; Y440-W469 AromaticContact CE2-NE1 3.72Å; Y440-W469 AromaticContact CG-CD2 3.4Å; Y440-W469 HydrophobicContact CG-CD2 3.4Å; Y440-W469 AromaticContact CG-CE2 3.75Å; Y440-W469 AromaticContact CG-CE3 3.46Å; Y440-W469 HydrophobicContact CG-CE3 3.46Å; Y440-W469 VanDerWaalsContact CG-CE3 3.46Å; Y440-W469 AromaticContact CG-CG 3.89Å; Y440-W469 HydrophobicContact CG-CG 3.89Å; Y440-W469 HydrophobicContact CG-CH2 4.19Å; Y440-W469 HydrophobicContact CG-CZ2 4.15Å; Y440-W469 AromaticContact CG-CZ3 3.86Å; Y440-W469 HydrophobicContact CG-CZ3 3.86Å; Y440-W469 AromaticContact CZ-CD1 3.77Å; Y440-W469 AromaticContact CZ-CD2 3.97Å; Y440-W469 AromaticContact CZ-CG 3.36Å; Y440-W469 WeakPolarHBondContact OH-CB 3.31Å
441L91.3Very high82.2Confident0 Ų067.6 Ų67.60%034%0.336CS..Hα-helixtrans-58.8-40-179.1-69.6172.7000112.1A437 M438 K443 E444 M445 L458 E462 R465 I466A437-L441 WeakPolarHBondContact O-CG 3.27Å; A437-L441 PolarHBondContact O-N 2.81Å; M438-L441 PolarHBondContact O-N 3.44Å; M438-L441 HydrophobicContact SD-CD1 4.14Å; L441-K443 VanDerWaalsContact C-N 3.34Å; L441-K443 PolarHBondContact O-N 2.88Å; L441-E444 PolarHBondContact O-N 3.24Å; L441-M445 HydrophobicContact CB-CE 4.37Å; L441-M445 HydrophobicContact CD2-CE 3.94Å; L441-M445 WeakPolarHBondContact O-CB 3.38Å; L441-M445 VanDerWaalsContact O-CG 3.25Å; L441-M445 WeakPolarHBondContact O-CG 3.47Å; L441-M445 PolarHBondContact O-N 3.25Å; L441-L458 HydrophobicContact CD1-CD2 3.86Å; L441-E462 HydrophobicContact CD1-CB 3.86Å; L441-E462 HydrophobicContact CD1-CG 3.9Å; L441-E462 HydrophobicContact CD2-CB 4.27Å; L441-E462 HydrophobicContact CD2-CG 4.21Å; L441-R465 HydrophobicContact CD2-CB 4.01Å; L441-I466 HydrophobicContact CD1-CD1 4.13Å; L441-I466 HydrophobicContact CD1-CG1 4.45Å; L441-I466 HydrophobicContact CD2-CG1 4.35Å; L441-I466 HydrophobicContact CG-CG1 4.42Å
442N86.6Confident80.2Confident21 Ų2169 Ų6911%0.11235%0.354CS..Hα-helixtrans-63-40.2176.5-73.2-8.2000112.8M438 Y440 D449 L450 T451M438-N442 WeakPolarHBondContact O-CB 3.36Å; M438-N442 VanDerWaalsContact O-CG 3.26Å; M438-N442 PolarHBondContact O-N 2.72Å; Y440-N442 VanDerWaalsContact C-N 3.29Å; Y440-N442 PolarHBondContact O-N 3.3Å; N442-D449 PolarHBondContact ND2-OD1 3.34Å; N442-L450 PolarHBondContact ND2-N 3.18Å; N442-L450 WeakPolarHBondContact OD1-CB 3.45Å; N442-L450 WeakPolarHBondContact OD1-CD1 3.46Å; N442-L450 WeakPolarHBondContact OD1-CG 3.19Å; N442-L450 PolarHBondContact OD1-N 2.76Å; N442-T451 WeakPolarHBondContact ND2-CG2 3.28Å; N442-T451 PolarHBondContact ND2-N 2.74Å
443K86.3Confident78.7Confident168 Ų16871.1 Ų71.173%0.7337%0.37SS*.Hα-helixtrans-66.5-40.7179.3-173.6-173.5174.2-166.70111.8K439 Y440 L441K439-K443 PolarHBondContact O-N 2.87Å; Y440-K443 WeakPolarHBondContact O-CB 3.3Å; Y440-K443 PolarHBondContact O-N 3.48Å; Y440-K443 VanDerWaalsContact O-N 3.09Å; L441-K443 VanDerWaalsContact C-N 3.34Å; L441-K443 PolarHBondContact O-N 2.88Å
444E76.9Confident77.9Confident112 Ų11279.5 Ų79.552%0.52340%0.397SS..Hα-helixtrans-80.1-30.9-177.2-70.8-63.6134.900113.7Y440 L441Y440-E444 HydrophobicContact CD2-CG 3.95Å; Y440-E444 HydrophobicContact CE1-CG 4.21Å; Y440-E444 HydrophobicContact CE2-CG 3.3Å; Y440-E444 VanDerWaalsContact CZ-CG 3.46Å; Y440-E444 PolarHBondContact O-N 3.17Å; Y440-E444 VanDerWaalsContact O-N 3.09Å; L441-E444 PolarHBondContact O-N 3.24Å
445M71.4Confident77.5Confident45 Ų4581.2 Ų81.222%0.22241%0.41CS..Hα-helixtrans-84.6-12.1-174.5-67.7-150.1-150.800114.1L441 T447 E462 R465L441-M445 HydrophobicContact CB-CE 4.37Å; L441-M445 HydrophobicContact CD2-CE 3.94Å; L441-M445 WeakPolarHBondContact O-CB 3.38Å; L441-M445 VanDerWaalsContact O-CG 3.25Å; L441-M445 WeakPolarHBondContact O-CG 3.47Å; L441-M445 PolarHBondContact O-N 3.25Å; M445-T447 HydrophobicContact CB-CG2 3.9Å; M445-T447 WeakPolarHBondContact CB-OG1 3.25Å; M445-T447 WeakPolarHBondContact O-CG2 3.44Å; M445-T447 PolarHBondContact O-N 3.03Å; M445-E462 HydrophobicContact CE-CG 3.54Å; M445-R465 VanDerWaalsContact CG-NH1 3.32Å; M445-R465 PolarHBondContact SD-NH1 3.28Å
446D70.4Confident77.3Confident165 Ų16580.7 Ų80.788%0.88241%0.405SS*.  trans50.118.7-171.7-137.815.2000112.8
447T57.3Low77.1Confident68 Ų6879.8 Ų79.842%0.41740%0.403SS..  trans-89.6149.6-178.248.60000109.9M445 D449M445-T447 HydrophobicContact CB-CG2 3.9Å; M445-T447 WeakPolarHBondContact CB-OG1 3.25Å; M445-T447 WeakPolarHBondContact O-CG2 3.44Å; M445-T447 PolarHBondContact O-N 3.03Å; T447-D449 PolarHBondContact O-N 3Å
448V58.4Low77Confident115 Ų11580.7 Ų80.770%0.69741%0.408SS*.SBendtrans-24.4126.6166.7-179.50000111.5L450V448-L450 PolarHBondContact O-N 3.43Å
449D58.8Low76.9Confident77 Ų7783.8 Ų83.841%0.41243%0.425SS..  trans-47.896.8-177.6-175.32000112N442 T447 T451 T452N442-D449 PolarHBondContact ND2-OD1 3.34Å; T447-D449 PolarHBondContact O-N 3Å; D449-T451 PolarHBondContact O-N 3.33Å; D449-T451 VanDerWaalsContact OD1-CB 3.27Å; D449-T451 WeakPolarHBondContact OD1-CB 3.08Å; D449-T451 WeakPolarHBondContact OD1-CG2 3.43Å; D449-T451 PolarHBondContact OD1-N 3.14Å; D449-T451 PolarHBondContact OD1-OG1 3.14Å; D449-T451 PolarHBondContact OD2-OG1 2.86Å; D449-T452 HydrophobicContact CB-CG2 4.35Å; D449-T452 PolarHBondContact O-N 3.48Å; D449-T452 VanDerWaalsContact O-N 3.08Å; D449-T452 PolarHBondContact O-OG1 2.96Å
450L57.8Low76.8Confident34 Ų3478.4 Ų78.418%0.17840%0.402CS..THydrogen-bonded Turntrans-65.7-11.1-179.8-56.9172.8000111.4M438 N442 V448 T452 S453M438-L450 HydrophobicContact CE-CB 3.67Å; M438-L450 HydrophobicContact CE-CD1 3.71Å; M438-L450 HydrophobicContact CE-CG 4.33Å; N442-L450 PolarHBondContact ND2-N 3.18Å; N442-L450 WeakPolarHBondContact OD1-CB 3.45Å; N442-L450 WeakPolarHBondContact OD1-CD1 3.46Å; N442-L450 WeakPolarHBondContact OD1-CG 3.19Å; N442-L450 PolarHBondContact OD1-N 2.76Å; V448-L450 PolarHBondContact O-N 3.43Å; L450-T452 VanDerWaalsContact C-N 3.29Å; L450-S453 PolarHBondContact O-N 3.15Å
451T58Low76.7Confident93 Ų9384.5 Ų84.557%0.57143%0.429SS*.THydrogen-bonded Turntrans-73.4-22.2174.774.30000113N442 D449N442-T451 WeakPolarHBondContact ND2-CG2 3.28Å; N442-T451 PolarHBondContact ND2-N 2.74Å; D449-T451 PolarHBondContact O-N 3.33Å; D449-T451 VanDerWaalsContact OD1-CB 3.27Å; D449-T451 WeakPolarHBondContact OD1-CB 3.08Å; D449-T451 WeakPolarHBondContact OD1-CG2 3.43Å; D449-T451 PolarHBondContact OD1-N 3.14Å; D449-T451 PolarHBondContact OD1-OG1 3.14Å; D449-T451 PolarHBondContact OD2-OG1 2.86Å
452T57.3Low76.7Confident107 Ų10784.8 Ų84.866%0.65643%0.43SS*.THydrogen-bonded Turntrans-87.2-16.7174.763.10000113.1D449 L450D449-T452 HydrophobicContact CB-CG2 4.35Å; D449-T452 PolarHBondContact O-N 3.48Å; D449-T452 VanDerWaalsContact O-N 3.08Å; D449-T452 PolarHBondContact O-OG1 2.96Å; L450-T452 VanDerWaalsContact C-N 3.29Å
453S66.1Low77.1Confident56 Ų5684.7 Ų84.739%0.39243%0.429SS..SBendtrans-77.8153.9176.9-62.10000110.5L450L450-S453 PolarHBondContact O-N 3.15Å
454R81.6Confident77.3Confident200 Ų20079.2 Ų79.276%0.75541%0.406SS*.  trans-51.1134.8170-174.4177.6-179.1176.6-1109.2R456 E484R454-R456 PolarHBondContact O-N 2.67Å; R454-E484 VanDerWaalsContact CG-OE1 3.24Å; R454-E484 WeakPolarHBondContact CG-OE1 3.15Å; R454-E484 IonicContact NE-OE1 2.82Å; R454-E484 PolarHBondContact NE-OE1 3.01Å
455P87Confident78Confident45 Ų4579.2 Ų79.229%0.29240%0.401SS..  trans-44.3140.2172.4-31.935.8000112.2P482 E484 L485P455-P482 HydrophobicContact CB-CB 3.72Å; P455-P482 HydrophobicContact CB-CG 3.86Å; P455-P482 HydrophobicContact CG-CB 3.88Å; P455-P482 HydrophobicContact CG-CG 4.1Å; P455-E484 HydrophobicContact CB-CG 3.99Å; P455-E484 VanDerWaalsContact CD-OE1 3.31Å; P455-E484 WeakPolarHBondContact CD-OE1 3.38Å; P455-E484 HydrophobicContact CG-CG 4.11Å; P455-L485 HydrophobicContact CB-CD1 3.98Å; P455-L485 HydrophobicContact CB-CD2 4.29Å; P455-L485 HydrophobicContact CB-CG 4.05Å
456R90.9Very high79.1Confident81 Ų8177 Ų7731%0.30639%0.39SS..  trans-142.2159175.164.4167.9-177.583-4.9110.5Y434 R454 E462 L485Y434-R456 WeakPolarHBondContact CE2-O 3.17Å; Y434-R456 PolarHBondContact OH-N 2.93Å; Y434-R456 PolarHBondContact OH-O 3.41Å; R454-R456 PolarHBondContact O-N 2.67Å; R456-E462 IonicContact CZ-OE1 2.65Å; R456-E462 IonicContact CZ-OE2 3.19Å; R456-E462 IonicContact NH1-OE1 2.95Å; R456-E462 PolarHBondContact NH1-OE1 3.04Å; R456-E462 IonicContact NH1-OE2 3.39Å; R456-E462 PolarHBondContact NH1-OE2 2.86Å; R456-E462 IonicContact NH2-OE1 3.13Å; R456-E462 PolarHBondContact NH2-OE1 3.36Å; R456-E462 IonicContact NH2-OE2 3.9Å; R456-L485 VanDerWaalsContact C-CD1 3.48Å; R456-L485 WeakPolarHBondContact O-CD1 3.36Å
457D91.1Very high80.2Confident83 Ų8369.4 Ų69.444%0.44435%0.349SS..PPolyproline II helixtrans-70.9161.7173.6-141.4-22.6000112.2
458L92.7Very high81.8Confident19 Ų1972.1 Ų72.110%0.09936%0.361CS..PPolyproline II helixtrans-79.2137.1176.6-62.7173.3000109.8M438 L441 E462 E463 I466 I478 F481M438-L458 HydrophobicContact SD-CD2 3.81Å; L441-L458 HydrophobicContact CD1-CD2 3.86Å; L458-E462 WeakPolarHBondContact CA-OE2 3.28Å; L458-E462 HydrophobicContact CD2-CB 4.29Å; L458-E463 HydrophobicContact CB-CG 4.49Å; L458-I466 HydrophobicContact CD1-CD1 3.79Å; L458-I466 HydrophobicContact CD2-CD1 4.3Å; L458-I478 HydrophobicContact CD1-CD1 3.35Å; L458-F481 HydrophobicContact CD1-CE1 4.41Å; L458-F481 HydrophobicContact CD1-CZ 4.43Å
459N91.3Very high83.4Confident73 Ų7371.8 Ų71.839%0.3935%0.348SS..PPolyproline II helixtrans-89.8167.9170.36959.2000111.4K461 E462 E463N459-K461 VanDerWaalsContact C-N 3.26Å; N459-K461 PolarHBondContact O-N 3.47Å; N459-K461 VanDerWaalsContact O-N 3.14Å; N459-K461 WeakPolarHBondContact OD1-CB 3.43Å; N459-K461 PolarHBondContact OD1-N 2.94Å; N459-E462 VanDerWaalsContact CG-CD 3.49Å; N459-E462 PolarHBondContact N-OE2 3.4Å; N459-E462 PolarHBondContact ND2-OE1 2.82Å; N459-E462 PolarHBondContact ND2-OE2 3.01Å; N459-E462 VanDerWaalsContact ND2-OE2 3.16Å; N459-E462 WeakPolarHBondContact O-CB 3.3Å; N459-E462 PolarHBondContact O-N 3.4Å; N459-E462 PolarHBondContact OD1-N 3.15Å; N459-E462 VanDerWaalsContact OD1-N 3.09Å; N459-E463 PolarHBondContact O-N 2.86Å
460K88.8Confident85Confident48 Ų4869.9 Ų69.921%0.20934%0.339CS..Hα-helixtrans-57.2-36.2-176.3-161.652.9160.2-168.50114.2E462 E463 H464 I508K460-E462 VanDerWaalsContact C-N 3.32Å; K460-E463 VanDerWaalsContact CD-OE2 3.29Å; K460-E463 WeakPolarHBondContact CD-OE2 3.48Å; K460-E463 IonicContact NZ-OE1 2.67Å; K460-E463 IonicContact NZ-OE2 3Å; K460-E463 PolarHBondContact NZ-OE2 2.87Å; K460-H464 PolarHBondContact O-N 3.22Å; K460-H464 PolarHBondContact O-ND1 3.08Å; K460-I508 WeakPolarHBondContact CE-O 3.36Å; K460-I508 PolarHBondContact NZ-O 3.18Å
461K90.3Very high86.1Confident164 Ų16468.4 Ų68.471%0.71333%0.332SS*.Hα-helixtrans-69.5-34.5179.5-65.9-179.4178.9178.70111.2N459 R465N459-K461 VanDerWaalsContact C-N 3.26Å; N459-K461 PolarHBondContact O-N 3.47Å; N459-K461 VanDerWaalsContact O-N 3.14Å; N459-K461 WeakPolarHBondContact OD1-CB 3.43Å; N459-K461 PolarHBondContact OD1-N 2.94Å; K461-R465 WeakPolarHBondContact O-CG 3.48Å; K461-R465 PolarHBondContact O-N 3.26Å; K461-R465 VanDerWaalsContact O-N 3.09Å
462E92.7Very high87.3Confident7 Ų766 Ų663%0.03333%0.325CS..Hα-helixtrans-70.2-42.8177.1-72160.918000112L441 M445 R456 L458 N459 K460 H464 R465 I466L441-E462 HydrophobicContact CD1-CB 3.86Å; L441-E462 HydrophobicContact CD1-CG 3.9Å; L441-E462 HydrophobicContact CD2-CB 4.27Å; L441-E462 HydrophobicContact CD2-CG 4.21Å; M445-E462 HydrophobicContact CE-CG 3.54Å; R456-E462 IonicContact CZ-OE1 2.65Å; R456-E462 IonicContact CZ-OE2 3.19Å; R456-E462 IonicContact NH1-OE1 2.95Å; R456-E462 PolarHBondContact NH1-OE1 3.04Å; R456-E462 IonicContact NH1-OE2 3.39Å; R456-E462 PolarHBondContact NH1-OE2 2.86Å; R456-E462 IonicContact NH2-OE1 3.13Å; R456-E462 PolarHBondContact NH2-OE1 3.36Å; R456-E462 IonicContact NH2-OE2 3.9Å; L458-E462 WeakPolarHBondContact CA-OE2 3.28Å; L458-E462 HydrophobicContact CD2-CB 4.29Å; N459-E462 VanDerWaalsContact CG-CD 3.49Å; N459-E462 PolarHBondContact N-OE2 3.4Å; N459-E462 PolarHBondContact ND2-OE1 2.82Å; N459-E462 PolarHBondContact ND2-OE2 3.01Å; N459-E462 VanDerWaalsContact ND2-OE2 3.16Å; N459-E462 WeakPolarHBondContact O-CB 3.3Å; N459-E462 PolarHBondContact O-N 3.4Å; N459-E462 PolarHBondContact OD1-N 3.15Å; N459-E462 VanDerWaalsContact OD1-N 3.09Å; K460-E462 VanDerWaalsContact C-N 3.32Å; E462-H464 VanDerWaalsContact C-N 3.28Å; E462-H464 PolarHBondContact O-N 3Å; E462-R465 PolarHBondContact O-N 3.03Å; E462-R465 VanDerWaalsContact O-N 3.16Å; E462-I466 WeakPolarHBondContact O-CG1 3.35Å; E462-I466 PolarHBondContact O-N 3.43Å
