A0A3Q0KRZ0_SCHMA Loading...

Dcp1 related

AlphaFold DB , UniProt , Accession A0A3Q0KRZ0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 528 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
1M52Low85.9Confident158 Ų15877.4 Ų77.478%0.77838%0.382SS*.  0-100.30-143.8161.7-78.400111.5E3 E4 D5M1-E3 PolarHBondContact O-N 3.48Å; M1-E3 VanDerWaalsContact O-N 3.17Å; M1-E4 WeakPolarHBondContact O-CB 3.46Å; M1-E4 PolarHBondContact O-N 3.37Å; M1-D5 PolarHBondContact O-N 3.34Å
2K73.4Confident86.7Confident169 Ų16970.9 Ų70.974%0.73535%0.35SS*.Hα-helixtrans-47.3-52.4-171.9-75.4-165.3176.9-172.70115.7E4 D5 E6K2-E4 VanDerWaalsContact C-N 3.3Å; K2-E4 PolarHBondContact O-N 3.37Å; K2-D5 PolarHBondContact O-N 3Å; K2-E6 WeakPolarHBondContact O-CB 3.45Å; K2-E6 WeakPolarHBondContact O-CG 3.21Å; K2-E6 PolarHBondContact O-N 3.25Å
3E83.3Confident87.5Confident156 Ų15671.5 Ų71.573%0.72935%0.351SS*.Hα-helixtrans-60.4-36.4-178.7-175171.4-162.300113.2M1 L7M1-E3 PolarHBondContact O-N 3.48Å; M1-E3 VanDerWaalsContact O-N 3.17Å; E3-L7 WeakPolarHBondContact O-CB 3.34Å; E3-L7 PolarHBondContact O-N 3.05Å
4E84.8Confident88.1Confident15 Ų1573.6 Ų73.67%0.0737%0.37CS..Hα-helixtrans-69.1-43.9176.9-169.4-122.1141.600110.9M1 K2 L7 N8 K25M1-E4 WeakPolarHBondContact O-CB 3.46Å; M1-E4 PolarHBondContact O-N 3.37Å; K2-E4 VanDerWaalsContact C-N 3.3Å; K2-E4 PolarHBondContact O-N 3.37Å; E4-L7 PolarHBondContact O-N 3.2Å; E4-N8 WeakPolarHBondContact O-CB 3.37Å; E4-N8 PolarHBondContact O-N 3.46Å; E4-N8 PolarHBondContact O-ND2 3.22Å; E4-N8 PolarHBondContact OE1-ND2 3.17Å; E4-K25 IonicContact OE1-NZ 2.88Å; E4-K25 PolarHBondContact OE1-NZ 3.28Å; E4-K25 IonicContact OE2-NZ 2.71Å; E4-K25 PolarHBondContact OE2-NZ 3.18Å
5D87.4Confident88.6Confident62 Ų6274.6 Ų74.633%0.33237%0.369SS..Hα-helixtrans-69.8-35.7178.4-66.9-38.1000112.3M1 K2 L7 L9 K25M1-D5 PolarHBondContact O-N 3.34Å; K2-D5 PolarHBondContact O-N 3Å; D5-L7 VanDerWaalsContact C-N 3.34Å; D5-L9 WeakPolarHBondContact O-CB 3.43Å; D5-L9 PolarHBondContact O-N 2.92Å; D5-K25 IonicContact OD1-NZ 2.77Å; D5-K25 PolarHBondContact OD1-NZ 3Å
6E91.3Very high89.1Confident117 Ų11770.8 Ų70.855%0.54735%0.35SS..Hα-helixtrans-63.3-38.7172.2-74.1168-153.700111.7K2 T10K2-E6 WeakPolarHBondContact O-CB 3.45Å; K2-E6 WeakPolarHBondContact O-CG 3.21Å; K2-E6 PolarHBondContact O-N 3.25Å; E6-T10 WeakPolarHBondContact O-CB 3.47Å; E6-T10 PolarHBondContact O-N 3.36Å; E6-T10 PolarHBondContact O-OG1 2.88Å
7L92.5Very high89.6Confident22 Ų2275.9 Ų75.912%0.11537%0.37CS..Hα-helixtrans-76.9-40.5179.2-171.544.8000112.5E3 E4 D5 L9 T10 V11 I283E3-L7 WeakPolarHBondContact O-CB 3.34Å; E3-L7 PolarHBondContact O-N 3.05Å; E4-L7 PolarHBondContact O-N 3.2Å; D5-L7 VanDerWaalsContact C-N 3.34Å; L7-L9 VanDerWaalsContact C-N 3.33Å; L7-L9 PolarHBondContact O-N 2.81Å; L7-T10 WeakPolarHBondContact O-CB 3.37Å; L7-T10 PolarHBondContact O-N 3.5Å; L7-V11 WeakPolarHBondContact O-CG2 3.45Å; L7-V11 PolarHBondContact O-N 3.02Å; L7-I283 HydrophobicContact CD1-CG2 4.37Å; L7-I283 HydrophobicContact CD2-CB 3.55Å; L7-I283 HydrophobicContact CD2-CG2 3.33Å; L7-I283 HydrophobicContact CG-CB 4.36Å; L7-I283 HydrophobicContact CG-CG2 3.58Å
8N94Very high90.1Very high1 Ų175.6 Ų75.61%0.00537%0.365CS..Hα-helixtrans-56.7-46.9168-81-69.3000111.4E4 T10 V11 I12 I22 F51 L288E4-N8 WeakPolarHBondContact O-CB 3.37Å; E4-N8 PolarHBondContact O-N 3.46Å; E4-N8 PolarHBondContact O-ND2 3.22Å; E4-N8 PolarHBondContact OE1-ND2 3.17Å; N8-T10 VanDerWaalsContact C-N 3.31Å; N8-T10 PolarHBondContact O-N 2.77Å; N8-V11 PolarHBondContact O-N 2.72Å; N8-I12 WeakPolarHBondContact O-CG1 3.46Å; N8-I12 PolarHBondContact O-N 2.79Å; N8-I22 HydrophobicContact CB-CD1 3.4Å; N8-I22 VanDerWaalsContact CB-CD1 3.4Å; N8-F51 HydrophobicContact CB-CE1 4.19Å; N8-F51 WeakPolarHBondContact OD1-CE1 3.42Å; N8-F51 WeakPolarHBondContact OD1-CZ 3.43Å; N8-L288 VanDerWaalsContact OD1-CD1 3.31Å; N8-L288 WeakPolarHBondContact OD1-CD1 3.11Å; N8-L288 VanDerWaalsContact OD1-CD2 3.31Å; N8-L288 WeakPolarHBondContact OD1-CD2 3.02Å