463E93.6Very high88.7Confident18 Ų1865.9 Ų65.98%0.08432%0.321CS..Hα-helixtrans-53.1-46.9171.9-69.6169.9-135.300111.5L458 N459 K460 I466 L467 L504 G509 E510L458-E463 HydrophobicContact CB-CG 4.49Å; N459-E463 PolarHBondContact O-N 2.86Å; K460-E463 VanDerWaalsContact CD-OE2 3.29Å; K460-E463 WeakPolarHBondContact CD-OE2 3.48Å; K460-E463 IonicContact NZ-OE1 2.67Å; K460-E463 IonicContact NZ-OE2 3Å; K460-E463 PolarHBondContact NZ-OE2 2.87Å; E463-I466 PolarHBondContact O-N 2.69Å; E463-L467 WeakPolarHBondContact O-CG 3.32Å; E463-L467 PolarHBondContact O-N 3.48Å; E463-L504 HydrophobicContact CB-CD1 3.89Å; E463-L504 HydrophobicContact CB-CD2 4.32Å; E463-L504 HydrophobicContact CG-CD1 4.12Å; E463-L504 HydrophobicContact CG-CD2 3.9Å; E463-G509 VanDerWaalsContact OE2-CA 3.26Å; E463-G509 WeakPolarHBondContact OE2-CA 3.39Å; E463-E510 PolarHBondContact OE2-N 2.92Å
464H90.6Very high89.9Confident53 Ų5367.3 Ų67.325%0.24532%0.317CS..Hα-helixtrans-64.9-41.8178.7-73.280.5000111.8K460 E462 I466 L467 D468K460-H464 PolarHBondContact O-N 3.22Å; K460-H464 PolarHBondContact O-ND1 3.08Å; E462-H464 VanDerWaalsContact C-N 3.28Å; E462-H464 PolarHBondContact O-N 3Å; H464-I466 VanDerWaalsContact C-N 3.31Å; H464-I466 PolarHBondContact O-N 3.1Å; H464-L467 WeakPolarHBondContact O-CB 3.29Å; H464-L467 PolarHBondContact O-N 2.99Å; H464-D468 PolarHBondContact O-N 3.38Å
465R91.8Very high90.7Very high112 Ų11257.8 Ų57.842%0.42328%0.281SS..Hα-helixtrans-62.8-36.6176.5-76.8-179.8173.4166.1-4.5113L441 M445 K461 E462 W469L441-R465 HydrophobicContact CD2-CB 4.01Å; M445-R465 VanDerWaalsContact CG-NH1 3.32Å; M445-R465 PolarHBondContact SD-NH1 3.28Å; K461-R465 WeakPolarHBondContact O-CG 3.48Å; K461-R465 PolarHBondContact O-N 3.26Å; K461-R465 VanDerWaalsContact O-N 3.09Å; E462-R465 PolarHBondContact O-N 3.03Å; E462-R465 VanDerWaalsContact O-N 3.16Å; R465-W469 VanDerWaalsContact O-CB 3.3Å; R465-W469 WeakPolarHBondContact O-CB 3.26Å; R465-W469 PolarHBondContact O-N 3.24Å
466I94.2Very high91.2Very high0 Ų055.6 Ų55.60%027%0.268CS..Hα-helixtrans-67.4-43.7175.1-68.4162.4000110.2I432 A437 L441 L458 E462 E463 H464 W469 V470 V476 I478 L504I432-I466 HydrophobicContact CD1-CG2 3.65Å; A437-I466 HydrophobicContact CB-CD1 3.78Å; A437-I466 HydrophobicContact CB-CG1 4.31Å; L441-I466 HydrophobicContact CD1-CD1 4.13Å; L441-I466 HydrophobicContact CD1-CG1 4.45Å; L441-I466 HydrophobicContact CD2-CG1 4.35Å; L441-I466 HydrophobicContact CG-CG1 4.42Å; L458-I466 HydrophobicContact CD1-CD1 3.79Å; L458-I466 HydrophobicContact CD2-CD1 4.3Å; E462-I466 WeakPolarHBondContact O-CG1 3.35Å; E462-I466 PolarHBondContact O-N 3.43Å; E463-I466 PolarHBondContact O-N 2.69Å; H464-I466 VanDerWaalsContact C-N 3.31Å; H464-I466 PolarHBondContact O-N 3.1Å; I466-W469 PolarHBondContact O-N 2.81Å; I466-V470 HydrophobicContact CG2-CG1 4.38Å; I466-V470 PolarHBondContact O-N 2.84Å; I466-V476 HydrophobicContact CG2-CG1 4.33Å; I466-I478 HydrophobicContact CD1-CD1 3.7Å; I466-I478 HydrophobicContact CG2-CD1 4.23Å; I466-L504 HydrophobicContact CB-CD1 4.48Å; I466-L504 HydrophobicContact CG2-CD1 4.38Å
467L93.3Very high91.6Very high4 Ų451.8 Ų51.82%0.02125%0.253CS..Iπ-helixtrans-59-46.2174-76.2164.2000111.4E463 H464 W469 G471 G472 V476 L504 F505 P506E463-L467 WeakPolarHBondContact O-CG 3.32Å; E463-L467 PolarHBondContact O-N 3.48Å; H464-L467 WeakPolarHBondContact O-CB 3.29Å; H464-L467 PolarHBondContact O-N 2.99Å; L467-W469 VanDerWaalsContact C-N 3.31Å; L467-W469 PolarHBondContact O-N 2.82Å; L467-G471 CarbonylContact O-C 3.42Å; L467-G471 WeakPolarHBondContact O-CA 3.39Å; L467-G471 PolarHBondContact O-N 3.16Å; L467-G472 PolarHBondContact O-N 2.83Å; L467-V476 HydrophobicContact CD2-CB 4.48Å; L467-V476 HydrophobicContact CD2-CG2 4.04Å; L467-L504 HydrophobicContact CD1-CB 4.09Å; L467-L504 HydrophobicContact CD2-CB 3.85Å; L467-L504 HydrophobicContact CG-CB 3.97Å; L467-L504 HydrophobicContact CG-CD1 4.38Å; L467-F505 VanDerWaalsContact CD1-O 3.27Å; L467-F505 WeakPolarHBondContact CD1-O 3.43Å; L467-P506 HydrophobicContact CD2-CG 4.46Å
468D91.5Very high91.9Very high125 Ų12547.9 Ų47.967%0.66823%0.232SC*.Iπ-helixtrans-63.5-36.8178.4-65.5-23.9000112.2H464H464-D468 PolarHBondContact O-N 3.38Å
469W92.2Very high92.2Very high109 Ų10947.3 Ų47.341%0.41323%0.23SC..Iπ-helixtrans-67.8-58.2-179.3173.838.6000113.8I432 Y440 R465 I466 L467I432-W469 HydrophobicContact CD1-CZ3 3.92Å; Y440-W469 HydrophobicContact CD1-CB 4.13Å; Y440-W469 AromaticContact CD1-CD2 3.66Å; Y440-W469 HydrophobicContact CD1-CD2 3.66Å; Y440-W469 AromaticContact CD1-CE3 3.5Å; Y440-W469 HydrophobicContact CD1-CE3 3.5Å; Y440-W469 AromaticContact CD1-CG 3.93Å; Y440-W469 HydrophobicContact CD1-CG 3.93Å; Y440-W469 HydrophobicContact CD1-CZ3 4.19Å; Y440-W469 HydrophobicContact CD2-CB 4.43Å; Y440-W469 AromaticContact CD2-CD1 3.67Å; Y440-W469 AromaticContact CD2-CD2 3.44Å; Y440-W469 HydrophobicContact CD2-CD2 3.44Å; Y440-W469 VanDerWaalsContact CD2-CD2 3.44Å; Y440-W469 AromaticContact CD2-CE2 3.48Å; Y440-W469 VanDerWaalsContact CD2-CE2 3.48Å; Y440-W469 HydrophobicContact CD2-CE3 4.02Å; Y440-W469 AromaticContact CD2-CG 3.6Å; Y440-W469 HydrophobicContact CD2-CG 3.6Å; Y440-W469 HydrophobicContact CD2-CZ2 4.1Å; Y440-W469 AromaticContact CD2-NE1 3.59Å; Y440-W469 HydrophobicContact CE1-CB 3.47Å; Y440-W469 VanDerWaalsContact CE1-CB 3.47Å; Y440-W469 AromaticContact CE1-CD2 3.94Å; Y440-W469 HydrophobicContact CE1-CD2 3.94Å; Y440-W469 HydrophobicContact CE1-CE3 4.09Å; Y440-W469 AromaticContact CE1-CG 3.67Å; Y440-W469 HydrophobicContact CE1-CG 3.67Å; Y440-W469 HydrophobicContact CE2-CB 3.84Å; Y440-W469 AromaticContact CE2-CD1 3.31Å; Y440-W469 AromaticContact CE2-CD2 3.74Å; Y440-W469 HydrophobicContact CE2-CD2 3.74Å; Y440-W469 AromaticContact CE2-CE2 4Å; Y440-W469 AromaticContact CE2-CG 3.32Å; Y440-W469 HydrophobicContact CE2-CG 3.32Å; Y440-W469 AromaticContact CE2-NE1 3.72Å; Y440-W469 AromaticContact CG-CD2 3.4Å; Y440-W469 HydrophobicContact CG-CD2 3.4Å; Y440-W469 AromaticContact CG-CE2 3.75Å; Y440-W469 AromaticContact CG-CE3 3.46Å; Y440-W469 HydrophobicContact CG-CE3 3.46Å; Y440-W469 VanDerWaalsContact CG-CE3 3.46Å; Y440-W469 AromaticContact CG-CG 3.89Å; Y440-W469 HydrophobicContact CG-CG 3.89Å; Y440-W469 HydrophobicContact CG-CH2 4.19Å; Y440-W469 HydrophobicContact CG-CZ2 4.15Å; Y440-W469 AromaticContact CG-CZ3 3.86Å; Y440-W469 HydrophobicContact CG-CZ3 3.86Å; Y440-W469 AromaticContact CZ-CD1 3.77Å; Y440-W469 AromaticContact CZ-CD2 3.97Å; Y440-W469 AromaticContact CZ-CG 3.36Å; Y440-W469 WeakPolarHBondContact OH-CB 3.31Å; R465-W469 VanDerWaalsContact O-CB 3.3Å; R465-W469 WeakPolarHBondContact O-CB 3.26Å; R465-W469 PolarHBondContact O-N 3.24Å; I466-W469 PolarHBondContact O-N 2.81Å; L467-W469 VanDerWaalsContact C-N 3.31Å; L467-W469 PolarHBondContact O-N 2.82Å
470V92.1Very high92.5Very high37 Ų3745.8 Ų45.822%0.22422%0.22CC..Iπ-helixtrans-111.5-35.6-16879.30000111.3I430 I432 I466 V476I430-V470 HydrophobicContact CD1-CG1 4.48Å; I430-V470 HydrophobicContact CD1-CG2 4.17Å; I430-V470 WeakPolarHBondContact CD1-O 3.45Å; I430-V470 HydrophobicContact CG2-CG1 4.18Å; I430-V470 HydrophobicContact CG2-CG2 3.81Å; I432-V470 HydrophobicContact CD1-CG1 4.34Å; I432-V470 HydrophobicContact CG2-CG1 4.46Å; I432-V470 HydrophobicContact CG2-CG2 4.44Å; I466-V470 HydrophobicContact CG2-CG1 4.38Å; I466-V470 PolarHBondContact O-N 2.84Å; V470-V476 HydrophobicContact CG1-CB 4.46Å; V470-V476 HydrophobicContact CG1-CG1 3.82Å; V470-V476 HydrophobicContact CG1-CG2 3.74Å
471G81Confident92.9Very high3 Ų343.5 Ų43.53%0.03121%0.21CC..Iπ-helixtrans-72.8-50.7-174.700000113.5L467 N473 R474L467-G471 CarbonylContact O-C 3.42Å; L467-G471 WeakPolarHBondContact O-CA 3.39Å; L467-G471 PolarHBondContact O-N 3.16Å; G471-N473 PolarHBondContact O-N 3.24Å; G471-N473 VanDerWaalsContact O-N 3.14Å; G471-R474 WeakPolarHBondContact CA-O 3.35Å; G471-R474 VanDerWaalsContact O-CB 3.32Å; G471-R474 WeakPolarHBondContact O-CB 3.31Å; G471-R474 PolarHBondContact O-N 2.72Å
472G83.4Confident93.2Very high42 Ų4236 Ų3643%0.43318%0.178SC..THydrogen-bonded Turntrans53.4-115-159.700000109.6L467L467-G472 PolarHBondContact O-N 2.83Å
473N86.4Confident93.1Very high105 Ų10536.3 Ų36.356%0.56118%0.18SC*.THydrogen-bonded Turntrans-92.212.5174.4-71-20.4000114.2V420 G471V420-N473 HydrophobicContact CG1-CB 4.14Å; G471-N473 PolarHBondContact O-N 3.24Å; G471-N473 VanDerWaalsContact O-N 3.14Å
474R92Very high93Very high85 Ų8540.6 Ų40.632%0.32120%0.2SC..SBendtrans-106143.3178.7-65.7-179.1-75.7178.83.8112.2I430 G471I430-R474 HydrophobicContact CD1-CB 4.29Å; I430-R474 VanDerWaalsContact CD1-CZ 3.44Å; I430-R474 VanDerWaalsContact CD1-NH2 3.32Å; I430-R474 HydrophobicContact CG1-CB 4.38Å; G471-R474 WeakPolarHBondContact CA-O 3.35Å; G471-R474 VanDerWaalsContact O-CB 3.32Å; G471-R474 WeakPolarHBondContact O-CB 3.31Å; G471-R474 PolarHBondContact O-N 2.72Å
475P97.2Very high93Very high0 Ų040.2 Ų40.20%020%0.199CC..  trans-62.7148.9168.4-24.935.9000112.5M424 F429 I430 L503 L504 F505M424-P475 HydrophobicContact CE-CG 4.49Å; M424-P475 VanDerWaalsContact CG-CD 3.46Å; M424-P475 HydrophobicContact CG-CG 4.17Å; M424-P475 WeakPolarHBondContact SD-CD 3.27Å; M424-P475 HydrophobicContact SD-CG 3.54Å; M424-P475 VanDerWaalsContact SD-CG 3.54Å; F429-P475 HydrophobicContact CB-CB 4.49Å; F429-P475 HydrophobicContact CD1-CB 3.98Å; F429-P475 HydrophobicContact CD1-CG 3.89Å; F429-P475 HydrophobicContact CD2-CB 3.91Å; F429-P475 HydrophobicContact CD2-CG 4.39Å; F429-P475 HydrophobicContact CE1-CB 4.16Å; F429-P475 HydrophobicContact CE1-CG 3.65Å; F429-P475 HydrophobicContact CE2-CB 4.08Å; F429-P475 HydrophobicContact CE2-CG 4.17Å; F429-P475 HydrophobicContact CG-CB 3.87Å; F429-P475 HydrophobicContact CG-CG 4.28Å; F429-P475 HydrophobicContact CZ-CB 4.21Å; F429-P475 HydrophobicContact CZ-CG 3.8Å; I430-P475 PolarHBondContact N-O 3.06Å; P475-L503 HydrophobicContact CB-CD1 3.82Å; P475-L504 CarbonylContact C-O 3.52Å; P475-L504 WeakPolarHBondContact CA-O 3.36Å; P475-L504 WeakPolarHBondContact CB-O 3.19Å; P475-F505 HydrophobicContact CB-CD2 4Å; P475-F505 HydrophobicContact CB-CE1 4.49Å; P475-F505 HydrophobicContact CB-CE2 3.8Å; P475-F505 HydrophobicContact CB-CG 4.42Å; P475-F505 HydrophobicContact CB-CZ 4.04Å; P475-F505 HydrophobicContact CG-CD1 3.98Å; P475-F505 HydrophobicContact CG-CD2 4.15Å; P475-F505 HydrophobicContact CG-CE1 3.66Å; P475-F505 HydrophobicContact CG-CE2 3.84Å; P475-F505 HydrophobicContact CG-CG 4.2Å; P475-F505 HydrophobicContact CG-CZ 3.55Å
476V98.4Very high93Very high0 Ų036.2 Ų36.20%019%0.185CC..EExtended strand (participates in β ladder)trans-129.4118.1-176.7-175.90000109.1I430 I432 I466 L467 V470 L504I430-V476 HydrophobicContact CB-CG1 4.4Å; I430-V476 HydrophobicContact CB-CG2 4.19Å; I430-V476 HydrophobicContact CD1-CG2 4.38Å; I430-V476 HydrophobicContact CG2-CG1 4.43Å; I430-V476 CarbonylContact O-C 3.58Å; I430-V476 WeakPolarHBondContact O-CA 3.37Å; I432-V476 HydrophobicContact CD1-CG1 4.12Å; I432-V476 HydrophobicContact CG1-CG1 3.94Å; I466-V476 HydrophobicContact CG2-CG1 4.33Å; L467-V476 HydrophobicContact CD2-CB 4.48Å; L467-V476 HydrophobicContact CD2-CG2 4.04Å; V470-V476 HydrophobicContact CG1-CB 4.46Å; V470-V476 HydrophobicContact CG1-CG1 3.82Å; V470-V476 HydrophobicContact CG1-CG2 3.74Å; V476-L504 PolarHBondContact N-O 3.45Å; V476-L504 PolarHBondContact O-N 2.79Å