9L95.5Very high90.5Very high39 Ų3971.7 Ų71.720%0.20435%0.346CS..Hα-helixtrans-59.5-44.3178.3-178.168000110.9D5 L7 V11 I12 Q13 C19D5-L9 WeakPolarHBondContact O-CB 3.43Å; D5-L9 PolarHBondContact O-N 2.92Å; L7-L9 VanDerWaalsContact C-N 3.33Å; L7-L9 PolarHBondContact O-N 2.81Å; L9-V11 PolarHBondContact O-N 3.39Å; L9-I12 PolarHBondContact O-N 3.3Å; L9-Q13 WeakPolarHBondContact O-CB 3.15Å; L9-Q13 VanDerWaalsContact O-CG 3.27Å; L9-Q13 WeakPolarHBondContact O-CG 3.2Å; L9-Q13 PolarHBondContact O-N 3.4Å; L9-C19 VanDerWaalsContact CD1-SG 3.52Å
10T95.9Very high90.8Very high72 Ų7271.6 Ų71.644%0.44235%0.35SS..Hα-helixtrans-59.5-44.5175.3-58.80000111.7E6 L7 N8 Q13 T14E6-T10 WeakPolarHBondContact O-CB 3.47Å; E6-T10 PolarHBondContact O-N 3.36Å; E6-T10 PolarHBondContact O-OG1 2.88Å; L7-T10 WeakPolarHBondContact O-CB 3.37Å; L7-T10 PolarHBondContact O-N 3.5Å; N8-T10 VanDerWaalsContact C-N 3.31Å; N8-T10 PolarHBondContact O-N 2.77Å; T10-Q13 PolarHBondContact O-N 2.96Å; T10-T14 WeakPolarHBondContact O-CG2 3.35Å; T10-T14 PolarHBondContact O-N 3.32Å
11V94.6Very high91.1Very high40 Ų4073 Ų7324%0.24236%0.356CS..Hα-helixtrans-61.8-47176.8170.50000111.3L7 N8 L9 Q13 T14 Y15 L66L7-V11 WeakPolarHBondContact O-CG2 3.45Å; L7-V11 PolarHBondContact O-N 3.02Å; N8-V11 PolarHBondContact O-N 2.72Å; L9-V11 PolarHBondContact O-N 3.39Å; V11-Q13 VanDerWaalsContact C-N 3.31Å; V11-Q13 PolarHBondContact O-N 3.32Å; V11-T14 PolarHBondContact O-N 3.5Å; V11-T14 PolarHBondContact O-OG1 3.29Å; V11-Y15 WeakPolarHBondContact O-CD2 3.42Å; V11-L66 HydrophobicContact CG1-CD1 4.48Å; V11-L66 HydrophobicContact CG1-CD2 3.75Å
12I96.3Very high93.3Very high0 Ų067 Ų670%033%0.327CS..Hα-helixtrans-61.8-40.6177.8-63.7167.5000110.7N8 L9 T14 Y15 D16 C19 I22 F51 Y53 M64N8-I12 WeakPolarHBondContact O-CG1 3.46Å; N8-I12 PolarHBondContact O-N 2.79Å; L9-I12 PolarHBondContact O-N 3.3Å; I12-T14 PolarHBondContact O-N 3.38Å; I12-Y15 PolarHBondContact O-N 3.36Å; I12-D16 PolarHBondContact O-N 3.48Å; I12-C19 HydrophobicContact CG2-CB 3.75Å; I12-I22 HydrophobicContact CD1-CD1 3.72Å; I12-I22 HydrophobicContact CD1-CG1 3.75Å; I12-F51 HydrophobicContact CD1-CB 3.84Å; I12-F51 HydrophobicContact CD1-CD1 3.93Å; I12-F51 HydrophobicContact CD1-CD2 4.11Å; I12-F51 HydrophobicContact CD1-CG 3.7Å; I12-F51 HydrophobicContact CG1-CD2 4.29Å; I12-F51 HydrophobicContact CG1-CG 4.38Å; I12-Y53 HydrophobicContact CG2-CD1 4.2Å; I12-Y53 HydrophobicContact CG2-CD2 4.34Å; I12-Y53 HydrophobicContact CG2-CE1 4.05Å; I12-Y53 HydrophobicContact CG2-CE2 4.16Å; I12-Y53 HydrophobicContact CG2-CG 4.34Å; I12-M64 HydrophobicContact CB-CE 4.45Å; I12-M64 HydrophobicContact CG1-SD 4.33Å; I12-M64 HydrophobicContact CG2-CE 3.85Å
13Q97Very high94.5Very high78 Ų7861.1 Ų61.136%0.36430%0.303SS..Hα-helixtrans-63-21178.6-76.8174.7-5.400114L9 T10 V11 Y15 K17 C19L9-Q13 WeakPolarHBondContact O-CB 3.15Å; L9-Q13 VanDerWaalsContact O-CG 3.27Å; L9-Q13 WeakPolarHBondContact O-CG 3.2Å; L9-Q13 PolarHBondContact O-N 3.4Å; T10-Q13 PolarHBondContact O-N 2.96Å; V11-Q13 VanDerWaalsContact C-N 3.31Å; V11-Q13 PolarHBondContact O-N 3.32Å; Q13-Y15 PolarHBondContact O-N 2.65Å; Q13-K17 WeakPolarHBondContact O-CA 3.46Å; Q13-K17 PolarHBondContact O-N 2.67Å; Q13-C19 HydrophobicContact CG-CB 4.1Å; Q13-C19 PolarHBondContact NE2-O 2.78Å
14T95.9Very high95.2Very high101 Ų10154.1 Ų54.162%0.6227%0.271SS*.THydrogen-bonded Turntrans-65.9-25.8172.169.50000113.2T10 V11 I12T10-T14 WeakPolarHBondContact O-CG2 3.35Å; T10-T14 PolarHBondContact O-N 3.32Å; V11-T14 PolarHBondContact O-N 3.5Å; V11-T14 PolarHBondContact O-OG1 3.29Å; I12-T14 PolarHBondContact O-N 3.38Å