477F98.8Very high92.9Very high1 Ų137.3 Ų37.30%0.00419%0.192CC..EExtended strand (participates in β ladder)trans-77.1126.1162.6-72.3-76.5000109.5C356 I359 E360 F429 I430 R431 I432 T479 A501 D502 L503C356-F477 HydrophobicContact CB-CD1 4.36Å; C356-F477 HydrophobicContact CB-CD2 4.24Å; C356-F477 HydrophobicContact CB-CE1 4.19Å; C356-F477 HydrophobicContact CB-CE2 4.05Å; C356-F477 HydrophobicContact CB-CG 4.38Å; C356-F477 HydrophobicContact CB-CZ 4.03Å; I359-F477 HydrophobicContact CB-CE1 4.41Å; I359-F477 HydrophobicContact CB-CZ 4.12Å; I359-F477 HydrophobicContact CD1-CE1 4.42Å; I359-F477 HydrophobicContact CG2-CE1 4.07Å; I359-F477 HydrophobicContact CG2-CZ 3.88Å; E360-F477 HydrophobicContact CB-CE2 4.29Å; F429-F477 HydrophobicContact CB-CD2 3.99Å; F429-F477 HydrophobicContact CB-CE2 3.89Å; F429-F477 HydrophobicContact CD2-CD2 4.49Å; F429-F477 AromaticContact CD2-CE2 3.75Å; F429-F477 HydrophobicContact CD2-CE2 3.75Å; F429-F477 HydrophobicContact CD2-CZ 4.28Å; F429-F477 HydrophobicContact CG-CE2 4.34Å; I430-F477 PolarHBondContact O-N 3.23Å; R431-F477 HydrophobicContact CG-CB 4.23Å; R431-F477 HydrophobicContact CG-CD2 4.28Å; I432-F477 PolarHBondContact N-O 3.42Å; F477-T479 HydrophobicContact CB-CG2 4.14Å; F477-A501 HydrophobicContact CD1-CB 4.03Å; F477-D502 WeakPolarHBondContact CA-O 3.42Å; F477-L503 HydrophobicContact CD1-CB 3.85Å; F477-L503 HydrophobicContact CD1-CD1 3.78Å; F477-L503 HydrophobicContact CD1-CG 4.24Å; F477-L503 HydrophobicContact CD2-CD1 3.9Å; F477-L503 HydrophobicContact CE1-CB 3.75Å; F477-L503 HydrophobicContact CE1-CD1 3.8Å; F477-L503 HydrophobicContact CE1-CD2 3.77Å; F477-L503 HydrophobicContact CE1-CG 3.97Å; F477-L503 HydrophobicContact CE2-CD1 3.92Å; F477-L503 HydrophobicContact CE2-CD2 4.49Å; F477-L503 HydrophobicContact CG-CD1 3.84Å; F477-L503 HydrophobicContact CZ-CD1 3.87Å; F477-L503 HydrophobicContact CZ-CD2 3.76Å; F477-L503 HydrophobicContact CZ-CG 4.26Å
478I98.5Very high92.7Very high0 Ų037.3 Ų37.30%019%0.192CC..EExtended strand (participates in β ladder)trans-99118163.5-54.9-180000106.3I432 A437 L458 I466 F481 A501 D502 L504I432-I478 HydrophobicContact CD1-CG1 4.41Å; I432-I478 HydrophobicContact CG1-CG1 4.25Å; I432-I478 CarbonylContact O-C 3.55Å; I432-I478 VanDerWaalsContact O-CA 3.31Å; I432-I478 WeakPolarHBondContact O-CA 3.18Å; A437-I478 HydrophobicContact CB-CG2 4.5Å; L458-I478 HydrophobicContact CD1-CD1 3.35Å; I466-I478 HydrophobicContact CD1-CD1 3.7Å; I466-I478 HydrophobicContact CG2-CD1 4.23Å; I478-F481 HydrophobicContact CB-CE2 3.94Å; I478-F481 HydrophobicContact CB-CZ 3.98Å; I478-F481 HydrophobicContact CG2-CD2 4.5Å; I478-F481 HydrophobicContact CG2-CE1 4.4Å; I478-F481 HydrophobicContact CG2-CE2 3.65Å; I478-F481 HydrophobicContact CG2-CZ 3.58Å; I478-F481 VanDerWaalsContact O-CE2 3.26Å; I478-F481 WeakPolarHBondContact O-CE2 3.4Å; I478-A501 CarbonylContact O-C 3.57Å; I478-A501 WeakPolarHBondContact O-CA 3.36Å; I478-D502 PolarHBondContact N-O 3.22Å; I478-D502 PolarHBondContact O-N 3.1Å; I478-L504 HydrophobicContact CD1-CD1 3.55Å; I478-L504 HydrophobicContact CD1-CG 4.08Å; I478-L504 HydrophobicContact CG1-CD1 4.26Å; I478-L504 HydrophobicContact CG1-CG 4.42Å
479T98.4Very high92.7Very high8 Ų831.9 Ų31.95%0.04916%0.162CC..EExtended strand (participates in β ladder)trans-112.9166.6-173.465.40000111.6I352 I432 S433 Y434 F477 F481 C500 A501I352-T479 HydrophobicContact CG1-CG2 4.43Å; I432-T479 PolarHBondContact O-N 3.14Å; I432-T479 PolarHBondContact O-OG1 2.9Å; S433-T479 CarbonylContact C-O 3.47Å; S433-T479 VanDerWaalsContact CA-O 3.29Å; S433-T479 WeakPolarHBondContact CA-O 3.27Å; Y434-T479 PolarHBondContact N-O 2.97Å; F477-T479 HydrophobicContact CB-CG2 4.14Å; T479-F481 PolarHBondContact O-N 3.41Å; T479-C500 CarbonylContact C-O 3.54Å; T479-C500 WeakPolarHBondContact CA-O 3.19Å; T479-A501 HydrophobicContact CG2-CB 3.97Å
480H97.6Very high92.9Very high40 Ų4026.8 Ų26.819%0.18514%0.143CC..  trans60.445.2167.9-57.898.4000114.4I352 K497 A498 C500I352-H480 VanDerWaalsContact CG2-CE1 3.41Å; I352-H480 WeakPolarHBondContact CG2-CE1 3.45Å; H480-K497 HydrophobicContact CB-CB 4.4Å; H480-K497 HydrophobicContact CB-CD 4.3Å; H480-A498 VanDerWaalsContact CA-O 3.31Å; H480-A498 WeakPolarHBondContact CA-O 3.43Å; H480-C500 PolarHBondContact N-O 3.41Å
481F97.4Very high93Very high0 Ų026.3 Ų26.30%014%0.139CC..  trans-60151.4173-73.7-104.9000111.4Y434 L458 I478 T479 M483 K486 A498 D502Y434-F481 AromaticContact CD2-CD1 3.32Å; Y434-F481 HydrophobicContact CD2-CD1 3.32Å; Y434-F481 AromaticContact CD2-CE1 3.5Å; Y434-F481 HydrophobicContact CD2-CE1 3.5Å; Y434-F481 VanDerWaalsContact CD2-CE1 3.5Å; Y434-F481 HydrophobicContact CD2-CG 4.1Å; Y434-F481 HydrophobicContact CD2-CZ 4.38Å; Y434-F481 AromaticContact CE2-CD1 3.87Å; Y434-F481 HydrophobicContact CE2-CD1 3.87Å; Y434-F481 HydrophobicContact CE2-CE1 4.05Å; Y434-F481 HydrophobicContact CG-CD1 4.06Å; Y434-F481 HydrophobicContact CG-CE1 4.5Å; Y434-F481 HydrophobicContact CG-CG 4.43Å; L458-F481 HydrophobicContact CD1-CE1 4.41Å; L458-F481 HydrophobicContact CD1-CZ 4.43Å; I478-F481 HydrophobicContact CB-CE2 3.94Å; I478-F481 HydrophobicContact CB-CZ 3.98Å; I478-F481 HydrophobicContact CG2-CD2 4.5Å; I478-F481 HydrophobicContact CG2-CE1 4.4Å; I478-F481 HydrophobicContact CG2-CE2 3.65Å; I478-F481 HydrophobicContact CG2-CZ 3.58Å; I478-F481 VanDerWaalsContact O-CE2 3.26Å; I478-F481 WeakPolarHBondContact O-CE2 3.4Å; T479-F481 PolarHBondContact O-N 3.41Å; F481-M483 PolarHBondContact O-N 2.94Å; F481-K486 HydrophobicContact CB-CD 4.38Å; F481-K486 HydrophobicContact CB-CG 3.99Å; F481-A498 WeakPolarHBondContact O-CB 3.27Å; F481-A498 PolarHBondContact O-N 3.08Å; F481-D502 HydrophobicContact CE2-CB 4.08Å; F481-D502 WeakPolarHBondContact CE2-OD2 3.31Å; F481-D502 HydrophobicContact CZ-CB 4.11Å; F481-D502 WeakPolarHBondContact CZ-OD2 3.42Å
482P95.4Very high93.7Very high6 Ų627.1 Ų27.14%0.03914%0.143CC..BIsolated β-bridgetrans-52.7133.9169.4-29.737.3000111.7Y434 F435 P455 E484 L485Y434-P482 HydrophobicContact CD1-CG 3.7Å; Y434-P482 HydrophobicContact CE1-CG 3.54Å; Y434-P482 HydrophobicContact CG-CG 4.45Å; F435-P482 HydrophobicContact CZ-CG 4.05Å; P455-P482 HydrophobicContact CB-CB 3.72Å; P455-P482 HydrophobicContact CB-CG 3.86Å; P455-P482 HydrophobicContact CG-CB 3.88Å; P455-P482 HydrophobicContact CG-CG 4.1Å; P482-E484 HydrophobicContact CB-CG 4.34Å; P482-E484 PolarHBondContact O-N 2.96Å; P482-E484 VanDerWaalsContact O-N 3.14Å; P482-L485 HydrophobicContact CB-CD1 4.3Å; P482-L485 HydrophobicContact CB-CG 4.38Å; P482-L485 HydrophobicContact CG-CD1 4.31Å; P482-L485 WeakPolarHBondContact O-CB 3.45Å; P482-L485 PolarHBondContact O-N 2.84Å
483M92.1Very high94.1Very high15 Ų1528.5 Ų28.57%0.07414%0.144CC..G310 helixtrans-62.9-26-170.9-161.669.4-105.100113.6F481 L485 K486 C490 I496 A498 R527F481-M483 PolarHBondContact O-N 2.94Å; M483-L485 VanDerWaalsContact C-N 3.25Å; M483-L485 PolarHBondContact O-N 3.19Å; M483-K486 HydrophobicContact CE-CB 4.12Å; M483-K486 PolarHBondContact O-N 2.98Å; M483-C490 HydrophobicContact CE-CB 3.49Å; M483-C490 VanDerWaalsContact CE-CB 3.49Å; M483-I496 VanDerWaalsContact CB-O 3.27Å; M483-I496 WeakPolarHBondContact CB-O 3.48Å; M483-I496 PolarHBondContact N-O 2.88Å; M483-A498 HydrophobicContact CE-CB 3.39Å; M483-A498 WeakPolarHBondContact SD-CA 3.39Å; M483-A498 HydrophobicContact SD-CB 3.56Å; M483-A498 VanDerWaalsContact SD-CB 3.56Å; M483-R527 VanDerWaalsContact CE-CZ 3.44Å; M483-R527 VanDerWaalsContact CE-NH1 3.31Å; M483-R527 PolarHBondContact SD-NH1 3.03Å
484E90.5Very high94.4Very high107 Ų10727.6 Ų27.650%0.514%0.138SC..G310 helixtrans-70.7-16.3176.964.7174.4-11800114.3R454 P455 P482R454-E484 VanDerWaalsContact CG-OE1 3.24Å; R454-E484 WeakPolarHBondContact CG-OE1 3.15Å; R454-E484 IonicContact NE-OE1 2.82Å; R454-E484 PolarHBondContact NE-OE1 3.01Å; P455-E484 HydrophobicContact CB-CG 3.99Å; P455-E484 VanDerWaalsContact CD-OE1 3.31Å; P455-E484 WeakPolarHBondContact CD-OE1 3.38Å; P455-E484 HydrophobicContact CG-CG 4.11Å; P482-E484 HydrophobicContact CB-CG 4.34Å; P482-E484 PolarHBondContact O-N 2.96Å; P482-E484 VanDerWaalsContact O-N 3.14Å
485L91.5Very high94.2Very high46 Ų4626.3 Ų26.324%0.24115%0.152CC..G310 helixtrans-91.8-12.9178.5-61.8179000113Y434 P455 R456 P482 M483Y434-L485 HydrophobicContact CE2-CD1 4.38Å; P455-L485 HydrophobicContact CB-CD1 3.98Å; P455-L485 HydrophobicContact CB-CD2 4.29Å; P455-L485 HydrophobicContact CB-CG 4.05Å; R456-L485 VanDerWaalsContact C-CD1 3.48Å; R456-L485 WeakPolarHBondContact O-CD1 3.36Å; P482-L485 HydrophobicContact CB-CD1 4.3Å; P482-L485 HydrophobicContact CB-CG 4.38Å; P482-L485 HydrophobicContact CG-CD1 4.31Å; P482-L485 WeakPolarHBondContact O-CB 3.45Å; P482-L485 PolarHBondContact O-N 2.84Å; M483-L485 VanDerWaalsContact C-N 3.25Å; M483-L485 PolarHBondContact O-N 3.19Å
486K92.2Very high93.9Very high27 Ų2731.7 Ų31.712%0.11718%0.18CC..SBendtrans-115.8150.6-170.2-61.6-67.7-176.6-178.50111.1F481 M483 C490 A498 D502F481-K486 HydrophobicContact CB-CD 4.38Å; F481-K486 HydrophobicContact CB-CG 3.99Å; M483-K486 HydrophobicContact CE-CB 4.12Å; M483-K486 PolarHBondContact O-N 2.98Å; K486-C490 HydrophobicContact CB-CB 4.43Å; K486-A498 HydrophobicContact CB-CB 4.2Å; K486-A498 HydrophobicContact CG-CB 4.15Å; K486-D502 VanDerWaalsContact NZ-CG 3.31Å; K486-D502 IonicContact NZ-OD1 3.93Å; K486-D502 PolarHBondContact NZ-OD1 2.73Å; K486-D502 IonicContact NZ-OD2 3.18Å; K486-D502 PolarHBondContact NZ-OD2 2.85Å
487P90.7Very high93.8Very high23 Ų2335.2 Ų35.215%0.14920%0.195CC..  trans-58.8166.7-173-30.239.9000115.2E274 Y489 C490 R527E274-P487 HydrophobicContact CB-CG 4.48Å; P487-Y489 HydrophobicContact CB-CD1 3.79Å; P487-Y489 HydrophobicContact CB-CD2 4.27Å; P487-Y489 HydrophobicContact CB-CE1 3.36Å; P487-Y489 HydrophobicContact CB-CE2 3.85Å; P487-Y489 HydrophobicContact CB-CG 4.24Å; P487-Y489 HydrophobicContact CG-CE1 3.97Å; P487-Y489 HydrophobicContact CG-CE2 4.17Å; P487-Y489 WeakPolarHBondContact CG-OH 3.44Å; P487-Y489 PolarHBondContact O-N 3.26Å; P487-C490 PolarHBondContact O-N 2.8Å; P487-R527 PolarHBondContact O-NH2 3.3Å
488F90.2Very high93.7Very high4 Ų435.1 Ų35.12%0.01820%0.195CC..THydrogen-bonded Turntrans-63.3-25.2-175.564.2-88.4000113.3M306 L524 R527 M528 Y540M306-F488 HydrophobicContact CE-CE2 4.33Å; M306-F488 HydrophobicContact CE-CZ 3.83Å; F488-L524 HydrophobicContact CD2-CD1 3.77Å; F488-L524 HydrophobicContact CE2-CD1 4.25Å; F488-R527 HydrophobicContact CB-CB 4.02Å; F488-R527 VanDerWaalsContact O-CD 3.31Å; F488-R527 WeakPolarHBondContact O-CD 3.5Å; F488-R527 PolarHBondContact O-NE 3.48Å; F488-M528 HydrophobicContact CB-CG 4.29Å; F488-M528 HydrophobicContact CD2-CG 3.28Å; F488-M528 HydrophobicContact CD2-SD 4.02Å; F488-M528 HydrophobicContact CE2-CE 4.12Å; F488-M528 HydrophobicContact CE2-CG 3.71Å; F488-M528 HydrophobicContact CE2-SD 3.87Å; F488-M528 HydrophobicContact CG-CG 3.87Å; F488-Y540 HydrophobicContact CE2-CD1 4.2Å; F488-Y540 AromaticContact CE2-CE1 3.7Å; F488-Y540 HydrophobicContact CE2-CE1 3.7Å; F488-Y540 HydrophobicContact CZ-CE1 4.41Å
489Y91.9Very high93.7Very high12 Ų1236.1 Ų36.15%0.04720%0.199CC..THydrogen-bonded Turntrans-80.8-13-177.855-114000114C273 Q305 P487 Q491 R517 E518 Y540C273-Y489 WeakPolarHBondContact O-CE1 3.27Å; Q305-Y489 VanDerWaalsContact NE2-CD1 3.28Å; Q305-Y489 PolarHBondContact OE1-OH 3.18Å; Q305-Y489 VanDerWaalsContact OE1-OH 3.1Å; P487-Y489 HydrophobicContact CB-CD1 3.79Å; P487-Y489 HydrophobicContact CB-CD2 4.27Å; P487-Y489 HydrophobicContact CB-CE1 3.36Å; P487-Y489 HydrophobicContact CB-CE2 3.85Å; P487-Y489 HydrophobicContact CB-CG 4.24Å; P487-Y489 HydrophobicContact CG-CE1 3.97Å; P487-Y489 HydrophobicContact CG-CE2 4.17Å; P487-Y489 WeakPolarHBondContact CG-OH 3.44Å; P487-Y489 PolarHBondContact O-N 3.26Å; Y489-Q491 PolarHBondContact O-N 3.5Å; Y489-R517 CarbonylContact O-C 3.57Å; Y489-R517 WeakPolarHBondContact O-CA 3.35Å; Y489-E518 PolarHBondContact O-N 2.76Å; Y489-Y540 WeakPolarHBondContact CB-OH 3.49Å
490C94.6Very high93.6Very high2 Ų235.9 Ų35.91%0.01420%0.198CC..BIsolated β-bridgetrans-71.7130.8-179.5-63.10000110.4M483 K486 P487 S515M483-C490 HydrophobicContact CE-CB 3.49Å; M483-C490 VanDerWaalsContact CE-CB 3.49Å; K486-C490 HydrophobicContact CB-CB 4.43Å; P487-C490 PolarHBondContact O-N 2.8Å; C490-S515 VanDerWaalsContact SG-CB 3.57Å; C490-S515 PolarHBondContact SG-OG 2.85Å
491Q95.6Very high93.7Very high27 Ų2734 Ų3413%0.12619%0.189CC..PPolyproline II helixtrans-64.4146.9173.8-172179.618.300110.2Y489 E499 V516Y489-Q491 PolarHBondContact O-N 3.5Å; Q491-E499 HydrophobicContact CB-CB 4.12Å; Q491-E499 HydrophobicContact CB-CG 4.28Å; Q491-E499 HydrophobicContact CG-CG 4.32Å; Q491-E499 PolarHBondContact O-N 3.48Å; Q491-V516 HydrophobicContact CB-CB 4.33Å; Q491-V516 HydrophobicContact CB-CG1 4.42Å; Q491-V516 PolarHBondContact N-O 2.81Å
492S94.8Very high93.7Very high19 Ų1934.7 Ų34.713%0.13319%0.193CC..BIsolated β-bridgetrans-103.8144.4173.2-168.10000112.2G495 K497S492-G495 WeakPolarHBondContact OG-CA 2.98Å; S492-G495 PolarHBondContact OG-N 2.92Å; S492-K497 WeakPolarHBondContact CA-O 3.49Å; S492-K497 PolarHBondContact OG-O 3.07Å
493V92.5Very high93.9Very high72 Ų7234.4 Ų34.444%0.43619%0.191SC..SBendtrans-74.5-52.2172-173.40000111K497 E499V493-K497 HydrophobicContact CB-CB 4.39Å; V493-K497 HydrophobicContact CG2-CB 4.27Å; V493-K497 PolarHBondContact N-O 2.77Å; V493-E499 HydrophobicContact CG2-CG 3.76Å; V493-E499 WeakPolarHBondContact CG2-OE1 3.41Å
494D91.9Very high94.1Very high85 Ų8533.9 Ų33.946%0.45519%0.188SC..SBendtrans-139.59.1-166.758.93.4000113.3I496 K497D494-I496 VanDerWaalsContact C-N 3.29Å; D494-I496 WeakPolarHBondContact OD1-CA 3.4Å; D494-I496 WeakPolarHBondContact OD1-CB 3.34Å; D494-I496 PolarHBondContact OD1-N 2.92Å; D494-K497 PolarHBondContact OD1-N 2.94Å
495G88.5Confident94.4Very high59 Ų5928.8 Ų28.861%0.60816%0.164SC*.SBendtrans86.7-10.6-171.300000114.2S492S492-G495 WeakPolarHBondContact OG-CA 2.98Å; S492-G495 PolarHBondContact OG-N 2.92Å
496I91.2Very high94.4Very high113 Ų11327.7 Ų27.758%0.57916%0.16SC*.SBendtrans-113.8-39.4-175.8-58.2173.7000110.8M483 D494M483-I496 VanDerWaalsContact CB-O 3.27Å; M483-I496 WeakPolarHBondContact CB-O 3.48Å; M483-I496 PolarHBondContact N-O 2.88Å; D494-I496 VanDerWaalsContact C-N 3.29Å; D494-I496 WeakPolarHBondContact OD1-CA 3.4Å; D494-I496 WeakPolarHBondContact OD1-CB 3.34Å; D494-I496 PolarHBondContact OD1-N 2.92Å
497K95.5Very high94Very high73 Ų7329.7 Ų29.732%0.31719%0.188SC..BIsolated β-bridgetrans-106.3145.3-179.3-58177.7-169.9162.50111.4F435 H480 S492 V493 D494F435-K497 HydrophobicContact CE2-CD 4.15Å; F435-K497 HydrophobicContact CE2-CG 4.03Å; H480-K497 HydrophobicContact CB-CB 4.4Å; H480-K497 HydrophobicContact CB-CD 4.3Å; S492-K497 WeakPolarHBondContact CA-O 3.49Å; S492-K497 PolarHBondContact OG-O 3.07Å; V493-K497 HydrophobicContact CB-CB 4.39Å; V493-K497 HydrophobicContact CG2-CB 4.27Å; V493-K497 PolarHBondContact N-O 2.77Å; D494-K497 PolarHBondContact OD1-N 2.94Å
498A96.7Very high93.9Very high0 Ų029.4 Ų29.40%019%0.186CC..BIsolated β-bridgetrans-94.4135.9176.300000111.2H480 F481 M483 K486 C500H480-A498 VanDerWaalsContact CA-O 3.31Å; H480-A498 WeakPolarHBondContact CA-O 3.43Å; F481-A498 WeakPolarHBondContact O-CB 3.27Å; F481-A498 PolarHBondContact O-N 3.08Å; M483-A498 HydrophobicContact CE-CB 3.39Å; M483-A498 WeakPolarHBondContact SD-CA 3.39Å; M483-A498 HydrophobicContact SD-CB 3.56Å; M483-A498 VanDerWaalsContact SD-CB 3.56Å; K486-A498 HydrophobicContact CB-CB 4.2Å; K486-A498 HydrophobicContact CG-CB 4.15Å; A498-C500 HydrophobicContact CB-CB 4.15Å; A498-C500 WeakPolarHBondContact CB-SG 3.46Å; A498-C500 PolarHBondContact O-N 3.29Å
499E97.9Very high94Very high21 Ų2129.2 Ų29.210%0.09819%0.185CC..SBendtrans-71.870166.9-71.1-75.7-172.900109.4I352 Q491 V493 S515 V516I352-E499 WeakPolarHBondContact CB-OE2 3.35Å; I352-E499 WeakPolarHBondContact CG2-OE2 3.46Å; I352-E499 PolarHBondContact N-OE2 3.23Å; Q491-E499 HydrophobicContact CB-CB 4.12Å; Q491-E499 HydrophobicContact CB-CG 4.28Å; Q491-E499 HydrophobicContact CG-CG 4.32Å; Q491-E499 PolarHBondContact O-N 3.48Å; V493-E499 HydrophobicContact CG2-CG 3.76Å; V493-E499 WeakPolarHBondContact CG2-OE1 3.41Å; E499-S515 CarbonylContact O-C 3.51Å; E499-S515 VanDerWaalsContact O-CA 3.27Å; E499-S515 WeakPolarHBondContact O-CA 3.35Å; E499-S515 WeakPolarHBondContact O-CB 3.41Å; E499-V516 HydrophobicContact CB-CB 3.79Å; E499-V516 HydrophobicContact CB-CG2 3.96Å; E499-V516 PolarHBondContact O-N 3.32Å
500C98Very high94.2Very high2 Ų231.4 Ų31.41%0.01420%0.195CC..EExtended strand (participates in β ladder)trans-143.1158.9-174.572.10000111.7I352 T479 H480 A498 A514I352-C500 VanDerWaalsContact CD1-C 3.41Å; T479-C500 CarbonylContact C-O 3.54Å; T479-C500 WeakPolarHBondContact CA-O 3.19Å; H480-C500 PolarHBondContact N-O 3.41Å; A498-C500 HydrophobicContact CB-CB 4.15Å; A498-C500 WeakPolarHBondContact CB-SG 3.46Å; A498-C500 PolarHBondContact O-N 3.29Å; C500-A514 CarbonylContact C-O 3.58Å; C500-A514 WeakPolarHBondContact CA-O 3.35Å; C500-A514 VanDerWaalsContact CB-O 3.27Å; C500-A514 WeakPolarHBondContact CB-O 3.33Å
501A98.5Very high94.3Very high0 Ų031.4 Ų31.40%020%0.195CC..EExtended strand (participates in β ladder)trans-147.2144.3176.200000111.9I352 F477 I478 T479 A514I352-A501 HydrophobicContact CD1-CB 3.76Å; I352-A501 HydrophobicContact CG1-CB 3.91Å; F477-A501 HydrophobicContact CD1-CB 4.03Å; I478-A501 CarbonylContact O-C 3.57Å; I478-A501 WeakPolarHBondContact O-CA 3.36Å; T479-A501 HydrophobicContact CG2-CB 3.97Å; A501-A514 PolarHBondContact N-O 2.7Å; A501-A514 PolarHBondContact O-N 2.7Å
502D98.4Very high94.5Very high15 Ų1530.2 Ų30.28%0.0819%0.19CC..EExtended strand (participates in β ladder)trans-109.8130.2165.9-59-17.5000107.5F477 I478 F481 K486 E510 V512F477-D502 WeakPolarHBondContact CA-O 3.42Å; I478-D502 PolarHBondContact N-O 3.22Å; I478-D502 PolarHBondContact O-N 3.1Å; F481-D502 HydrophobicContact CE2-CB 4.08Å; F481-D502 WeakPolarHBondContact CE2-OD2 3.31Å; F481-D502 HydrophobicContact CZ-CB 4.11Å; F481-D502 WeakPolarHBondContact CZ-OD2 3.42Å; K486-D502 VanDerWaalsContact NZ-CG 3.31Å; K486-D502 IonicContact NZ-OD1 3.93Å; K486-D502 PolarHBondContact NZ-OD1 2.73Å; K486-D502 IonicContact NZ-OD2 3.18Å; K486-D502 PolarHBondContact NZ-OD2 2.85Å; D502-E510 HydrophobicContact CB-CG 4.38Å; D502-V512 CarbonylContact C-O 3.53Å; D502-V512 WeakPolarHBondContact CA-O 3.37Å
503L98.6Very high94.6Very high1 Ų130.5 Ų30.51%0.00520%0.196CC..EExtended strand (participates in β ladder)trans-101.2111.6-179.5-178.754.4000110.1I359 I363 F429 P475 F477 F505 L511 V512I359-L503 HydrophobicContact CG2-CD2 4.01Å; I363-L503 HydrophobicContact CD1-CD2 3.45Å; I363-L503 VanDerWaalsContact CD1-CD2 3.45Å; F429-L503 HydrophobicContact CD2-CD1 3.96Å; F429-L503 HydrophobicContact CD2-CD2 4.25Å; F429-L503 HydrophobicContact CE2-CD2 4.15Å; P475-L503 HydrophobicContact CB-CD1 3.82Å; F477-L503 HydrophobicContact CD1-CB 3.85Å; F477-L503 HydrophobicContact CD1-CD1 3.78Å; F477-L503 HydrophobicContact CD1-CG 4.24Å; F477-L503 HydrophobicContact CD2-CD1 3.9Å; F477-L503 HydrophobicContact CE1-CB 3.75Å; F477-L503 HydrophobicContact CE1-CD1 3.8Å; F477-L503 HydrophobicContact CE1-CD2 3.77Å; F477-L503 HydrophobicContact CE1-CG 3.97Å; F477-L503 HydrophobicContact CE2-CD1 3.92Å; F477-L503 HydrophobicContact CE2-CD2 4.49Å; F477-L503 HydrophobicContact CG-CD1 3.84Å; F477-L503 HydrophobicContact CZ-CD1 3.87Å; F477-L503 HydrophobicContact CZ-CD2 3.76Å; F477-L503 HydrophobicContact CZ-CG 4.26Å; L503-F505 HydrophobicContact CD1-CE2 4.31Å; L503-F505 HydrophobicContact CD2-CD2 4.4Å; L503-F505 HydrophobicContact CD2-CE2 3.65Å; L503-F505 HydrophobicContact CG-CD2 4.02Å; L503-F505 HydrophobicContact CG-CE2 3.73Å; L503-L511 PolarHBondContact O-N 3.48Å; L503-V512 HydrophobicContact CB-CB 3.88Å; L503-V512 HydrophobicContact CB-CG2 4.37Å; L503-V512 HydrophobicContact CD2-CB 4.46Å; L503-V512 HydrophobicContact CD2-CG2 4.17Å; L503-V512 PolarHBondContact N-O 3.2Å
504L97.6Very high94.9Very high3 Ų327.5 Ų27.52%0.01618%0.178CC..EExtended strand (participates in β ladder)trans-89.7135.8177-51.3-170.4000110.8E463 I466 L467 P475 V476 I478 G509 E510E463-L504 HydrophobicContact CB-CD1 3.89Å; E463-L504 HydrophobicContact CB-CD2 4.32Å; E463-L504 HydrophobicContact CG-CD1 4.12Å; E463-L504 HydrophobicContact CG-CD2 3.9Å; I466-L504 HydrophobicContact CB-CD1 4.48Å; I466-L504 HydrophobicContact CG2-CD1 4.38Å; L467-L504 HydrophobicContact CD1-CB 4.09Å; L467-L504 HydrophobicContact CD2-CB 3.85Å; L467-L504 HydrophobicContact CG-CB 3.97Å; L467-L504 HydrophobicContact CG-CD1 4.38Å; P475-L504 CarbonylContact C-O 3.52Å; P475-L504 WeakPolarHBondContact CA-O 3.36Å; P475-L504 WeakPolarHBondContact CB-O 3.19Å; V476-L504 PolarHBondContact N-O 3.45Å; V476-L504 PolarHBondContact O-N 2.79Å; I478-L504 HydrophobicContact CD1-CD1 3.55Å; I478-L504 HydrophobicContact CD1-CG 4.08Å; I478-L504 HydrophobicContact CG1-CD1 4.26Å; I478-L504 HydrophobicContact CG1-CG 4.42Å; L504-G509 CarbonylContact C-O 3.52Å; L504-G509 WeakPolarHBondContact CA-O 3.21Å; L504-E510 HydrophobicContact CD2-CB 3.86Å; L504-E510 HydrophobicContact CD2-CG 4.5Å
505F95.4Very high95.2Very high0 Ų023.7 Ų23.70%016%0.158CC..EExtended strand (participates in β ladder)trans-113.2141.4173.7-93.9-110.7000111.2I363 L367 M424 F429 L467 P475 L503 G507 I508 G509 L511 F564I363-F505 HydrophobicContact CG2-CE2 4.46Å; I363-F505 HydrophobicContact CG2-CZ 3.73Å; L367-F505 HydrophobicContact CD1-CE1 3.89Å; L367-F505 HydrophobicContact CD1-CZ 4.17Å; M424-F505 HydrophobicContact CE-CE1 4.16Å; M424-F505 HydrophobicContact SD-CE1 4.21Å; F429-F505 HydrophobicContact CE2-CE2 4.41Å; F429-F505 HydrophobicContact CE2-CZ 4.17Å; F429-F505 HydrophobicContact CZ-CZ 4.09Å; L467-F505 VanDerWaalsContact CD1-O 3.27Å; L467-F505 WeakPolarHBondContact CD1-O 3.43Å; P475-F505 HydrophobicContact CB-CD2 4Å; P475-F505 HydrophobicContact CB-CE1 4.49Å; P475-F505 HydrophobicContact CB-CE2 3.8Å; P475-F505 HydrophobicContact CB-CG 4.42Å; P475-F505 HydrophobicContact CB-CZ 4.04Å; P475-F505 HydrophobicContact CG-CD1 3.98Å; P475-F505 HydrophobicContact CG-CD2 4.15Å; P475-F505 HydrophobicContact CG-CE1 3.66Å; P475-F505 HydrophobicContact CG-CE2 3.84Å; P475-F505 HydrophobicContact CG-CG 4.2Å; P475-F505 HydrophobicContact CG-CZ 3.55Å; L503-F505 HydrophobicContact CD1-CE2 4.31Å; L503-F505 HydrophobicContact CD2-CD2 4.4Å; L503-F505 HydrophobicContact CD2-CE2 3.65Å; L503-F505 HydrophobicContact CG-CD2 4.02Å; L503-F505 HydrophobicContact CG-CE2 3.73Å; F505-G507 PolarHBondContact O-N 3Å; F505-I508 HydrophobicContact CB-CD1 3.89Å; F505-I508 HydrophobicContact CB-CG1 3.42Å; F505-I508 VanDerWaalsContact CB-CG1 3.42Å; F505-I508 PolarHBondContact O-N 3.23Å; F505-G509 PolarHBondContact N-O 3.24Å; F505-G509 PolarHBondContact O-N 3.05Å; F505-L511 HydrophobicContact CB-CB 4.49Å; F505-L511 HydrophobicContact CD1-CD2 4.23Å; F505-L511 HydrophobicContact CD2-CB 3.71Å; F505-L511 HydrophobicContact CD2-CD2 3.47Å; F505-L511 VanDerWaalsContact CD2-CD2 3.47Å; F505-L511 HydrophobicContact CD2-CG 4.23Å; F505-L511 HydrophobicContact CE1-CD2 4.24Å; F505-L511 HydrophobicContact CE2-CB 4.34Å; F505-L511 HydrophobicContact CE2-CD2 3.46Å; F505-L511 VanDerWaalsContact CE2-CD2 3.46Å; F505-L511 HydrophobicContact CG-CB 4.31Å; F505-L511 HydrophobicContact CG-CD2 3.89Å; F505-L511 HydrophobicContact CZ-CD2 3.89Å; F505-F564 HydrophobicContact CB-CD2 4.45Å; F505-F564 AromaticContact CD1-CD1 3.87Å; F505-F564 HydrophobicContact CD1-CD1 3.87Å; F505-F564 AromaticContact CD1-CD2 3.82Å; F505-F564 HydrophobicContact CD1-CD2 3.82Å; F505-F564 AromaticContact CD1-CE1 3.76Å; F505-F564 HydrophobicContact CD1-CE1 3.76Å; F505-F564 AromaticContact CD1-CE2 3.72Å; F505-F564 HydrophobicContact CD1-CE2 3.72Å; F505-F564 AromaticContact CD1-CG 3.9Å; F505-F564 HydrophobicContact CD1-CG 3.9Å; F505-F564 AromaticContact CD1-CZ 3.69Å; F505-F564 HydrophobicContact CD1-CZ 3.69Å; F505-F564 HydrophobicContact CE1-CD1 4.06Å; F505-F564 AromaticContact CE1-CE1 3.73Å; F505-F564 HydrophobicContact CE1-CE1 3.73Å; F505-F564 HydrophobicContact CE1-CE2 4.43Å; F505-F564 AromaticContact CE1-CZ 3.94Å; F505-F564 HydrophobicContact CE1-CZ 3.94Å
506P90.8Very high95.6Very high23 Ų2320.9 Ų20.915%0.14913%0.13CC..THydrogen-bonded Turntrans-52.7136.3174.7-26.133.9000112.7L467 I508L467-P506 HydrophobicContact CD2-CG 4.46Å; P506-I508 PolarHBondContact O-N 3.26Å
507G84.1Confident95.9Very high69 Ų6915.7 Ų15.771%0.71110%0.103SC*.THydrogen-bonded Turntrans75.5-19.5177.600000116.2F505F505-G507 PolarHBondContact O-N 3Å
508I89.5Confident95.8Very high18 Ų1812.4 Ų12.49%0.0929%0.088CC..THydrogen-bonded Turntrans-113.4-30.8-179.174100.9000113.1K460 F505 P506 L511 R560 Q563 F564K460-I508 WeakPolarHBondContact CE-O 3.36Å; K460-I508 PolarHBondContact NZ-O 3.18Å; F505-I508 HydrophobicContact CB-CD1 3.89Å; F505-I508 HydrophobicContact CB-CG1 3.42Å; F505-I508 VanDerWaalsContact CB-CG1 3.42Å; F505-I508 PolarHBondContact O-N 3.23Å; P506-I508 PolarHBondContact O-N 3.26Å; I508-L511 HydrophobicContact CD1-CB 3.88Å; I508-L511 HydrophobicContact CD1-CD1 4.23Å; I508-R560 HydrophobicContact CD1-CB 4.31Å; I508-Q563 HydrophobicContact CG2-CB 4.17Å; I508-F564 HydrophobicContact CG2-CB 4.04Å