15Y95.6Very high95.8Very high89 Ų8955.4 Ų55.435%0.34928%0.276SS..THydrogen-bonded Turntrans-103.6-38.4177.6-54-82.9000112.6V11 I12 Q13 M64 L66 P71 N74V11-Y15 WeakPolarHBondContact O-CD2 3.42Å; I12-Y15 PolarHBondContact O-N 3.36Å; Q13-Y15 PolarHBondContact O-N 2.65Å; Y15-M64 HydrophobicContact CD2-CE 4.06Å; Y15-M64 HydrophobicContact CD2-SD 4.33Å; Y15-M64 HydrophobicContact CG-CE 4.23Å; Y15-L66 HydrophobicContact CE2-CD1 4.03Å; Y15-P71 VanDerWaalsContact OH-CB 3.23Å; Y15-P71 WeakPolarHBondContact OH-CB 3.4Å; Y15-N74 WeakPolarHBondContact CE1-ND2 3.46Å; Y15-N74 WeakPolarHBondContact CE2-ND2 3.5Å; Y15-N74 PolarHBondContact OH-ND2 2.92Å
16D96.7Very high96.2Very high14 Ų1452.5 Ų52.58%0.07526%0.261CS..  trans-132.984.2178.7-173.612.6000110.9I12 Y18 C19 Y53 R55I12-D16 PolarHBondContact O-N 3.48Å; D16-Y18 PolarHBondContact O-N 3.18Å; D16-Y18 PolarHBondContact OD1-N 2.81Å; D16-C19 VanDerWaalsContact O-CB 3.32Å; D16-C19 WeakPolarHBondContact O-CB 3.1Å; D16-C19 PolarHBondContact O-N 3.33Å; D16-Y53 HydrophobicContact CB-CE2 4.41Å; D16-Y53 WeakPolarHBondContact CB-OH 3.27Å; D16-Y53 VanDerWaalsContact OD2-CE2 3.25Å; D16-Y53 WeakPolarHBondContact OD2-CE2 3.46Å; D16-Y53 PolarHBondContact OD2-OH 2.76Å; D16-R55 IonicContact OD1-CZ 2.99Å; D16-R55 IonicContact OD1-NE 3.44Å; D16-R55 IonicContact OD1-NH2 3.45Å; D16-R55 PolarHBondContact OD1-NH2 3.36Å; D16-R55 IonicContact OD2-CZ 2.73Å; D16-R55 IonicContact OD2-NE 3.73Å; D16-R55 PolarHBondContact OD2-NE 3.23Å; D16-R55 IonicContact OD2-NH2 3.31Å; D16-R55 PolarHBondContact OD2-NH2 2.61Å
17K97.2Very high96.4Very high158 Ų15847.5 Ų47.569%0.68724%0.239SC*.THydrogen-bonded Turntrans-54.4-7.1178.371.5-179.8-177.5-177.90115.9Q13Q13-K17 WeakPolarHBondContact O-CA 3.46Å; Q13-K17 PolarHBondContact O-N 2.67Å
18Y98.1Very high96.4Very high70 Ų7047.1 Ų47.128%0.27524%0.238SC..THydrogen-bonded Turntrans-90.2-8.6174.4-59.4-60.2000113.1D16 T20 R55 S56 K57D16-Y18 PolarHBondContact O-N 3.18Å; D16-Y18 PolarHBondContact OD1-N 2.81Å; Y18-T20 PolarHBondContact O-N 3.26Å; Y18-R55 CarbonylContact O-C 3.46Å; Y18-R55 WeakPolarHBondContact O-CA 3.42Å; Y18-S56 PolarHBondContact O-N 2.81Å; Y18-S56 PolarHBondContact O-OG 3.22Å; Y18-K57 HydrophobicContact CD1-CD 3.93Å; Y18-K57 HydrophobicContact CD1-CG 4.06Å; Y18-K57 HydrophobicContact CE1-CD 3.53Å; Y18-K57 VanDerWaalsContact CE1-CE 3.42Å; Y18-K57 HydrophobicContact CE1-CG 4.17Å; Y18-K57 HydrophobicContact CE2-CD 4.39Å; Y18-K57 PolarHBondContact OH-NZ 2.87Å; Y18-K57 VanDerWaalsContact OH-NZ 3.13Å
19C97.9Very high96.5Very high2 Ų247.1 Ų47.11%0.01424%0.237CC..EExtended strand (participates in β ladder)trans-60127.5175.9-175.30000111.7L9 I12 Q13 D16 Y53 K54L9-C19 VanDerWaalsContact CD1-SG 3.52Å; I12-C19 HydrophobicContact CG2-CB 3.75Å; Q13-C19 HydrophobicContact CG-CB 4.1Å; Q13-C19 PolarHBondContact NE2-O 2.78Å; D16-C19 VanDerWaalsContact O-CB 3.32Å; D16-C19 WeakPolarHBondContact O-CB 3.1Å; D16-C19 PolarHBondContact O-N 3.33Å; C19-Y53 HydrophobicContact CB-CD2 3.66Å; C19-Y53 HydrophobicContact CB-CE2 3.76Å; C19-Y53 WeakPolarHBondContact SG-CD2 3.21Å; C19-K54 WeakPolarHBondContact CA-O 3.3Å
20T97.5Very high96.5Very high69 Ų6946.6 Ų46.642%0.42323%0.234SC..EExtended strand (participates in β ladder)trans-119.8-22.8-177.450.20000114.4Y18 K54Y18-T20 PolarHBondContact O-N 3.26Å; T20-K54 PolarHBondContact N-O 3.28Å; T20-K54 PolarHBondContact OG1-O 2.78Å
21Q97.4Very high96.6Very high102 Ų10243.2 Ų43.248%0.47721%0.213SC..EExtended strand (participates in β ladder)trans-161.7132.2-176.4-178.7-177.111.400110.1L23 Y53 K54Q21-L23 HydrophobicContact CG-CD2 4.18Å; Q21-Y53 CarbonylContact O-C 3.51Å; Q21-Y53 WeakPolarHBondContact O-CA 3.41Å; Q21-Y53 WeakPolarHBondContact O-CB 3.34Å; Q21-K54 HydrophobicContact CB-CB 4.17Å; Q21-K54 PolarHBondContact O-N 3.44Å