509G92.3Very high95.6Very high0 Ų014.3 Ų14.30%010%0.099CC..EExtended strand (participates in β ladder)trans82.3-138.6-171.800000112.5E463 L504 F505 L511E463-G509 VanDerWaalsContact OE2-CA 3.26Å; E463-G509 WeakPolarHBondContact OE2-CA 3.39Å; L504-G509 CarbonylContact C-O 3.52Å; L504-G509 WeakPolarHBondContact CA-O 3.21Å; F505-G509 PolarHBondContact N-O 3.24Å; F505-G509 PolarHBondContact O-N 3.05Å; G509-L511 PolarHBondContact O-N 3.4Å
510E95.8Very high95.3Very high57 Ų5715.8 Ų15.827%0.26611%0.109SC..EExtended strand (participates in β ladder)trans-58.2122.2-177.9-172.3-157.2169.500112.9E463 D502 L504 R560E463-E510 PolarHBondContact OE2-N 2.92Å; D502-E510 HydrophobicContact CB-CG 4.38Å; L504-E510 HydrophobicContact CD2-CB 3.86Å; L504-E510 HydrophobicContact CD2-CG 4.5Å; E510-R560 WeakPolarHBondContact O-CD 3.33Å; E510-R560 PolarHBondContact O-NH1 3.2Å; E510-R560 IonicContact OE2-NH1 3.23Å; E510-R560 PolarHBondContact OE2-NH1 3.44Å
511L97.5Very high95Very high3 Ų317.3 Ų17.32%0.01612%0.122CC..EExtended strand (participates in β ladder)trans-104.4-38.3173.9-175.959.2000112.4L503 F505 I508 G509 L556 G557 R560 L561L503-L511 PolarHBondContact O-N 3.48Å; F505-L511 HydrophobicContact CB-CB 4.49Å; F505-L511 HydrophobicContact CD1-CD2 4.23Å; F505-L511 HydrophobicContact CD2-CB 3.71Å; F505-L511 HydrophobicContact CD2-CD2 3.47Å; F505-L511 VanDerWaalsContact CD2-CD2 3.47Å; F505-L511 HydrophobicContact CD2-CG 4.23Å; F505-L511 HydrophobicContact CE1-CD2 4.24Å; F505-L511 HydrophobicContact CE2-CB 4.34Å; F505-L511 HydrophobicContact CE2-CD2 3.46Å; F505-L511 VanDerWaalsContact CE2-CD2 3.46Å; F505-L511 HydrophobicContact CG-CB 4.31Å; F505-L511 HydrophobicContact CG-CD2 3.89Å; F505-L511 HydrophobicContact CZ-CD2 3.89Å; I508-L511 HydrophobicContact CD1-CB 3.88Å; I508-L511 HydrophobicContact CD1-CD1 4.23Å; G509-L511 PolarHBondContact O-N 3.4Å; L511-L556 HydrophobicContact CD1-CG 4.32Å; L511-L556 HydrophobicContact CD2-CD1 4.33Å; L511-L556 HydrophobicContact CG-CD1 4.38Å; L511-L556 HydrophobicContact CG-CG 4.13Å; L511-G557 PolarHBondContact O-N 3.48Å; L511-R560 HydrophobicContact CD1-CB 3.65Å; L511-L561 HydrophobicContact CD1-CB 4.14Å
512V98.4Very high94.7Very high1 Ų120.8 Ų20.81%0.00615%0.146CC..EExtended strand (participates in β ladder)trans-133.7133.9-172.1-177.20000110.4I359 I363 D502 L503 A514 F554 G555 L556I359-V512 HydrophobicContact CG2-CG1 4.46Å; I363-V512 HydrophobicContact CD1-CG2 3.85Å; D502-V512 CarbonylContact C-O 3.53Å; D502-V512 WeakPolarHBondContact CA-O 3.37Å; L503-V512 HydrophobicContact CB-CB 3.88Å; L503-V512 HydrophobicContact CB-CG2 4.37Å; L503-V512 HydrophobicContact CD2-CB 4.46Å; L503-V512 HydrophobicContact CD2-CG2 4.17Å; L503-V512 PolarHBondContact N-O 3.2Å; V512-A514 HydrophobicContact CG1-CB 4.47Å; V512-F554 HydrophobicContact CG1-CB 3.6Å; V512-F554 HydrophobicContact CG1-CD2 3.79Å; V512-F554 HydrophobicContact CG1-CG 4.04Å; V512-G555 VanDerWaalsContact CA-O 3.27Å; V512-G555 WeakPolarHBondContact CA-O 3.46Å; V512-G555 WeakPolarHBondContact CG1-O 3.49Å; V512-L556 HydrophobicContact CG2-CB 3.85Å; V512-L556 HydrophobicContact CG2-CD1 3.85Å; V512-L556 HydrophobicContact CG2-CG 3.9Å
513G97.7Very high94.3Very high26 Ų2626.5 Ų26.527%0.26817%0.167SC..EExtended strand (participates in β ladder)trans-105.6133.9161.300000109.8F554 G555G513-F554 CarbonylContact O-C 3.59Å; G513-F554 VanDerWaalsContact O-CA 3.28Å; G513-F554 WeakPolarHBondContact O-CA 3.31Å; G513-G555 PolarHBondContact N-O 3.49Å; G513-G555 VanDerWaalsContact N-O 3.11Å; G513-G555 PolarHBondContact O-N 2.93Å
514A98.4Very high94Very high8 Ų826.5 Ų26.57%0.06617%0.166CC..EExtended strand (participates in β ladder)trans-140.3146.2-174.200000112.1L355 I359 C500 A501 V512 G553 F554L355-A514 HydrophobicContact CD2-CB 4.01Å; L355-A514 HydrophobicContact CG-CB 4.41Å; I359-A514 HydrophobicContact CD1-CB 3.4Å; I359-A514 VanDerWaalsContact CD1-CB 3.4Å; C500-A514 CarbonylContact C-O 3.58Å; C500-A514 WeakPolarHBondContact CA-O 3.35Å; C500-A514 VanDerWaalsContact CB-O 3.27Å; C500-A514 WeakPolarHBondContact CB-O 3.33Å; A501-A514 PolarHBondContact N-O 2.7Å; A501-A514 PolarHBondContact O-N 2.7Å; V512-A514 HydrophobicContact CG1-CB 4.47Å; A514-G553 WeakPolarHBondContact CA-O 3.37Å; A514-F554 HydrophobicContact CB-CB 3.82Å
515S98.1Very high93.6Very high5 Ų530.4 Ų30.44%0.03519%0.185CC..EExtended strand (participates in β ladder)trans-155.7153166.757.50000113.4L355 C490 E499 R517 G552 G553L355-S515 VanDerWaalsContact CD2-C 3.41Å; L355-S515 WeakPolarHBondContact CD2-O 3.41Å; C490-S515 VanDerWaalsContact SG-CB 3.57Å; C490-S515 PolarHBondContact SG-OG 2.85Å; E499-S515 CarbonylContact O-C 3.51Å; E499-S515 VanDerWaalsContact O-CA 3.27Å; E499-S515 WeakPolarHBondContact O-CA 3.35Å; E499-S515 WeakPolarHBondContact O-CB 3.41Å; S515-R517 PolarHBondContact O-NE 3.34Å; S515-R517 PolarHBondContact O-NH1 3.13Å; S515-R517 PolarHBondContact OG-NH1 3.23Å; S515-G552 WeakPolarHBondContact O-CA 3.3Å; S515-G553 PolarHBondContact N-O 3.04Å; S515-G553 PolarHBondContact O-N 3.2Å; S515-G553 VanDerWaalsContact O-N 3.1Å
516V98.2Very high93.3Very high0 Ų035 Ų350%021%0.213CC..EExtended strand (participates in β ladder)trans-77.2141.5163.5-1690000108.2L349 N351 L355 Q491 E499 H551L349-V516 VanDerWaalsContact O-CG1 3.3Å; L349-V516 WeakPolarHBondContact O-CG1 3.32Å; N351-V516 VanDerWaalsContact C-CG2 3.44Å; L355-V516 HydrophobicContact CB-CG2 4.49Å; L355-V516 HydrophobicContact CD2-CG2 4.29Å; Q491-V516 HydrophobicContact CB-CB 4.33Å; Q491-V516 HydrophobicContact CB-CG1 4.42Å; Q491-V516 PolarHBondContact N-O 2.81Å; E499-V516 HydrophobicContact CB-CB 3.79Å; E499-V516 HydrophobicContact CB-CG2 3.96Å; E499-V516 PolarHBondContact O-N 3.32Å; V516-H551 VanDerWaalsContact CG1-O 3.31Å; V516-H551 WeakPolarHBondContact CG1-O 3.43Å
517R96.3Very high93.1Very high5 Ų535.9 Ų35.92%0.01921%0.213CC..BIsolated β-bridgetrans-93.2142.2-172.5-46.1-51178.2-1744.3111.2Q305 E309 E345 Y489 S515 N519 H551 G553Q305-R517 VanDerWaalsContact CG-NH2 3.33Å; Q305-R517 VanDerWaalsContact OE1-CZ 3.31Å; E309-R517 HydrophobicContact CG-CG 4.15Å; E345-R517 WeakPolarHBondContact OE1-CG 3.42Å; E345-R517 IonicContact OE1-NE 3.13Å; E345-R517 PolarHBondContact OE1-NE 3.47Å; E345-R517 IonicContact OE2-CZ 3.9Å; E345-R517 IonicContact OE2-NE 2.69Å; E345-R517 PolarHBondContact OE2-NE 2.98Å; E345-R517 IonicContact OE2-NH2 3.23Å; E345-R517 PolarHBondContact OE2-NH2 3.47Å; Y489-R517 CarbonylContact O-C 3.57Å; Y489-R517 WeakPolarHBondContact O-CA 3.35Å; S515-R517 PolarHBondContact O-NE 3.34Å; S515-R517 PolarHBondContact O-NH1 3.13Å; S515-R517 PolarHBondContact OG-NH1 3.23Å; R517-N519 PolarHBondContact O-N 3.21Å; R517-N519 VanDerWaalsContact O-N 3.08Å; R517-H551 WeakPolarHBondContact CB-CE1 3.39Å; R517-H551 WeakPolarHBondContact CG-CE1 3.49Å; R517-H551 VanDerWaalsContact CG-ND1 3.31Å; R517-H551 WeakPolarHBondContact CG-ND1 3.48Å; R517-H551 PolarHBondContact N-O 2.87Å; R517-G553 VanDerWaalsContact NH2-C 3.33Å; R517-G553 VanDerWaalsContact NH2-CA 3.32Å; R517-G553 PolarHBondContact NH2-O 3.05Å
518E94.2Very high93.1Very high3 Ų333.4 Ų33.41%0.01418%0.183CC..  trans-65.7109.7173.1-178.960-99.800109.3Y489 V520 R523 L524 R544Y489-E518 PolarHBondContact O-N 2.76Å; E518-V520 WeakPolarHBondContact OE1-CB 3.43Å; E518-V520 PolarHBondContact OE1-N 3.48Å; E518-R523 HydrophobicContact CG-CB 3.96Å; E518-R523 WeakPolarHBondContact OE2-CD 3.28Å; E518-L524 HydrophobicContact CB-CD1 4.29Å; E518-L524 HydrophobicContact CG-CB 4.01Å; E518-R544 PolarHBondContact O-NE 3.34Å; E518-R544 PolarHBondContact O-NH2 3.02Å
519N92.4Very high92.7Very high41 Ų4140 Ų4022%0.21921%0.211CC..  trans-93.3-8.1-178.164.4-17.6000112.6R517 R544R517-N519 PolarHBondContact O-N 3.21Å; R517-N519 VanDerWaalsContact O-N 3.08Å; N519-R544 WeakPolarHBondContact O-CB 3.4Å; N519-R544 VanDerWaalsContact O-CG 3.24Å; N519-R544 WeakPolarHBondContact O-CG 3.3Å
520V91.7Very high91.8Very high51 Ų5144.1 Ų44.131%0.30924%0.24SC..  trans-93.2111.8176.3-175.70000110.6E518 S522 R523 L524E518-V520 WeakPolarHBondContact OE1-CB 3.43Å; E518-V520 PolarHBondContact OE1-N 3.48Å; V520-S522 VanDerWaalsContact C-N 3.32Å; V520-S522 WeakPolarHBondContact CG1-OG 3.47Å; V520-S522 PolarHBondContact O-N 3.21Å; V520-R523 HydrophobicContact CB-CB 4.24Å; V520-R523 HydrophobicContact CB-CG 4.08Å; V520-R523 HydrophobicContact CG1-CB 4.45Å; V520-R523 HydrophobicContact CG1-CG 4Å; V520-R523 PolarHBondContact O-N 2.82Å; V520-R523 VanDerWaalsContact O-N 3.13Å; V520-L524 PolarHBondContact O-N 2.95Å
521A91.6Very high90.2Very high35 Ų3544.9 Ų44.929%0.28925%0.246SC..Hα-helixtrans-52-43.2-176.500000114.1L524 Q525 I541 R544A521-L524 PolarHBondContact O-N 3.35Å; A521-Q525 WeakPolarHBondContact O-CB 3.2Å; A521-Q525 PolarHBondContact O-N 2.93Å; A521-I541 HydrophobicContact CB-CG2 4.09Å; A521-R544 HydrophobicContact CB-CB 3.81Å
522S91.6Very high88.3Confident73 Ų7355.4 Ų55.451%0.5129%0.286SS..Hα-helixtrans-68.6-36.2-178.357.30000113.3V520 T526V520-S522 VanDerWaalsContact C-N 3.32Å; V520-S522 WeakPolarHBondContact CG1-OG 3.47Å; V520-S522 PolarHBondContact O-N 3.21Å; S522-T526 PolarHBondContact O-N 3.34Å; S522-T526 VanDerWaalsContact O-N 3.07Å; S522-T526 PolarHBondContact O-OG1 3.09Å
523R91.3Very high86.2Confident135 Ų13557 Ų5751%0.50930%0.297SS..Hα-helixtrans-68.8-45.9175.2-66.3-177.5-176172.2-1.5110.5E518 V520 Q525 T526 R527E518-R523 HydrophobicContact CG-CB 3.96Å; E518-R523 WeakPolarHBondContact OE2-CD 3.28Å; V520-R523 HydrophobicContact CB-CB 4.24Å; V520-R523 HydrophobicContact CB-CG 4.08Å; V520-R523 HydrophobicContact CG1-CB 4.45Å; V520-R523 HydrophobicContact CG1-CG 4Å; V520-R523 PolarHBondContact O-N 2.82Å; V520-R523 VanDerWaalsContact O-N 3.13Å; R523-Q525 PolarHBondContact O-N 3.01Å; R523-T526 WeakPolarHBondContact O-CB 3.48Å; R523-T526 PolarHBondContact O-N 3.3Å; R523-R527 WeakPolarHBondContact O-CG 3.44Å; R523-R527 PolarHBondContact O-N 3.22Å
524L90.6Very high83.9Confident0 Ų061.4 Ų61.40%032%0.319CS..Hα-helixtrans-57.8-47.2175.5-174.366.2000111.5F488 E518 V520 A521 T526 R527 M528 Y540 I541 R544F488-L524 HydrophobicContact CD2-CD1 3.77Å; F488-L524 HydrophobicContact CE2-CD1 4.25Å; E518-L524 HydrophobicContact CB-CD1 4.29Å; E518-L524 HydrophobicContact CG-CB 4.01Å; V520-L524 PolarHBondContact O-N 2.95Å; A521-L524 PolarHBondContact O-N 3.35Å; L524-T526 VanDerWaalsContact C-N 3.31Å; L524-T526 PolarHBondContact O-N 3.01Å; L524-R527 PolarHBondContact O-N 3.26Å; L524-M528 HydrophobicContact CG-SD 4.17Å; L524-M528 WeakPolarHBondContact O-CG 3.44Å; L524-M528 PolarHBondContact O-N 3.39Å; L524-Y540 HydrophobicContact CD1-CE1 4.27Å; L524-Y540 HydrophobicContact CD2-CD1 3.99Å; L524-Y540 HydrophobicContact CD2-CE1 3.89Å; L524-I541 HydrophobicContact CD2-CG1 4.28Å; L524-R544 HydrophobicContact CD2-CG 4.49Å
525Q89.5Confident81.7Confident85 Ų8566.8 Ų66.840%0.39735%0.347SS..Hα-helixtrans-60.3-40.5177.3-170.5-178.742.200112.2A521 R523 R527 M528 K529 I541A521-Q525 WeakPolarHBondContact O-CB 3.2Å; A521-Q525 PolarHBondContact O-N 2.93Å; R523-Q525 PolarHBondContact O-N 3.01Å; Q525-R527 VanDerWaalsContact C-N 3.35Å; Q525-M528 PolarHBondContact O-N 3Å; Q525-K529 WeakPolarHBondContact O-CG 3.16Å; Q525-K529 PolarHBondContact O-N 3.22Å; Q525-I541 HydrophobicContact CB-CD1 4.08Å; Q525-I541 HydrophobicContact CG-CD1 4.08Å
526T89.4Confident79.7Confident97 Ų9773.7 Ų73.760%0.59538%0.378SS*.Hα-helixtrans-62.3-43.1177.4-58.40000111.1S522 R523 L524 K529 S530S522-T526 PolarHBondContact O-N 3.34Å; S522-T526 VanDerWaalsContact O-N 3.07Å; S522-T526 PolarHBondContact O-OG1 3.09Å; R523-T526 WeakPolarHBondContact O-CB 3.48Å; R523-T526 PolarHBondContact O-N 3.3Å; L524-T526 VanDerWaalsContact C-N 3.31Å; L524-T526 PolarHBondContact O-N 3.01Å; T526-K529 PolarHBondContact O-N 3.39Å; T526-S530 PolarHBondContact O-N 2.89Å
527R86Confident78.4Confident41 Ų4174 Ų7416%0.15538%0.38CS..Hα-helixtrans-70.9-36.6179-66.9176.365.694.115.3113.7M483 P487 F488 R523 L524 Q525 K529 S530 N531M483-R527 VanDerWaalsContact CE-CZ 3.44Å; M483-R527 VanDerWaalsContact CE-NH1 3.31Å; M483-R527 PolarHBondContact SD-NH1 3.03Å; P487-R527 PolarHBondContact O-NH2 3.3Å; F488-R527 HydrophobicContact CB-CB 4.02Å; F488-R527 VanDerWaalsContact O-CD 3.31Å; F488-R527 WeakPolarHBondContact O-CD 3.5Å; F488-R527 PolarHBondContact O-NE 3.48Å; R523-R527 WeakPolarHBondContact O-CG 3.44Å; R523-R527 PolarHBondContact O-N 3.22Å; L524-R527 PolarHBondContact O-N 3.26Å; Q525-R527 VanDerWaalsContact C-N 3.35Å; R527-K529 VanDerWaalsContact C-N 3.31Å; R527-K529 PolarHBondContact O-N 3.41Å; R527-S530 WeakPolarHBondContact CA-OG 3.48Å; R527-S530 PolarHBondContact O-N 3.12Å; R527-S530 PolarHBondContact O-OG 3.38Å; R527-N531 PolarHBondContact O-N 2.98Å