22I97.3Very high96.7Very high32 Ų3241.4 Ų41.416%0.16420%0.202CC..EExtended strand (participates in β ladder)trans-78.1132.2167.8-61.1170.7000108.4N8 I12 D24 F51N8-I22 HydrophobicContact CB-CD1 3.4Å; N8-I22 VanDerWaalsContact CB-CD1 3.4Å; I12-I22 HydrophobicContact CD1-CD1 3.72Å; I12-I22 HydrophobicContact CD1-CG1 3.75Å; I22-D24 WeakPolarHBondContact CG2-O 3.26Å; I22-F51 HydrophobicContact CD1-CD1 4.24Å; I22-F51 HydrophobicContact CD1-CE1 4.41Å; I22-F51 HydrophobicContact CG2-CD1 4.31Å
23L98Very high96.6Very high45 Ų4542.9 Ų42.924%0.23621%0.212CC..EExtended strand (participates in β ladder)trans-106.7-26.5180-57.1178.2000112Q21 L52 K54 F61 K118 L122Q21-L23 HydrophobicContact CG-CD2 4.18Å; L23-L52 WeakPolarHBondContact CA-O 3.31Å; L23-L52 HydrophobicContact CB-CG 4.37Å; L23-L52 WeakPolarHBondContact CB-O 3.35Å; L23-L52 PolarHBondContact N-O 2.78Å; L23-K54 HydrophobicContact CD1-CB 4.19Å; L23-K54 HydrophobicContact CD2-CB 4.32Å; L23-K54 HydrophobicContact CG-CB 4.29Å; L23-F61 HydrophobicContact CD1-CD1 3.57Å; L23-F61 HydrophobicContact CD1-CE1 3.77Å; L23-K118 PolarHBondContact O-NZ 3.41Å; L23-L122 HydrophobicContact CD1-CD1 4.16Å
24D98.1Very high96.5Very high9 Ų940.7 Ų40.75%0.04820%0.202CC..EExtended strand (participates in β ladder)trans-158.2155.6174.8-139.7-51.8000112.4I22 F51 L52 R114 I115 K118I22-D24 WeakPolarHBondContact CG2-O 3.26Å; D24-F51 WeakPolarHBondContact O-CA 3.32Å; D24-L52 HydrophobicContact CB-CB 3.92Å; D24-L52 HydrophobicContact CB-CD2 4.38Å; D24-L52 PolarHBondContact N-O 2.81Å; D24-L52 PolarHBondContact O-N 2.84Å; D24-R114 IonicContact OD1-CZ 3.98Å; D24-R114 IonicContact OD1-NH1 2.96Å; D24-R114 PolarHBondContact OD1-NH1 2.99Å; D24-R114 IonicContact OD1-NH2 2.67Å; D24-R114 PolarHBondContact OD1-NH2 3.01Å; D24-R114 IonicContact OD2-CZ 3.48Å; D24-R114 IonicContact OD2-NH1 3.5Å; D24-R114 PolarHBondContact OD2-NH1 2.97Å; D24-I115 HydrophobicContact CB-CG1 4.33Å; D24-K118 HydrophobicContact CB-CD 4.1Å; D24-K118 WeakPolarHBondContact OD2-CE 3.45Å; D24-K118 IonicContact OD2-NZ 2.75Å; D24-K118 PolarHBondContact OD2-NZ 3.33Å
25K97.1Very high96.1Very high41 Ų4139.1 Ų39.118%0.17819%0.187CC..EExtended strand (participates in β ladder)trans-142.1149.9172.261.5-168.2-179.3-174.20111.1E4 D5 F50 F51 R114 L292E4-K25 IonicContact OE1-NZ 2.88Å; E4-K25 PolarHBondContact OE1-NZ 3.28Å; E4-K25 IonicContact OE2-NZ 2.71Å; E4-K25 PolarHBondContact OE2-NZ 3.18Å; D5-K25 IonicContact OD1-NZ 2.77Å; D5-K25 PolarHBondContact OD1-NZ 3Å; K25-F50 CarbonylContact C-O 3.59Å; K25-F50 VanDerWaalsContact CA-O 3.24Å; K25-F50 WeakPolarHBondContact CA-O 3.2Å; K25-F51 HydrophobicContact CB-CD1 3.87Å; K25-F51 HydrophobicContact CB-CE1 4.05Å; K25-R114 PolarHBondContact O-NH2 3.38Å; K25-L292 HydrophobicContact CD-CD2 3.85Å; K25-L292 HydrophobicContact CG-CD2 4.42Å
26S97.1Very high95.8Very high1 Ų139.6 Ų39.61%0.00720%0.204CC..EExtended strand (participates in β ladder)trans-139.7137.6166.3177.60000109.8S28 I49 F50 D111S26-S28 VanDerWaalsContact C-N 3.33Å; S26-S28 PolarHBondContact O-N 2.94Å; S26-I49 WeakPolarHBondContact O-CG2 3.48Å; S26-F50 PolarHBondContact N-O 3.43Å; S26-F50 PolarHBondContact O-N 3.47Å; S26-D111 VanDerWaalsContact CB-OD2 3.27Å; S26-D111 WeakPolarHBondContact CB-OD2 3.46Å; S26-D111 PolarHBondContact OG-OD2 2.74Å
27P94Very high95.5Very high13 Ų1344.6 Ų44.68%0.08423%0.23CC..EExtended strand (participates in β ladder)trans-68.2-29.2-167.8-18.631.5000114R68 L292P27-R68 PolarHBondContact O-NH2 2.92Å; P27-L292 HydrophobicContact CB-CB 4.2Å; P27-L292 HydrophobicContact CB-CD1 4.37Å; P27-L292 HydrophobicContact CG-CB 4.02Å
28S93.7Very high95.1Very high14 Ų1443 Ų4310%0.09822%0.223CC..EExtended strand (participates in β ladder)trans-145.9107.5-170.5-175.60000112.2S26 G48 F107S26-S28 VanDerWaalsContact C-N 3.33Å; S26-S28 PolarHBondContact O-N 2.94Å; S28-G48 CarbonylContact C-O 3.58Å; S28-G48 WeakPolarHBondContact CA-O 3.44Å; S28-F107 PolarHBondContact O-N 3.32Å
29A96.4Very high94.6Very high0 Ų043.7 Ų43.70%023%0.232CC..EExtended strand (participates in β ladder)trans-130.9142.2174.700000110.7G47 G48 F50 I65 I104 W105 F106A29-G47 WeakPolarHBondContact O-CA 3.27Å; A29-G48 PolarHBondContact N-O 2.9Å; A29-G48 PolarHBondContact O-N 3.02Å; A29-F50 HydrophobicContact CB-CB 3.8Å; A29-I65 HydrophobicContact CB-CD1 4.3Å; A29-I65 HydrophobicContact CB-CG1 4.5Å; A29-I104 HydrophobicContact CB-CG2 3.82Å; A29-W105 CarbonylContact C-O 3.54Å; A29-W105 VanDerWaalsContact CA-O 3.28Å; A29-W105 WeakPolarHBondContact CA-O 3.24Å; A29-F106 HydrophobicContact CB-CD1 4Å; A29-F106 HydrophobicContact CB-CE1 4Å
30H96Very high94Very high28 Ų2845 Ų4513%0.1324%0.243CC..EExtended strand (participates in β ladder)trans-133.9131.4-175.3-72.583.5000111.4Y32 G47 W105 F216H30-Y32 HydrophobicContact CB-CE2 4.35Å; H30-G47 WeakPolarHBondContact CD2-CA 3.48Å; H30-W105 HydrophobicContact CB-CE3 4.26Å; H30-W105 PolarHBondContact N-O 2.87Å; H30-W105 AromaticContact ND1-CE3 3.94Å; H30-W105 AromaticContact ND1-CZ3 3.98Å; H30-W105 PolarHBondContact O-N 3.21Å; H30-F216 AromaticContact CD2-CE2 3.61Å; H30-F216 AromaticContact CE1-CE2 3.59Å; H30-F216 AromaticContact CE1-CZ 3.74Å; H30-F216 AromaticContact CG-CE2 3.83Å; H30-F216 AromaticContact ND1-CE2 3.81Å; H30-F216 AromaticContact NE2-CE2 3.46Å; H30-F216 WeakPolarHBondContact NE2-CE2 3.39Å; H30-F216 AromaticContact NE2-CZ 3.97Å
31V96.7Very high93.6Very high1 Ų143.3 Ų43.31%0.00623%0.229CC..EExtended strand (participates in β ladder)trans-99.9135.1-173.1-168.90000112T44 T46 I65 F102 S103V31-T44 HydrophobicContact CB-CG2 4.31Å; V31-T44 HydrophobicContact CG1-CG2 4.18Å; V31-T44 WeakPolarHBondContact O-CB 3.35Å; V31-T44 WeakPolarHBondContact O-CG2 3.45Å; V31-T44 PolarHBondContact O-N 2.89Å; V31-T44 PolarHBondContact O-OG1 3.2Å; V31-T46 HydrophobicContact CG2-CG2 3.98Å; V31-T46 PolarHBondContact N-O 2.98Å; V31-I65 HydrophobicContact CG2-CD1 3.3Å; V31-F102 HydrophobicContact CG1-CB 4.4Å; V31-F102 HydrophobicContact CG1-CD1 3.84Å; V31-S103 WeakPolarHBondContact CA-O 3.42Å
32Y95.9Very high93.2Very high3 Ų339.5 Ų39.51%0.01222%0.215CC..EExtended strand (participates in β ladder)trans-115.2142.2168.6-59.4-91.9000108.6H30 W41 A42 K43 F102 S103 W105 A212H30-Y32 HydrophobicContact CB-CE2 4.35Å; Y32-W41 WeakPolarHBondContact O-CZ3 3.43Å; Y32-A42 CarbonylContact C-O 3.52Å; Y32-A42 VanDerWaalsContact CA-O 3.29Å; Y32-A42 WeakPolarHBondContact CA-O 3.47Å; Y32-K43 VanDerWaalsContact CD1-CA 3.49Å; Y32-K43 HydrophobicContact CD1-CB 3.85Å; Y32-K43 HydrophobicContact CD1-CG 4.14Å; Y32-K43 HydrophobicContact CE1-CB 3.6Å; Y32-K43 HydrophobicContact CE1-CD 3.92Å; Y32-K43 HydrophobicContact CE1-CG 3.53Å; Y32-F102 CarbonylContact O-C 3.58Å; Y32-F102 WeakPolarHBondContact O-CA 3.44Å; Y32-S103 PolarHBondContact N-O 3.41Å; Y32-S103 PolarHBondContact O-N 2.94Å; Y32-W105 HydrophobicContact CE2-CB 3.96Å; Y32-A212 HydrophobicContact CD1-CB 4.06Å; Y32-A212 HydrophobicContact CE1-CB 3.56Å; Y32-A212 PolarHBondContact OH-O 3.49Å
33S95.3Very high92.9Very high30 Ų3042.9 Ų42.921%0.2123%0.228CC..EExtended strand (participates in β ladder)trans-112.6142.9173.360.50000110.4W41 A42S33-W41 VanDerWaalsContact C-CE3 3.48Å; S33-A42 PolarHBondContact N-O 2.9Å; S33-A42 PolarHBondContact O-N 3.42Å