528M85Confident77.8Confident17 Ų1777.9 Ų77.98%0.08440%0.402CS..Hα-helixtrans-64-38.6176.1-72.7-179.976.400111.3F488 L524 Q525 S530 N531 I541F488-M528 HydrophobicContact CB-CG 4.29Å; F488-M528 HydrophobicContact CD2-CG 3.28Å; F488-M528 HydrophobicContact CD2-SD 4.02Å; F488-M528 HydrophobicContact CE2-CE 4.12Å; F488-M528 HydrophobicContact CE2-CG 3.71Å; F488-M528 HydrophobicContact CE2-SD 3.87Å; F488-M528 HydrophobicContact CG-CG 3.87Å; L524-M528 HydrophobicContact CG-SD 4.17Å; L524-M528 WeakPolarHBondContact O-CG 3.44Å; L524-M528 PolarHBondContact O-N 3.39Å; Q525-M528 PolarHBondContact O-N 3Å; M528-S530 VanDerWaalsContact C-N 3.33Å; M528-S530 PolarHBondContact O-N 2.76Å; M528-N531 PolarHBondContact O-N 3.35Å; M528-I541 HydrophobicContact SD-CD1 3.84Å; M528-I541 HydrophobicContact SD-CG1 3.75Å
529K81.9Confident77.5Confident157 Ų15783 Ų8368%0.68342%0.421SS*.Hα-helixtrans-62.6-36.9175.2-72.9175.6-179.3176.80112.7Q525 T526 R527Q525-K529 WeakPolarHBondContact O-CG 3.16Å; Q525-K529 PolarHBondContact O-N 3.22Å; T526-K529 PolarHBondContact O-N 3.39Å; R527-K529 VanDerWaalsContact C-N 3.31Å; R527-K529 PolarHBondContact O-N 3.41Å
530S71.7Confident77.4Confident86 Ų8681 Ų8160%0.60141%0.41SS*.Hα-helixtrans-73.5-27.5178.148.10000113.9T526 R527 M528 R532T526-S530 PolarHBondContact O-N 2.89Å; R527-S530 WeakPolarHBondContact CA-OG 3.48Å; R527-S530 PolarHBondContact O-N 3.12Å; R527-S530 PolarHBondContact O-OG 3.38Å; M528-S530 VanDerWaalsContact C-N 3.33Å; M528-S530 PolarHBondContact O-N 2.76Å; S530-R532 PolarHBondContact O-N 3.05Å
531N63.8Low77.3Confident74 Ų7479.6 Ų79.640%0.39640%0.401SS..THydrogen-bonded Turntrans-89.210.8-171.4-82.93.5000115.7R527 M528 S533R527-N531 PolarHBondContact O-N 2.98Å; M528-N531 PolarHBondContact O-N 3.35Å; N531-S533 PolarHBondContact O-N 2.72Å
532R57.2Low77.3Confident224 Ų22482.7 Ų82.785%0.84541%0.412SS*.THydrogen-bonded Turntrans53.417.2-177-60.7-175.6177.9176.4-0.4114.6S530 T534S530-R532 PolarHBondContact O-N 3.05Å; R532-T534 PolarHBondContact O-N 3.02Å; R532-T534 PolarHBondContact O-OG1 3.22Å
533S54.8Low77.4Confident35 Ų3580.1 Ų80.125%0.24539%0.393CS..  trans-75.670170.6-450000108.4N531 N535N531-S533 PolarHBondContact O-N 2.72Å; S533-N535 VanDerWaalsContact C-N 3.29Å; S533-N535 PolarHBondContact O-N 3.48Å
534T47.6Very low77.4Confident118 Ų11874.6 Ų74.672%0.72437%0.372SS*.  trans-74.7-11.5-167.910.90000114.8R532 Q536R532-T534 PolarHBondContact O-N 3.02Å; R532-T534 PolarHBondContact O-OG1 3.22Å; T534-Q536 PolarHBondContact O-N 3.38Å; T534-Q536 VanDerWaalsContact O-N 3.14Å
535N52.8Low77.2Confident121 Ų12177.7 Ų77.765%0.64740%0.404SS*.SBendtrans-89.884.1172.5-72.1-5.7000109.5S533 S537S533-N535 VanDerWaalsContact C-N 3.29Å; S533-N535 PolarHBondContact O-N 3.48Å; N535-S537 PolarHBondContact O-N 3.35Å
536Q56Low77Confident149 Ų14978.9 Ų78.970%0.69642%0.417SS*.  trans-41.5113.2175.1-64.3170.10.100111.5T534 D538T534-Q536 PolarHBondContact O-N 3.38Å; T534-Q536 VanDerWaalsContact O-N 3.14Å; Q536-D538 VanDerWaalsContact C-N 3.27Å; Q536-D538 PolarHBondContact O-N 2.97Å
537S70.5Confident76.6Confident7 Ų777 Ų775%0.04942%0.417CS..  trans-90.173.8157.4-77.60000107.7N535 W539 Y540 I541N535-S537 PolarHBondContact O-N 3.35Å; S537-W539 VanDerWaalsContact CB-CD1 3.44Å; S537-W539 PolarHBondContact O-N 2.96Å; S537-W539 VanDerWaalsContact O-N 3.13Å; S537-W539 PolarHBondContact OG-NE1 3.38Å; S537-Y540 WeakPolarHBondContact O-CA 3.39Å; S537-Y540 WeakPolarHBondContact O-CB 3.41Å; S537-Y540 PolarHBondContact O-N 3.32Å; S537-I541 PolarHBondContact O-N 2.86Å
538D84.5Confident76.6Confident87 Ų8776.3 Ų76.347%0.46542%0.419SS..Hα-helixtrans-50.6-35.7172.1-79.7-16.2000110.3Q536 Y540 I541 N542Q536-D538 VanDerWaalsContact C-N 3.27Å; Q536-D538 PolarHBondContact O-N 2.97Å; D538-Y540 VanDerWaalsContact C-N 3.28Å; D538-Y540 PolarHBondContact O-N 3.28Å; D538-I541 PolarHBondContact O-N 2.99Å; D538-N542 VanDerWaalsContact O-CB 3.27Å; D538-N542 WeakPolarHBondContact O-CB 3.36Å; D538-N542 PolarHBondContact O-N 3.4Å; D538-N542 PolarHBondContact O-ND2 3.27Å
539W87.3Confident77.1Confident109 Ų10977.3 Ų77.341%0.41343%0.425SS..Hα-helixtrans-53.9-42.1171.577.2-95.7000112.9M306 S537 N542 L543M306-W539 HydrophobicContact CB-CH2 4.25Å; S537-W539 VanDerWaalsContact CB-CD1 3.44Å; S537-W539 PolarHBondContact O-N 2.96Å; S537-W539 VanDerWaalsContact O-N 3.13Å; S537-W539 PolarHBondContact OG-NE1 3.38Å; W539-N542 PolarHBondContact O-N 3Å; W539-L543 HydrophobicContact CE3-CD1 4.29Å; W539-L543 HydrophobicContact CE3-CG 4.33Å; W539-L543 HydrophobicContact CZ3-CD1 3.83Å; W539-L543 HydrophobicContact CZ3-CG 4.35Å; W539-L543 PolarHBondContact O-N 2.9Å; W539-L543 VanDerWaalsContact O-N 3.11Å
540Y90.2Very high77.7Confident0 Ų072 Ų720%041%0.407CS..Hα-helixtrans-72.9-37.5-178-177.2-105.5000111.8M306 E309 F488 Y489 L524 S537 D538 N542 L543 R544M306-Y540 HydrophobicContact CB-CD2 4.18Å; M306-Y540 HydrophobicContact CB-CE2 3.9Å; M306-Y540 HydrophobicContact CE-CD1 3.54Å; M306-Y540 HydrophobicContact CE-CD2 3.64Å; M306-Y540 HydrophobicContact CE-CE1 3.71Å; M306-Y540 HydrophobicContact CE-CE2 3.81Å; M306-Y540 HydrophobicContact CE-CG 3.48Å; M306-Y540 VanDerWaalsContact CE-CG 3.48Å; M306-Y540 HydrophobicContact CG-CD2 4.2Å; M306-Y540 HydrophobicContact CG-CE2 3.72Å; E309-Y540 HydrophobicContact CB-CE2 4.46Å; E309-Y540 PolarHBondContact OE1-OH 3.46Å; E309-Y540 WeakPolarHBondContact OE2-CE2 3.39Å; E309-Y540 PolarHBondContact OE2-OH 2.84Å; F488-Y540 HydrophobicContact CE2-CD1 4.2Å; F488-Y540 AromaticContact CE2-CE1 3.7Å; F488-Y540 HydrophobicContact CE2-CE1 3.7Å; F488-Y540 HydrophobicContact CZ-CE1 4.41Å; Y489-Y540 WeakPolarHBondContact CB-OH 3.49Å; L524-Y540 HydrophobicContact CD1-CE1 4.27Å; L524-Y540 HydrophobicContact CD2-CD1 3.99Å; L524-Y540 HydrophobicContact CD2-CE1 3.89Å; S537-Y540 WeakPolarHBondContact O-CA 3.39Å; S537-Y540 WeakPolarHBondContact O-CB 3.41Å; S537-Y540 PolarHBondContact O-N 3.32Å; D538-Y540 VanDerWaalsContact C-N 3.28Å; D538-Y540 PolarHBondContact O-N 3.28Å; Y540-N542 VanDerWaalsContact C-N 3.34Å; Y540-L543 HydrophobicContact CD2-CD1 3.81Å; Y540-L543 HydrophobicContact CE2-CD1 4.34Å; Y540-L543 WeakPolarHBondContact O-CB 3.32Å; Y540-L543 PolarHBondContact O-N 3.05Å; Y540-R544 PolarHBondContact O-NH1 3.3Å; Y540-R544 PolarHBondContact OH-NH2 2.84Å
541I90.8Very high78.9Confident22 Ų2267.9 Ų67.911%0.11338%0.378CS..Hα-helixtrans-65.8-42.1170.5-62.6172.9000109.7A521 L524 Q525 M528 S537 D538 L543 R544A521-I541 HydrophobicContact CB-CG2 4.09Å; L524-I541 HydrophobicContact CD2-CG1 4.28Å; Q525-I541 HydrophobicContact CB-CD1 4.08Å; Q525-I541 HydrophobicContact CG-CD1 4.08Å; M528-I541 HydrophobicContact SD-CD1 3.84Å; M528-I541 HydrophobicContact SD-CG1 3.75Å; S537-I541 PolarHBondContact O-N 2.86Å; D538-I541 PolarHBondContact O-N 2.99Å; I541-L543 PolarHBondContact O-N 3.44Å; I541-R544 WeakPolarHBondContact O-CB 3.31Å; I541-R544 PolarHBondContact O-N 2.86Å
542N91.8Very high80.6Confident99 Ų9964.4 Ų64.453%0.52936%0.36SS..Hα-helixtrans-62.1-26.1-179.6-71.8-21.4000113.2D538 W539 Y540 R544 G545 T546D538-N542 VanDerWaalsContact O-CB 3.27Å; D538-N542 WeakPolarHBondContact O-CB 3.36Å; D538-N542 PolarHBondContact O-N 3.4Å; D538-N542 PolarHBondContact O-ND2 3.27Å; W539-N542 PolarHBondContact O-N 3Å; Y540-N542 VanDerWaalsContact C-N 3.34Å; N542-R544 PolarHBondContact O-N 3.06Å; N542-R544 VanDerWaalsContact O-N 3.09Å; N542-G545 WeakPolarHBondContact O-CA 3.15Å; N542-G545 PolarHBondContact O-N 3.41Å; N542-T546 PolarHBondContact O-N 3.45Å; N542-T546 PolarHBondContact O-OG1 2.87Å
543L91.9Very high82.5Confident19 Ų1953.8 Ų53.810%0.09932%0.32CS..THydrogen-bonded Turntrans-51.6-33.4169.9-65.5179.6000112.2L313 W539 Y540 I541 G545 T546 S548L313-L543 HydrophobicContact CD1-CB 4.01Å; W539-L543 HydrophobicContact CE3-CD1 4.29Å; W539-L543 HydrophobicContact CE3-CG 4.33Å; W539-L543 HydrophobicContact CZ3-CD1 3.83Å; W539-L543 HydrophobicContact CZ3-CG 4.35Å; W539-L543 PolarHBondContact O-N 2.9Å; W539-L543 VanDerWaalsContact O-N 3.11Å; Y540-L543 HydrophobicContact CD2-CD1 3.81Å; Y540-L543 HydrophobicContact CE2-CD1 4.34Å; Y540-L543 WeakPolarHBondContact O-CB 3.32Å; Y540-L543 PolarHBondContact O-N 3.05Å; I541-L543 PolarHBondContact O-N 3.44Å; L543-G545 VanDerWaalsContact C-N 3.3Å; L543-G545 PolarHBondContact O-N 3.08Å; L543-T546 PolarHBondContact O-OG1 2.93Å; L543-S548 WeakPolarHBondContact O-CB 3.4Å
544R92.3Very high84.6Confident19 Ų1952.5 Ų52.57%0.07231%0.31CS..THydrogen-bonded Turntrans-74.2-21.9179.9-76.164.8178.2-176.39.2112.6E309 E518 N519 A521 L524 Y540 I541 N542E309-R544 IonicContact OE2-CZ 2.72Å; E309-R544 IonicContact OE2-NH1 3.69Å; E309-R544 IonicContact OE2-NH2 3.45Å; E309-R544 PolarHBondContact OE2-NH2 3.3Å; E518-R544 PolarHBondContact O-NE 3.34Å; E518-R544 PolarHBondContact O-NH2 3.02Å; N519-R544 WeakPolarHBondContact O-CB 3.4Å; N519-R544 VanDerWaalsContact O-CG 3.24Å; N519-R544 WeakPolarHBondContact O-CG 3.3Å; A521-R544 HydrophobicContact CB-CB 3.81Å; L524-R544 HydrophobicContact CD2-CG 4.49Å; Y540-R544 PolarHBondContact O-NH1 3.3Å; Y540-R544 PolarHBondContact OH-NH2 2.84Å; I541-R544 WeakPolarHBondContact O-CB 3.31Å; I541-R544 PolarHBondContact O-N 2.86Å; N542-R544 PolarHBondContact O-N 3.06Å; N542-R544 VanDerWaalsContact O-N 3.09Å
545G86.6Confident87Confident66 Ų6647.7 Ų47.768%0.6828%0.283SS*.THydrogen-bonded Turntrans-91.1-17.5176.600000114.6N542 L543N542-G545 WeakPolarHBondContact O-CA 3.15Å; N542-G545 PolarHBondContact O-N 3.41Å; L543-G545 VanDerWaalsContact C-N 3.3Å; L543-G545 PolarHBondContact O-N 3.08Å
546T85Confident89.2Confident109 Ų10942 Ų4267%0.66925%0.253SS*.SBendtrans-102.241.8-173.657.20000113.4N542 L543N542-T546 PolarHBondContact O-N 3.45Å; N542-T546 PolarHBondContact O-OG1 2.87Å; L543-T546 PolarHBondContact O-OG1 2.93Å
547G80.1Confident91.2Very high57 Ų5735.5 Ų35.559%0.58823%0.226SC*.SBendtrans90.134.5178.900000114.7
548S88Confident92.5Very high28 Ų2835.1 Ų35.120%0.19622%0.224CC..  trans-63.1147.5172.1179.70000112.1L543L543-S548 WeakPolarHBondContact O-CB 3.4Å
549V93.8Very high93.1Very high37 Ų3731.1 Ų31.122%0.22420%0.202CC..  trans-131.8159177.8-67.70000108L313 I347 H551L313-V549 HydrophobicContact CD2-CG2 4Å; I347-V549 HydrophobicContact CB-CG2 3.8Å; I347-V549 HydrophobicContact CG2-CG2 3.69Å; V549-H551 PolarHBondContact O-CD2 2.78Å; V549-H551 PolarHBondContact O-N 2.99Å
550P95.5Very high93.6Very high45 Ų4528.3 Ų28.329%0.29219%0.191SC..  trans-54128.6172.3-22.632.9000110.8I347 Y348 L349 D350I347-P550 CarbonylContact C-O 3.55Å; Y348-P550 WeakPolarHBondContact CA-O 3.32Å; Y348-P550 PolarHBondContact N-O 2.78Å; L349-P550 PolarHBondContact N-O 3.16Å; L349-P550 CarbonylContact O-C 3.39Å; D350-P550 HydrophobicContact CB-CB 3.79Å; D350-P550 HydrophobicContact CB-CG 4.3Å
551H97.3Very high93.9Very high1 Ų128.3 Ų28.31%0.00519%0.192CC..EExtended strand (participates in β ladder)trans-149.9156.1-175.769.2107.4000110.9E309 E345 S346 I347 L349 V516 R517 V549E309-H551 IonicContact OE2-CE1 2.69Å; E309-H551 PolarHBondContact OE2-CE1 3.23Å; E345-H551 IonicContact OE1-CE1 3.55Å; E345-H551 IonicContact OE1-CG 2.75Å; E345-H551 IonicContact OE1-ND1 3.61Å; E345-H551 PolarHBondContact OE1-ND1 3.34Å; S346-H551 WeakPolarHBondContact O-CA 3.34Å; S346-H551 WeakPolarHBondContact O-CB 3.46Å; I347-H551 HydrophobicContact CG2-CB 4.38Å; L349-H551 CarbonylContact O-C 3.39Å; L349-H551 PolarHBondContact O-N 2.86Å; V516-H551 VanDerWaalsContact CG1-O 3.31Å; V516-H551 WeakPolarHBondContact CG1-O 3.43Å; R517-H551 WeakPolarHBondContact CB-CE1 3.39Å; R517-H551 WeakPolarHBondContact CG-CE1 3.49Å; R517-H551 VanDerWaalsContact CG-ND1 3.31Å; R517-H551 WeakPolarHBondContact CG-ND1 3.48Å; R517-H551 PolarHBondContact N-O 2.87Å; V549-H551 PolarHBondContact O-CD2 2.78Å; V549-H551 PolarHBondContact O-N 2.99Å