34F94.1Very high92.7Very high33 Ų3342.4 Ų42.415%0.14523%0.227CC..EExtended strand (participates in β ladder)trans-86.4119.3176.8-174.9-111.2000110S36 N39 W41 I101 M172F34-S36 PolarHBondContact O-N 3.34Å; F34-N39 WeakPolarHBondContact CZ-OD1 3.43Å; F34-W41 HydrophobicContact CB-CD2 4.26Å; F34-W41 HydrophobicContact CB-CE3 4.07Å; F34-W41 HydrophobicContact CB-CH2 3.99Å; F34-W41 HydrophobicContact CB-CZ2 4.13Å; F34-W41 HydrophobicContact CB-CZ3 3.93Å; F34-W41 HydrophobicContact CD2-CD2 4.1Å; F34-W41 AromaticContact CD2-CE2 3.79Å; F34-W41 HydrophobicContact CD2-CG 4.31Å; F34-W41 HydrophobicContact CD2-CZ2 4.24Å; F34-W41 AromaticContact CD2-NE1 3.72Å; F34-W41 HydrophobicContact CG-CZ2 4.5Å; F34-I101 HydrophobicContact CB-CB 3.95Å; F34-I101 HydrophobicContact CB-CG2 4.08Å; F34-I101 HydrophobicContact CD1-CD1 4.43Å; F34-I101 PolarHBondContact N-O 2.69Å; F34-M172 HydrophobicContact CZ-CE 4.11Å; F34-M172 HydrophobicContact CZ-SD 4.42Å
35Q89Confident92.5Very high68 Ų6850.3 Ų50.332%0.31826%0.261SS..EExtended strand (participates in β ladder)trans-90.194174.6-67.4-166.22.800108.3D37 K38 N39 A40 A42Q35-D37 VanDerWaalsContact C-N 3.26Å; Q35-D37 WeakPolarHBondContact CB-OD1 3.33Å; Q35-D37 PolarHBondContact O-N 3.26Å; Q35-K38 HydrophobicContact CB-CB 4.45Å; Q35-K38 CarbonylContact O-C 3.59Å; Q35-K38 PolarHBondContact O-N 3.3Å; Q35-K38 VanDerWaalsContact O-N 3.1Å; Q35-N39 PolarHBondContact O-N 2.91Å; Q35-A40 WeakPolarHBondContact CB-O 3.41Å; Q35-A40 PolarHBondContact N-O 2.72Å; Q35-A40 PolarHBondContact O-N 3.29Å; Q35-A40 VanDerWaalsContact O-N 3.11Å; Q35-A42 HydrophobicContact CG-CB 3.93Å; Q35-A42 VanDerWaalsContact NE2-CB 3.27Å
36S87.7Confident92.4Very high99 Ų9949.3 Ų49.369%0.69226%0.258SS*.THydrogen-bonded Turntrans-63.6-29.8-175.950.60000113.3F34 K38 N39F34-S36 PolarHBondContact O-N 3.34Å; S36-K38 VanDerWaalsContact C-N 3.27Å; S36-K38 PolarHBondContact O-N 2.98Å; S36-N39 PolarHBondContact O-N 3.43Å
37D90.7Very high92.2Very high118 Ų11849.6 Ų49.663%0.63126%0.262SS*.THydrogen-bonded Turntrans-62.4-31.1172.664.7-45.5000113.1Q35Q35-D37 VanDerWaalsContact C-N 3.26Å; Q35-D37 WeakPolarHBondContact CB-OD1 3.33Å; Q35-D37 PolarHBondContact O-N 3.26Å
38K89.8Confident92.2Very high124 Ų12449 Ų4954%0.53926%0.258SS..THydrogen-bonded Turntrans-107.9-1179.6-61.8177.8-157.874.30113.4Q35 S36 A40Q35-K38 HydrophobicContact CB-CB 4.45Å; Q35-K38 CarbonylContact O-C 3.59Å; Q35-K38 PolarHBondContact O-N 3.3Å; Q35-K38 VanDerWaalsContact O-N 3.1Å; S36-K38 VanDerWaalsContact C-N 3.27Å; S36-K38 PolarHBondContact O-N 2.98Å; K38-A40 HydrophobicContact CB-CB 4.04Å; K38-A40 PolarHBondContact O-N 3.13Å
39N86.5Confident92.3Very high85 Ų8548.4 Ų48.446%0.45525%0.253SS..THydrogen-bonded Turntrans50.436.8-170.4-168.943.1000113F34 Q35 S36 M172F34-N39 WeakPolarHBondContact CZ-OD1 3.43Å; Q35-N39 PolarHBondContact O-N 2.91Å; S36-N39 PolarHBondContact O-N 3.43Å; N39-M172 WeakPolarHBondContact OD1-CE 3.45Å
40A85.2Confident92.4Very high30 Ų3048.4 Ų48.425%0.24825%0.253CS..EExtended strand (participates in β ladder)trans-138.2151-165.100000113.6Q35 K38 M208Q35-A40 WeakPolarHBondContact CB-O 3.41Å; Q35-A40 PolarHBondContact N-O 2.72Å; Q35-A40 PolarHBondContact O-N 3.29Å; Q35-A40 VanDerWaalsContact O-N 3.11Å; K38-A40 HydrophobicContact CB-CB 4.04Å; K38-A40 PolarHBondContact O-N 3.13Å; A40-M208 HydrophobicContact CB-SD 4.16Å
41W88.9Confident92.5Very high33 Ų3347 Ų4713%0.12525%0.247CC..EExtended strand (participates in β ladder)trans-86.6133.3174-72.992.3000112.2Y32 S33 F34 L93 I101 S103 I205 L209Y32-W41 WeakPolarHBondContact O-CZ3 3.43Å; S33-W41 VanDerWaalsContact C-CE3 3.48Å; F34-W41 HydrophobicContact CB-CD2 4.26Å; F34-W41 HydrophobicContact CB-CE3 4.07Å; F34-W41 HydrophobicContact CB-CH2 3.99Å; F34-W41 HydrophobicContact CB-CZ2 4.13Å; F34-W41 HydrophobicContact CB-CZ3 3.93Å; F34-W41 HydrophobicContact CD2-CD2 4.1Å; F34-W41 AromaticContact CD2-CE2 3.79Å; F34-W41 HydrophobicContact CD2-CG 4.31Å; F34-W41 HydrophobicContact CD2-CZ2 4.24Å; F34-W41 AromaticContact CD2-NE1 3.72Å; F34-W41 HydrophobicContact CG-CZ2 4.5Å; W41-L93 HydrophobicContact CZ2-CD2 4.28Å; W41-I101 HydrophobicContact CH2-CG2 3.85Å; W41-I101 HydrophobicContact CZ2-CG2 4.33Å; W41-S103 VanDerWaalsContact CZ3-CB 3.5Å; W41-I205 HydrophobicContact CZ2-CD1 4.06Å; W41-L209 HydrophobicContact CG-CD2 4.46Å