552G98.1Very high94.2Very high0 Ų027.3 Ų27.30%019%0.186CC..EExtended strand (participates in β ladder)trans-154.8163.9-179.700000111.5E345 S346 S515E345-G552 WeakPolarHBondContact OE1-CA 3.28Å; E345-G552 PolarHBondContact OE1-N 3.15Å; S346-G552 PolarHBondContact N-O 3.14Å; S346-G552 PolarHBondContact O-N 3.37Å; S515-G552 WeakPolarHBondContact O-CA 3.3Å
553G98.3Very high94.4Very high1 Ų123.4 Ų23.41%0.0117%0.165CC..EExtended strand (participates in β ladder)trans-159.6176.6-178.100000113.3A344 E345 A514 S515 R517A344-G553 CarbonylContact O-C 3.49Å; A344-G553 WeakPolarHBondContact O-CA 3.33Å; E345-G553 WeakPolarHBondContact OE2-CA 3.31Å; A514-G553 WeakPolarHBondContact CA-O 3.37Å; S515-G553 PolarHBondContact N-O 3.04Å; S515-G553 PolarHBondContact O-N 3.2Å; S515-G553 VanDerWaalsContact O-N 3.1Å; R517-G553 VanDerWaalsContact NH2-C 3.33Å; R517-G553 VanDerWaalsContact NH2-CA 3.32Å; R517-G553 PolarHBondContact NH2-O 3.05Å
554F98.6Very high94.5Very high9 Ų924.1 Ų24.14%0.03917%0.167CC..EExtended strand (participates in β ladder)trans-146153.4-176.371.9-91.7000111.7L342 E343 A344 I359 L362 V512 G513 A514 L556L342-F554 HydrophobicContact CD2-CE2 4.44Å; L342-F554 HydrophobicContact CG-CE2 4.45Å; E343-F554 VanDerWaalsContact CA-O 3.3Å; E343-F554 WeakPolarHBondContact CA-O 3.22Å; A344-F554 HydrophobicContact CB-CD1 4.18Å; A344-F554 HydrophobicContact CB-CE1 3.61Å; A344-F554 HydrophobicContact CB-CZ 3.81Å; A344-F554 PolarHBondContact N-O 3.19Å; A344-F554 PolarHBondContact O-N 3.46Å; I359-F554 HydrophobicContact CD1-CB 3.8Å; I359-F554 HydrophobicContact CD1-CD1 4.24Å; I359-F554 HydrophobicContact CD1-CG 4.18Å; I359-F554 HydrophobicContact CG1-CB 4.08Å; I359-F554 HydrophobicContact CG1-CD1 3.58Å; I359-F554 HydrophobicContact CG1-CE1 4.16Å; I359-F554 HydrophobicContact CG1-CG 3.88Å; L362-F554 HydrophobicContact CD1-CE1 3.67Å; L362-F554 HydrophobicContact CD1-CZ 3.89Å; V512-F554 HydrophobicContact CG1-CB 3.6Å; V512-F554 HydrophobicContact CG1-CD2 3.79Å; V512-F554 HydrophobicContact CG1-CG 4.04Å; G513-F554 CarbonylContact O-C 3.59Å; G513-F554 VanDerWaalsContact O-CA 3.28Å; G513-F554 WeakPolarHBondContact O-CA 3.31Å; A514-F554 HydrophobicContact CB-CB 3.82Å; F554-L556 HydrophobicContact CD2-CB 4.16Å; F554-L556 HydrophobicContact CE2-CB 4.07Å
555G98.3Very high94.7Very high16 Ų1623.2 Ų23.217%0.16516%0.164CC..EExtended strand (participates in β ladder)trans-116.3125.7167.400000110V512 G513V512-G555 VanDerWaalsContact CA-O 3.27Å; V512-G555 WeakPolarHBondContact CA-O 3.46Å; V512-G555 WeakPolarHBondContact CG1-O 3.49Å; G513-G555 PolarHBondContact N-O 3.49Å; G513-G555 VanDerWaalsContact N-O 3.11Å; G513-G555 PolarHBondContact O-N 2.93Å
556L98.5Very high95Very high1 Ų120 Ų201%0.00513%0.131CC..EExtended strand (participates in β ladder)trans-113.9121.2178.2177.6158.1000109.5M341 L342 I363 L511 V512 F554 F558 L561M341-L556 WeakPolarHBondContact CA-O 3.25Å; L342-L556 HydrophobicContact CB-CB 4.21Å; L342-L556 HydrophobicContact CB-CD2 4.28Å; L342-L556 PolarHBondContact N-O 3.46Å; L342-L556 PolarHBondContact O-N 3.45Å; I363-L556 HydrophobicContact CD1-CD1 4.08Å; I363-L556 HydrophobicContact CG1-CD1 4.05Å; L511-L556 HydrophobicContact CD1-CG 4.32Å; L511-L556 HydrophobicContact CD2-CD1 4.33Å; L511-L556 HydrophobicContact CG-CD1 4.38Å; L511-L556 HydrophobicContact CG-CG 4.13Å; V512-L556 HydrophobicContact CG2-CB 3.85Å; V512-L556 HydrophobicContact CG2-CD1 3.85Å; V512-L556 HydrophobicContact CG2-CG 3.9Å; F554-L556 HydrophobicContact CD2-CB 4.16Å; F554-L556 HydrophobicContact CE2-CB 4.07Å; L556-F558 PolarHBondContact O-N 3.3Å; L556-F558 VanDerWaalsContact O-N 3.13Å; L556-L561 HydrophobicContact CD2-CB 3.89Å; L556-L561 HydrophobicContact CD2-CD2 4.12Å
557G97.6Very high95.3Very high13 Ų1315.9 Ų15.913%0.13411%0.11CC..EExtended strand (participates in β ladder)trans-68.8107.7176.900000111.1L511 E559 R560 L561L511-G557 PolarHBondContact O-N 3.48Å; G557-E559 VanDerWaalsContact C-N 3.33Å; G557-E559 PolarHBondContact O-N 2.97Å; G557-R560 WeakPolarHBondContact O-CB 3.42Å; G557-R560 PolarHBondContact O-N 3.37Å; G557-R560 VanDerWaalsContact O-N 3.07Å; G557-L561 PolarHBondContact O-N 2.8Å
558F98.5Very high95.9Very high0 Ų013.4 Ų13.40%08%0.084CC..Hα-helixtrans-64.1-39.1-172.8-179.6-107000112R244 I247 K248 V251 L321 Y340 L556 R560 L561 M562R244-F558 HydrophobicContact CG-CE1 3.89Å; I247-F558 HydrophobicContact CB-CE2 4.4Å; I247-F558 HydrophobicContact CB-CZ 4.2Å; I247-F558 HydrophobicContact CG2-CE2 3.8Å; I247-F558 HydrophobicContact CG2-CZ 4.08Å; K248-F558 HydrophobicContact CB-CZ 4.21Å; K248-F558 HydrophobicContact CD-CE1 4.14Å; K248-F558 HydrophobicContact CD-CZ 4.31Å; K248-F558 VanDerWaalsContact CE-CE1 3.48Å; K248-F558 HydrophobicContact CG-CD1 4.39Å; K248-F558 HydrophobicContact CG-CE1 3.51Å; K248-F558 HydrophobicContact CG-CE2 3.86Å; K248-F558 HydrophobicContact CG-CZ 3.22Å; V251-F558 HydrophobicContact CG2-CE2 4.19Å; L321-F558 HydrophobicContact CD1-CB 4.2Å; L321-F558 HydrophobicContact CD1-CD2 4.35Å; L321-F558 HydrophobicContact CD1-CG 4.28Å; Y340-F558 WeakPolarHBondContact O-CB 3.23Å; Y340-F558 PolarHBondContact O-N 3.37Å; L556-F558 PolarHBondContact O-N 3.3Å; L556-F558 VanDerWaalsContact O-N 3.13Å; F558-R560 VanDerWaalsContact C-N 3.32Å; F558-R560 PolarHBondContact O-N 3.07Å; F558-L561 HydrophobicContact CD2-CD2 4.37Å; F558-L561 WeakPolarHBondContact O-CB 3.4Å; F558-L561 PolarHBondContact O-N 3.29Å; F558-M562 HydrophobicContact CD1-CG 4.49Å; F558-M562 HydrophobicContact CD1-SD 4.34Å; F558-M562 HydrophobicContact CE1-CE 4.19Å; F558-M562 HydrophobicContact CE1-CG 4.05Å; F558-M562 HydrophobicContact CE1-SD 3.54Å; F558-M562 VanDerWaalsContact CE1-SD 3.54Å; F558-M562 HydrophobicContact CZ-CG 4.04Å; F558-M562 HydrophobicContact CZ-SD 3.76Å; F558-M562 WeakPolarHBondContact O-CG 3.4Å; F558-M562 PolarHBondContact O-N 3.49Å
559E97.7Very high96Very high2 Ų213.8 Ų13.81%0.0099%0.088CC..Hα-helixtrans-61.4-39.7173.5-75.870.2-153.400112R244 L336 F339 Y340 G557 M562 Q563 I571 T574R244-E559 IonicContact CZ-OE1 2.83Å; R244-E559 IonicContact NH1-OE1 2.78Å; R244-E559 PolarHBondContact NH1-OE1 3.37Å; R244-E559 IonicContact NH2-OE1 3.36Å; R244-E559 PolarHBondContact NH2-OE1 2.88Å; L336-E559 HydrophobicContact CD1-CB 4.24Å; L336-E559 HydrophobicContact CD1-CG 3.81Å; F339-E559 WeakPolarHBondContact CB-OE2 3.47Å; Y340-E559 PolarHBondContact N-OE1 3.02Å; Y340-E559 PolarHBondContact N-OE2 2.8Å; Y340-E559 VanDerWaalsContact O-OE2 3.11Å; G557-E559 VanDerWaalsContact C-N 3.33Å; G557-E559 PolarHBondContact O-N 2.97Å; E559-M562 PolarHBondContact O-N 3.47Å; E559-Q563 WeakPolarHBondContact O-CG 3.24Å; E559-Q563 PolarHBondContact O-N 3.22Å; E559-I571 HydrophobicContact CB-CD1 4.05Å; E559-I571 HydrophobicContact CB-CG1 3.81Å; E559-T574 VanDerWaalsContact CB-OG1 3.3Å; E559-T574 WeakPolarHBondContact CB-OG1 3.28Å; E559-T574 WeakPolarHBondContact CG-OG1 3.49Å
560R96.4Very high96Very high50 Ų5013 Ų1319%0.1898%0.082CC..Hα-helixtrans-66.2-38.7175.2-68.3-169.4-179.4169.53.1111.6I508 E510 L511 G557 F558 M562 Q563 F564 I571I508-R560 HydrophobicContact CD1-CB 4.31Å; E510-R560 WeakPolarHBondContact O-CD 3.33Å; E510-R560 PolarHBondContact O-NH1 3.2Å; E510-R560 IonicContact OE2-NH1 3.23Å; E510-R560 PolarHBondContact OE2-NH1 3.44Å; L511-R560 HydrophobicContact CD1-CB 3.65Å; G557-R560 WeakPolarHBondContact O-CB 3.42Å; G557-R560 PolarHBondContact O-N 3.37Å; G557-R560 VanDerWaalsContact O-N 3.07Å; F558-R560 VanDerWaalsContact C-N 3.32Å; F558-R560 PolarHBondContact O-N 3.07Å; R560-M562 VanDerWaalsContact C-N 3.29Å; R560-M562 PolarHBondContact O-N 2.91Å; R560-Q563 WeakPolarHBondContact O-CB 3.27Å; R560-Q563 PolarHBondContact O-N 3.31Å; R560-F564 PolarHBondContact O-N 2.82Å; R560-F564 VanDerWaalsContact O-N 3.08Å; R560-I571 HydrophobicContact CG-CD1 4.03Å
561L97.6Very high95.9Very high1 Ų111.1 Ų11.11%0.0057%0.07CC..Hα-helixtrans-59.5-42171.317566.2000111.1I247 V251 I366 L367 L511 L556 G557 F558 F564 V565I247-L561 HydrophobicContact CG2-CD2 4.31Å; V251-L561 HydrophobicContact CG2-CD2 4.36Å; I366-L561 HydrophobicContact CG2-CD2 4.12Å; L367-L561 HydrophobicContact CD2-CD1 3.94Å; L511-L561 HydrophobicContact CD1-CB 4.14Å; L556-L561 HydrophobicContact CD2-CB 3.89Å; L556-L561 HydrophobicContact CD2-CD2 4.12Å; G557-L561 PolarHBondContact O-N 2.8Å; F558-L561 HydrophobicContact CD2-CD2 4.37Å; F558-L561 WeakPolarHBondContact O-CB 3.4Å; F558-L561 PolarHBondContact O-N 3.29Å; L561-F564 PolarHBondContact O-N 3.32Å; L561-V565 HydrophobicContact CD1-CG2 3.9Å; L561-V565 HydrophobicContact CG-CG2 4.28Å; L561-V565 WeakPolarHBondContact O-CB 3.34Å; L561-V565 WeakPolarHBondContact O-CG2 3.4Å; L561-V565 PolarHBondContact O-N 3.48Å
562M97.3Very high95.7Very high0 Ų013.3 Ų13.30%08%0.078CC..Hα-helixtrans-68.4-36.2176.7-64.9-157.6-46.100113R244 I247 F558 E559 R560 F564 V565 L566 T574R244-M562 VanDerWaalsContact CA-SD 3.54Å; R244-M562 HydrophobicContact CB-CE 4.04Å; R244-M562 HydrophobicContact CB-SD 3.71Å; R244-M562 HydrophobicContact CG-CE 3.79Å; R244-M562 HydrophobicContact CG-SD 3.68Å; I247-M562 HydrophobicContact CD1-CG 4.18Å; I247-M562 HydrophobicContact CD1-SD 4.48Å; F558-M562 HydrophobicContact CD1-CG 4.49Å; F558-M562 HydrophobicContact CD1-SD 4.34Å; F558-M562 HydrophobicContact CE1-CE 4.19Å; F558-M562 HydrophobicContact CE1-CG 4.05Å; F558-M562 HydrophobicContact CE1-SD 3.54Å; F558-M562 VanDerWaalsContact CE1-SD 3.54Å; F558-M562 HydrophobicContact CZ-CG 4.04Å; F558-M562 HydrophobicContact CZ-SD 3.76Å; F558-M562 WeakPolarHBondContact O-CG 3.4Å; F558-M562 PolarHBondContact O-N 3.49Å; E559-M562 PolarHBondContact O-N 3.47Å; R560-M562 VanDerWaalsContact C-N 3.29Å; R560-M562 PolarHBondContact O-N 2.91Å; M562-F564 VanDerWaalsContact C-N 3.27Å; M562-F564 PolarHBondContact O-N 2.78Å; M562-V565 PolarHBondContact O-N 3.11Å; M562-L566 HydrophobicContact CB-CD1 4.25Å; M562-L566 VanDerWaalsContact O-CB 3.24Å; M562-L566 WeakPolarHBondContact O-CB 3.38Å; M562-L566 WeakPolarHBondContact O-CG 3.38Å; M562-L566 PolarHBondContact O-N 3.41Å; M562-T574 HydrophobicContact CB-CG2 4.38Å; M562-T574 WeakPolarHBondContact CE-O 3.42Å
563Q95Very high95.5Very high17 Ų1713.3 Ų13.38%0.0798%0.079CC..Hα-helixtrans-56.5-45.5171.3-69.3-166.5-92.500111.1I508 E559 R560 G567 I568 A569 T574I508-Q563 HydrophobicContact CG2-CB 4.17Å; E559-Q563 WeakPolarHBondContact O-CG 3.24Å; E559-Q563 PolarHBondContact O-N 3.22Å; R560-Q563 WeakPolarHBondContact O-CB 3.27Å; R560-Q563 PolarHBondContact O-N 3.31Å; Q563-G567 CarbonylContact O-C 3.46Å; Q563-G567 VanDerWaalsContact O-CA 3.22Å; Q563-G567 WeakPolarHBondContact O-CA 3.34Å; Q563-G567 PolarHBondContact O-N 2.85Å; Q563-I568 WeakPolarHBondContact CB-O 3.39Å; Q563-I568 WeakPolarHBondContact CG-O 3.49Å; Q563-I568 PolarHBondContact NE2-O 3.44Å; Q563-I568 PolarHBondContact O-N 2.93Å; Q563-I568 VanDerWaalsContact O-N 3.12Å; Q563-A569 PolarHBondContact NE2-O 3.35Å; Q563-T574 HydrophobicContact CG-CG2 3.57Å
564F94.5Very high95.4Very high34 Ų3413.3 Ų13.315%0.1498%0.078CC..Hα-helixtrans-65.6-53.4178.1179-104.6000112.3L367 L421 M424 F505 I508 R560 L561 M562 L566L367-F564 HydrophobicContact CD1-CE1 4.17Å; L367-F564 HydrophobicContact CD2-CD1 4.12Å; L367-F564 HydrophobicContact CD2-CE1 4.02Å; L421-F564 HydrophobicContact CD1-CE1 4.09Å; L421-F564 HydrophobicContact CD1-CZ 4.42Å; M424-F564 HydrophobicContact CE-CE1 4.29Å; M424-F564 HydrophobicContact CE-CZ 4.23Å; M424-F564 HydrophobicContact SD-CZ 3.98Å; F505-F564 HydrophobicContact CB-CD2 4.45Å; F505-F564 AromaticContact CD1-CD1 3.87Å; F505-F564 HydrophobicContact CD1-CD1 3.87Å; F505-F564 AromaticContact CD1-CD2 3.82Å; F505-F564 HydrophobicContact CD1-CD2 3.82Å; F505-F564 AromaticContact CD1-CE1 3.76Å; F505-F564 HydrophobicContact CD1-CE1 3.76Å; F505-F564 AromaticContact CD1-CE2 3.72Å; F505-F564 HydrophobicContact CD1-CE2 3.72Å; F505-F564 AromaticContact CD1-CG 3.9Å; F505-F564 HydrophobicContact CD1-CG 3.9Å; F505-F564 AromaticContact CD1-CZ 3.69Å; F505-F564 HydrophobicContact CD1-CZ 3.69Å; F505-F564 HydrophobicContact CE1-CD1 4.06Å; F505-F564 AromaticContact CE1-CE1 3.73Å; F505-F564 HydrophobicContact CE1-CE1 3.73Å; F505-F564 HydrophobicContact CE1-CE2 4.43Å; F505-F564 AromaticContact CE1-CZ 3.94Å; F505-F564 HydrophobicContact CE1-CZ 3.94Å; I508-F564 HydrophobicContact CG2-CB 4.04Å; R560-F564 PolarHBondContact O-N 2.82Å; R560-F564 VanDerWaalsContact O-N 3.08Å; L561-F564 PolarHBondContact O-N 3.32Å; M562-F564 VanDerWaalsContact C-N 3.27Å; M562-F564 PolarHBondContact O-N 2.78Å; F564-L566 VanDerWaalsContact C-N 3.32Å; F564-L566 PolarHBondContact O-N 3.17Å