42A90.6Very high92.6Very high22 Ų2247 Ų4718%0.18225%0.247CC..EExtended strand (participates in β ladder)trans-113.8133.3173.800000110.9Y32 S33 Q35 T44Y32-A42 CarbonylContact C-O 3.52Å; Y32-A42 VanDerWaalsContact CA-O 3.29Å; Y32-A42 WeakPolarHBondContact CA-O 3.47Å; S33-A42 PolarHBondContact N-O 2.9Å; S33-A42 PolarHBondContact O-N 3.42Å; Q35-A42 HydrophobicContact CG-CB 3.93Å; Q35-A42 VanDerWaalsContact NE2-CB 3.27Å; A42-T44 PolarHBondContact O-N 2.83Å
43K90.2Very high92.7Very high104 Ų10446.9 Ų46.945%0.45225%0.246SC..EExtended strand (participates in β ladder)trans-70.1121.3171.7-170.4168.1-175.1170.40109.5Y32Y32-K43 VanDerWaalsContact CD1-CA 3.49Å; Y32-K43 HydrophobicContact CD1-CB 3.85Å; Y32-K43 HydrophobicContact CD1-CG 4.14Å; Y32-K43 HydrophobicContact CE1-CB 3.6Å; Y32-K43 HydrophobicContact CE1-CD 3.92Å; Y32-K43 HydrophobicContact CE1-CG 3.53Å
44T94.2Very high92.9Very high35 Ų3549.5 Ų49.522%0.21525%0.254CS..EExtended strand (participates in β ladder)trans-75.6175.817575.50000110.6V31 A42 T46V31-T44 HydrophobicContact CB-CG2 4.31Å; V31-T44 HydrophobicContact CG1-CG2 4.18Å; V31-T44 WeakPolarHBondContact O-CB 3.35Å; V31-T44 WeakPolarHBondContact O-CG2 3.45Å; V31-T44 PolarHBondContact O-N 2.89Å; V31-T44 PolarHBondContact O-OG1 3.2Å; A42-T44 PolarHBondContact O-N 2.83Å; T44-T46 WeakPolarHBondContact OG1-CB 3.42Å; T44-T46 PolarHBondContact OG1-N 3.33Å
45K93.9Very high93.1Very high175 Ų17549.1 Ų49.176%0.76125%0.252SS*.EExtended strand (participates in β ladder)trans-83.10168.1-66.1179.1178.5176.50112.8N67 L73K45-N67 PolarHBondContact O-ND2 3.02Å; K45-L73 HydrophobicContact CB-CD1 3.87Å; K45-L73 HydrophobicContact CD-CD1 4.01Å
46T93.8Very high93.5Very high19 Ų1949.1 Ų49.112%0.11726%0.259CS..EExtended strand (participates in β ladder)trans-90114.6-175-49.90000111V31 T44 I65 L73 Q75V31-T46 HydrophobicContact CG2-CG2 3.98Å; V31-T46 PolarHBondContact N-O 2.98Å; T44-T46 WeakPolarHBondContact OG1-CB 3.42Å; T44-T46 PolarHBondContact OG1-N 3.33Å; T46-I65 HydrophobicContact CG2-CB 4.06Å; T46-I65 HydrophobicContact CG2-CG2 3.8Å; T46-L73 PolarHBondContact OG1-O 3.49Å; T46-Q75 HydrophobicContact CG2-CB 3.75Å
47G93Very high93.9Very high8 Ų849.4 Ų49.48%0.08225%0.248CC..EExtended strand (participates in β ladder)trans-158.6133.5176.400000111.7A29 H30 N67 R68A29-G47 WeakPolarHBondContact O-CA 3.27Å; H30-G47 WeakPolarHBondContact CD2-CA 3.48Å; G47-N67 WeakPolarHBondContact O-CA 3.49Å; G47-R68 PolarHBondContact O-N 3.14Å; G47-R68 VanDerWaalsContact O-N 3.13Å
48G94.3Very high94.1Very high0 Ų049.2 Ų49.20%025%0.251CS..EExtended strand (participates in β ladder)trans159.1-144.1-178.900000114.1S28 A29 L66S28-G48 CarbonylContact C-O 3.58Å; S28-G48 WeakPolarHBondContact CA-O 3.44Å; A29-G48 PolarHBondContact N-O 2.9Å; A29-G48 PolarHBondContact O-N 3.02Å; G48-L66 CarbonylContact C-O 3.56Å; G48-L66 WeakPolarHBondContact CA-O 3.27Å
49I96.6Very high94.5Very high1 Ų144.6 Ų44.61%0.00523%0.234CC..EExtended strand (participates in β ladder)trans-82.8127.4-172.5-49179.9000109.2S26 F51 I65 L66 V285 L288 L292S26-I49 WeakPolarHBondContact O-CG2 3.48Å; I49-F51 HydrophobicContact CB-CE2 3.9Å; I49-F51 HydrophobicContact CB-CZ 4.2Å; I49-F51 HydrophobicContact CG2-CD2 4.28Å; I49-F51 HydrophobicContact CG2-CE1 4.09Å; I49-F51 HydrophobicContact CG2-CE2 3.58Å; I49-F51 HydrophobicContact CG2-CZ 3.46Å; I49-F51 VanDerWaalsContact CG2-CZ 3.46Å; I49-I65 CarbonylContact O-C 3.48Å; I49-I65 WeakPolarHBondContact O-CA 3.28Å; I49-L66 PolarHBondContact N-O 3.22Å; I49-L66 PolarHBondContact O-N 3.4Å; I49-V285 HydrophobicContact CD1-CG1 4.1Å; I49-L288 HydrophobicContact CD1-CD2 3.76Å; I49-L292 HydrophobicContact CD1-CD1 4.48Å; I49-L292 HydrophobicContact CG2-CD1 4.16Å