565V95.3Very high95.2Very high0 Ų013.5 Ų13.50%08%0.08CC..Hα-helixtrans-67.6-29.6-175.5173.70000112.9I247 L367 C370 V373 Y374 L561 M562I247-V565 HydrophobicContact CD1-CB 4.35Å; I247-V565 HydrophobicContact CD1-CG1 3.9Å; L367-V565 HydrophobicContact CD2-CG2 3.66Å; C370-V565 HydrophobicContact CB-CG1 3.96Å; V373-V565 HydrophobicContact CG2-CG1 4.43Å; Y374-V565 PolarHBondContact OH-O 3.22Å; L561-V565 HydrophobicContact CD1-CG2 3.9Å; L561-V565 HydrophobicContact CG-CG2 4.28Å; L561-V565 WeakPolarHBondContact O-CB 3.34Å; L561-V565 WeakPolarHBondContact O-CG2 3.4Å; L561-V565 PolarHBondContact O-N 3.48Å; M562-V565 PolarHBondContact O-N 3.11Å
566L94.5Very high95Very high0 Ų013.8 Ų13.80%08%0.08CC..Hα-helixtrans-109.2-4.5-174.5-54.6173.4000113M243 I247 L389 I392 M562 F564 I568M243-L566 HydrophobicContact CB-CD1 3.89Å; M243-L566 HydrophobicContact CB-CD2 4.23Å; M243-L566 HydrophobicContact CG-CD2 4.12Å; M243-L566 HydrophobicContact SD-CD2 4.15Å; I247-L566 HydrophobicContact CD1-CD1 4.12Å; I247-L566 HydrophobicContact CD1-CD2 4.15Å; I247-L566 HydrophobicContact CD1-CG 4.14Å; L389-L566 HydrophobicContact CD1-CD2 3.9Å; I392-L566 HydrophobicContact CD1-CD1 4.21Å; I392-L566 HydrophobicContact CD1-CD2 4.47Å; I392-L566 HydrophobicContact CG2-CB 4.12Å; M562-L566 HydrophobicContact CB-CD1 4.25Å; M562-L566 VanDerWaalsContact O-CB 3.24Å; M562-L566 WeakPolarHBondContact O-CB 3.38Å; M562-L566 WeakPolarHBondContact O-CG 3.38Å; M562-L566 PolarHBondContact O-N 3.41Å; F564-L566 VanDerWaalsContact C-N 3.32Å; F564-L566 PolarHBondContact O-N 3.17Å; L566-I568 VanDerWaalsContact C-N 3.31Å; L566-I568 HydrophobicContact CB-CD1 3.95Å; L566-I568 HydrophobicContact CB-CG1 3.98Å; L566-I568 HydrophobicContact CD1-CD1 4Å; L566-I568 PolarHBondContact O-N 3.44Å
567G90.9Very high94.6Very high22 Ų2217.6 Ų17.623%0.22710%0.097CC..THydrogen-bonded Turntrans6628.9-176.700000113.9G397 Q563G397-G567 WeakPolarHBondContact CA-O 3.48Å; Q563-G567 CarbonylContact O-C 3.46Å; Q563-G567 VanDerWaalsContact O-CA 3.22Å; Q563-G567 WeakPolarHBondContact O-CA 3.34Å; Q563-G567 PolarHBondContact O-N 2.85Å
568I93Very high94.3Very high5 Ų517.8 Ų17.83%0.02610%0.096CC..BIsolated β-bridgetrans-79.5121.5-178.3-65.4168.8000110.3M240 I392 L396 Q563 L566 N570 D573 T574M240-I568 HydrophobicContact CG-CD1 4.07Å; I392-I568 HydrophobicContact CG2-CD1 3.7Å; I392-I568 HydrophobicContact CG2-CG1 3.48Å; I392-I568 VanDerWaalsContact CG2-CG1 3.48Å; L396-I568 HydrophobicContact CB-CG1 4.24Å; L396-I568 HydrophobicContact CB-CG2 4.4Å; Q563-I568 WeakPolarHBondContact CB-O 3.39Å; Q563-I568 WeakPolarHBondContact CG-O 3.49Å; Q563-I568 PolarHBondContact NE2-O 3.44Å; Q563-I568 PolarHBondContact O-N 2.93Å; Q563-I568 VanDerWaalsContact O-N 3.12Å; L566-I568 VanDerWaalsContact C-N 3.31Å; L566-I568 HydrophobicContact CB-CD1 3.95Å; L566-I568 HydrophobicContact CB-CG1 3.98Å; L566-I568 HydrophobicContact CD1-CD1 4Å; L566-I568 PolarHBondContact O-N 3.44Å; I568-N570 WeakPolarHBondContact CG2-O 3.4Å; I568-D573 HydrophobicContact CG2-CB 3.89Å; I568-T574 HydrophobicContact CB-CG2 3.97Å; I568-T574 HydrophobicContact CD1-CG2 3.87Å; I568-T574 HydrophobicContact CG2-CG2 3.72Å
569A89.7Confident93.8Very high35 Ų3520.7 Ų20.729%0.28911%0.107SC..SBendtrans-74.1-29.4-171.700000114.4L396 Q563L396-A569 PolarHBondContact O-N 2.88Å; L396-A569 VanDerWaalsContact O-N 3.16Å; Q563-A569 PolarHBondContact NE2-O 3.35Å
570N92.7Very high93.1Very high20 Ų2021.4 Ų21.411%0.10711%0.11CC..SBendtrans-121.3125.2-177.2-171.8-29.4000110.3R223 R333 I568 R572 D573R223-N570 PolarHBondContact NH2-ND2 2.88Å; R333-N570 HydrophobicContact CB-CB 4.45Å; I568-N570 WeakPolarHBondContact CG2-O 3.4Å; N570-R572 PolarHBondContact O-N 3Å; N570-R572 WeakPolarHBondContact OD1-CB 3.49Å; N570-R572 WeakPolarHBondContact OD1-CG 3.32Å; N570-R572 PolarHBondContact OD1-N 3.16Å; N570-D573 PolarHBondContact O-N 3.25Å
571I93.8Very high92.2Very high7 Ų720.7 Ų20.74%0.03611%0.112CC..G310 helixtrans-60.2-22.6-177.2-158.1171.9000112.9R333 L336 E559 R560 D573 T574R333-I571 VanDerWaalsContact O-CG2 3.28Å; R333-I571 WeakPolarHBondContact O-CG2 3.08Å; R333-I571 PolarHBondContact O-N 3.11Å; R333-I571 VanDerWaalsContact O-N 3.17Å; L336-I571 HydrophobicContact CD1-CD1 4.16Å; L336-I571 HydrophobicContact CD1-CG1 3.9Å; L336-I571 HydrophobicContact CD1-CG2 4.44Å; L336-I571 HydrophobicContact CD2-CG2 4.25Å; L336-I571 HydrophobicContact CG-CD1 4.32Å; L336-I571 HydrophobicContact CG-CG1 4.23Å; L336-I571 HydrophobicContact CG-CG2 3.9Å; E559-I571 HydrophobicContact CB-CD1 4.05Å; E559-I571 HydrophobicContact CB-CG1 3.81Å; R560-I571 HydrophobicContact CG-CD1 4.03Å; I571-D573 PolarHBondContact O-N 3.48Å; I571-T574 PolarHBondContact O-N 3.01Å; I571-T574 PolarHBondContact O-OG1 3.11Å
572R93.5Very high91.1Very high46 Ų4626.7 Ų26.717%0.17414%0.144CC..G310 helixtrans-69.9-17.9177.8-62.7-177.6-168.8158.98.7113.4R231 N331 T332 L336 N570 P578R231-R572 PolarHBondContact NH2-O 3.39Å; N331-R572 PolarHBondContact O-NH2 3.38Å; N331-R572 PolarHBondContact OD1-NH2 2.74Å; T332-R572 PolarHBondContact O-NH2 3.2Å; L336-R572 HydrophobicContact CD2-CG 4.07Å; N570-R572 PolarHBondContact O-N 3Å; N570-R572 WeakPolarHBondContact OD1-CB 3.49Å; N570-R572 WeakPolarHBondContact OD1-CG 3.32Å; N570-R572 PolarHBondContact OD1-N 3.16Å; R572-P578 HydrophobicContact CB-CB 3.71Å; R572-P578 HydrophobicContact CB-CG 3.92Å; R572-P578 HydrophobicContact CG-CB 3.89Å; R572-P578 HydrophobicContact CG-CG 4.47Å; R572-P578 WeakPolarHBondContact O-CG 3.48Å
573D94.5Very high89.6Confident1 Ų132.6 Ų32.61%0.00517%0.169CC..G310 helixtrans-92.4-1.3179.2-55.9-31.5000111.8R223 R231 F237 M240 L396 I568 N570 I571R223-D573 IonicContact CZ-OD1 2.74Å; R223-D573 IonicContact CZ-OD2 2.75Å; R223-D573 IonicContact NE-OD1 3.41Å; R223-D573 PolarHBondContact NE-OD1 3.28Å; R223-D573 IonicContact NE-OD2 2.85Å; R223-D573 PolarHBondContact NE-OD2 2.99Å; R223-D573 IonicContact NH2-OD1 3.37Å; R223-D573 IonicContact NH2-OD2 2.75Å; R223-D573 PolarHBondContact NH2-OD2 3.41Å; R231-D573 IonicContact NH1-OD1 2.98Å; F237-D573 HydrophobicContact CE1-CB 4.09Å; M240-D573 WeakPolarHBondContact CE-O 3.41Å; M240-D573 VanDerWaalsContact CG-O 3.32Å; M240-D573 WeakPolarHBondContact CG-O 3.35Å; L396-D573 HydrophobicContact CD1-CB 4.38Å; L396-D573 HydrophobicContact CD2-CB 4.27Å; I568-D573 HydrophobicContact CG2-CB 3.89Å; N570-D573 PolarHBondContact O-N 3.25Å; I571-D573 PolarHBondContact O-N 3.48Å
574T96Very high88.2Confident0 Ų036.5 Ų36.50%019%0.19CC..G310 helixtrans-93.95.4175.267.50000113.6M240 R244 E559 M562 Q563 I568 I571M240-T574 VanDerWaalsContact SD-C 3.53Å; R244-T574 PolarHBondContact NH1-O 2.96Å; E559-T574 VanDerWaalsContact CB-OG1 3.3Å; E559-T574 WeakPolarHBondContact CB-OG1 3.28Å; E559-T574 WeakPolarHBondContact CG-OG1 3.49Å; M562-T574 HydrophobicContact CB-CG2 4.38Å; M562-T574 WeakPolarHBondContact CE-O 3.42Å; Q563-T574 HydrophobicContact CG-CG2 3.57Å; I568-T574 HydrophobicContact CB-CG2 3.97Å; I568-T574 HydrophobicContact CD1-CG2 3.87Å; I568-T574 HydrophobicContact CG2-CG2 3.72Å; I571-T574 PolarHBondContact O-N 3.01Å; I571-T574 PolarHBondContact O-OG1 3.11Å
575I94.8Very high86.1Confident14 Ų1438 Ų387%0.07220%0.199CC..SBendtrans-141.6153.8179.5-171.6164.8000109.3R231 L336 P578R231-I575 PolarHBondContact NH2-O 2.96Å; L336-I575 HydrophobicContact CD1-CG2 4.26Å; L336-I575 HydrophobicContact CD2-CG2 4.47Å; I575-P578 HydrophobicContact CG2-CB 3.82Å
576A92.5Very high84.4Confident21 Ų2147 Ų4717%0.17424%0.239CC..SBendtrans-63.9-43.8179.500000112.4R231 L241R231-A576 PolarHBondContact NE-O 3.07Å; R231-A576 PolarHBondContact NH2-O 3.49Å; L241-A576 HydrophobicContact CD1-CB 4.28Å; L241-A576 HydrophobicContact CD2-CB 3.81Å
577F91.6Very high83.9Confident82 Ų8249.4 Ų49.436%0.3625%0.25SS..SBendtrans-131.680.2-171.3-51.8-69.4000110L228 R579L228-F577 HydrophobicContact CB-CD1 4.3Å; L228-F577 WeakPolarHBondContact O-CE1 3.24Å; F577-R579 PolarHBondContact O-N 3.25Å
578P91.4Very high83.6Confident17 Ų1750.8 Ų50.811%0.1125%0.252CS..  trans-66.2130.8-179.827.3-36.2000110.3L228 L336 R572 I575L228-P578 HydrophobicContact CD2-CG 4.17Å; L336-P578 HydrophobicContact CD2-CB 3.76Å; R572-P578 HydrophobicContact CB-CB 3.71Å; R572-P578 HydrophobicContact CB-CG 3.92Å; R572-P578 HydrophobicContact CG-CB 3.89Å; R572-P578 HydrophobicContact CG-CG 4.47Å; R572-P578 WeakPolarHBondContact O-CG 3.48Å; I575-P578 HydrophobicContact CG2-CB 3.82Å
579R87.2Confident83.1Confident61 Ų6153.4 Ų53.423%0.2326%0.264CS..  trans-110.8145177.4-56.7-167-170.7-90.70.9111.3A337 E338 F577 F586A337-R579 PolarHBondContact N-O 2.94Å; E338-R579 HydrophobicContact CB-CB 4.35Å; E338-R579 HydrophobicContact CB-CG 4.5Å; E338-R579 WeakPolarHBondContact OE2-CD 3.36Å; E338-R579 IonicContact OE2-CZ 2.91Å; E338-R579 IonicContact OE2-NE 3.64Å; E338-R579 PolarHBondContact OE2-NE 3.13Å; F577-R579 PolarHBondContact O-N 3.25Å; R579-F586 PolarHBondContact NH1-O 3.43Å; R579-F586 PolarHBondContact NH2-O 3.37Å; R579-F586 VanDerWaalsContact NH2-O 3.14Å
580N82.2Confident82.7Confident16 Ų1654.5 Ų54.59%0.08626%0.263CS..BIsolated β-bridgetrans-126.8167.1161.870.537.7000108.7N331 N582 K583N331-N580 PolarHBondContact OD1-ND2 3.19Å; N580-N582 PolarHBondContact O-N 3.48Å; N580-N582 VanDerWaalsContact O-N 3.11Å; N580-N582 PolarHBondContact OD1-N 2.94Å; N580-K583 CarbonylContact O-C 3.57Å; N580-K583 PolarHBondContact O-N 2.89Å; N580-K583 VanDerWaalsContact O-N 3.16Å; N580-K583 WeakPolarHBondContact OD1-CA 3.48Å; N580-K583 VanDerWaalsContact OD1-CB 3.26Å; N580-K583 WeakPolarHBondContact OD1-CB 3.48Å; N580-K583 PolarHBondContact OD1-N 3.2Å
581T77.8Confident82Confident36 Ų3656.6 Ų56.622%0.22127%0.272CS..THydrogen-bonded Turntrans-54.9-30.9-176.5460000114.2F280 A327 E328F280-T581 HydrophobicContact CE1-CG2 4.39Å; F280-T581 HydrophobicContact CZ-CG2 3.87Å; A327-T581 HydrophobicContact CB-CG2 4.42Å; E328-T581 VanDerWaalsContact O-CG2 3.24Å; E328-T581 WeakPolarHBondContact O-CG2 3.45Å
582N74.1Confident81.3Confident126 Ų12659.9 Ų59.967%0.67429%0.288SS*.THydrogen-bonded Turntrans-99.7-9.7-176.5-63.1-25.7000114N580N580-N582 PolarHBondContact O-N 3.48Å; N580-N582 VanDerWaalsContact O-N 3.11Å; N580-N582 PolarHBondContact OD1-N 2.94Å
583K67.2Low80.4Confident124 Ų12460.9 Ų60.954%0.53930%0.296SS..BIsolated β-bridgetrans-138.573.2-174.9-63.1-169.5177.9-171.10109.1N580 I585N580-K583 CarbonylContact O-C 3.57Å; N580-K583 PolarHBondContact O-N 2.89Å; N580-K583 VanDerWaalsContact O-N 3.16Å; N580-K583 WeakPolarHBondContact OD1-CA 3.48Å; N580-K583 VanDerWaalsContact OD1-CB 3.26Å; N580-K583 WeakPolarHBondContact OD1-CB 3.48Å; N580-K583 PolarHBondContact OD1-N 3.2Å; K583-I585 HydrophobicContact CB-CD1 3.91Å; K583-I585 HydrophobicContact CB-CG1 4.09Å; K583-I585 HydrophobicContact CD-CD1 4.38Å; K583-I585 HydrophobicContact CG-CD1 4.07Å; K583-I585 PolarHBondContact O-N 3.09Å
584I64.3Low79.3Confident99 Ų9965.5 Ų65.551%0.50832%0.319SS..  trans-91.686.1161.9-58.2177.1000105F280F280-I584 HydrophobicContact CE1-CD1 4.29Å
585I52.2Low77.9Confident67 Ų6771 Ų7134%0.34435%0.345SS..  trans-119.9126.4-175.5-42.1178.6000107.5V225 K583V225-I585 HydrophobicContact CB-CB 4.43Å; V225-I585 HydrophobicContact CB-CG2 3.92Å; V225-I585 HydrophobicContact CG1-CB 4.17Å; V225-I585 HydrophobicContact CG1-CG2 3.23Å; V225-I585 HydrophobicContact CG2-CB 3.64Å; V225-I585 HydrophobicContact CG2-CD1 3.13Å; V225-I585 HydrophobicContact CG2-CG1 3.87Å; V225-I585 HydrophobicContact CG2-CG2 3.46Å; V225-I585 VanDerWaalsContact CG2-CG2 3.46Å; K583-I585 HydrophobicContact CB-CD1 3.91Å; K583-I585 HydrophobicContact CB-CG1 4.09Å; K583-I585 HydrophobicContact CD-CD1 4.38Å; K583-I585 HydrophobicContact CG-CD1 4.07Å; K583-I585 PolarHBondContact O-N 3.09Å
586F59.6Low76.4Confident189 Ų18976.2 Ų76.283%0.82937%0.37SS*.  trans85.90-157.9-127.5-88.5000115.6R579R579-F586 PolarHBondContact NH1-O 3.43Å; R579-F586 PolarHBondContact NH2-O 3.37Å; R579-F586 VanDerWaalsContact NH2-O 3.14Å

Retrieved 586 of 586 residues in 725.9 ms (Link to these results)

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