50F98.1Very high95Very high0 Ų045.7 Ų45.70%023%0.234CC..EExtended strand (participates in β ladder)trans-89.4136.5174.1178.9-81.2000110.2K25 S26 A29 L52 F63 M64 I65 I104 F106 I115K25-F50 CarbonylContact C-O 3.59Å; K25-F50 VanDerWaalsContact CA-O 3.24Å; K25-F50 WeakPolarHBondContact CA-O 3.2Å; S26-F50 PolarHBondContact N-O 3.43Å; S26-F50 PolarHBondContact O-N 3.47Å; A29-F50 HydrophobicContact CB-CB 3.8Å; F50-L52 HydrophobicContact CE1-CB 3.86Å; F50-L52 HydrophobicContact CZ-CB 4.39Å; F50-F63 HydrophobicContact CD2-CD2 4.45Å; F50-F63 HydrophobicContact CE1-CB 4.41Å; F50-F63 HydrophobicContact CE2-CB 3.88Å; F50-F63 AromaticContact CE2-CD2 3.59Å; F50-F63 HydrophobicContact CE2-CD2 3.59Å; F50-F63 HydrophobicContact CE2-CE2 4.31Å; F50-F63 AromaticContact CE2-CG 3.91Å; F50-F63 HydrophobicContact CE2-CG 3.91Å; F50-F63 HydrophobicContact CZ-CB 3.61Å; F50-F63 HydrophobicContact CZ-CD2 4.16Å; F50-F63 AromaticContact CZ-CG 3.99Å; F50-F63 HydrophobicContact CZ-CG 3.99Å; F50-M64 CarbonylContact C-O 3.58Å; F50-M64 WeakPolarHBondContact CA-O 3.18Å; F50-I65 HydrophobicContact CB-CG1 4.37Å; F50-I65 HydrophobicContact CD2-CD1 4.11Å; F50-I65 HydrophobicContact CD2-CG1 3.73Å; F50-I65 HydrophobicContact CG-CG1 4.47Å; F50-I104 HydrophobicContact CE2-CD1 4.09Å; F50-F106 HydrophobicContact CB-CE1 4.01Å; F50-F106 HydrophobicContact CD1-CE1 4.17Å; F50-F106 AromaticContact CD2-CE1 3.95Å; F50-F106 HydrophobicContact CD2-CE1 3.95Å; F50-F106 AromaticContact CD2-CZ 3.86Å; F50-F106 HydrophobicContact CD2-CZ 3.86Å; F50-F106 HydrophobicContact CE2-CE1 4.49Å; F50-F106 HydrophobicContact CE2-CZ 4.02Å; F50-F106 AromaticContact CG-CE1 3.79Å; F50-F106 HydrophobicContact CG-CE1 3.79Å; F50-F106 HydrophobicContact CG-CZ 4.14Å; F50-F106 HydrophobicContact CZ-CZ 4.43Å; F50-I115 HydrophobicContact CD1-CD1 3.78Å; F50-I115 HydrophobicContact CD1-CG2 4.3Å; F50-I115 HydrophobicContact CE1-CD1 3.94Å; F50-I115 HydrophobicContact CE1-CG1 4.34Å; F50-I115 HydrophobicContact CE1-CG2 3.44Å; F50-I115 VanDerWaalsContact CE1-CG2 3.44Å; F50-I115 HydrophobicContact CE2-CG2 4.49Å; F50-I115 HydrophobicContact CZ-CG2 3.56Å
51F98.2Very high95.6Very high0 Ų046.8 Ų46.80%023%0.234CC..EExtended strand (participates in β ladder)trans-130.8133.7170.8-61.9-80.1000110.7N8 I12 I22 D24 K25 I49 F63 M64 L66N8-F51 HydrophobicContact CB-CE1 4.19Å; N8-F51 WeakPolarHBondContact OD1-CE1 3.42Å; N8-F51 WeakPolarHBondContact OD1-CZ 3.43Å; I12-F51 HydrophobicContact CD1-CB 3.84Å; I12-F51 HydrophobicContact CD1-CD1 3.93Å; I12-F51 HydrophobicContact CD1-CD2 4.11Å; I12-F51 HydrophobicContact CD1-CG 3.7Å; I12-F51 HydrophobicContact CG1-CD2 4.29Å; I12-F51 HydrophobicContact CG1-CG 4.38Å; I22-F51 HydrophobicContact CD1-CD1 4.24Å; I22-F51 HydrophobicContact CD1-CE1 4.41Å; I22-F51 HydrophobicContact CG2-CD1 4.31Å; D24-F51 WeakPolarHBondContact O-CA 3.32Å; K25-F51 HydrophobicContact CB-CD1 3.87Å; K25-F51 HydrophobicContact CB-CE1 4.05Å; I49-F51 HydrophobicContact CB-CE2 3.9Å; I49-F51 HydrophobicContact CB-CZ 4.2Å; I49-F51 HydrophobicContact CG2-CD2 4.28Å; I49-F51 HydrophobicContact CG2-CE1 4.09Å; I49-F51 HydrophobicContact CG2-CE2 3.58Å; I49-F51 HydrophobicContact CG2-CZ 3.46Å; I49-F51 VanDerWaalsContact CG2-CZ 3.46Å; F51-F63 CarbonylContact O-C 3.57Å; F51-F63 WeakPolarHBondContact O-CA 3.07Å; F51-F63 WeakPolarHBondContact O-CB 3.18Å; F51-M64 PolarHBondContact N-O 3.11Å; F51-M64 PolarHBondContact O-N 3.15Å; F51-L66 HydrophobicContact CD2-CB 4.42Å; F51-L66 HydrophobicContact CE2-CB 4.08Å; F51-L66 HydrophobicContact CE2-CD2 4.03Å
52L98.6Very high96.1Very high0 Ų045.2 Ų45.20%023%0.228CC..EExtended strand (participates in β ladder)trans-108.6127.2165.1170.957.3000108L23 D24 F50 A62 F63 V79 K118 L119 L122L23-L52 WeakPolarHBondContact CA-O 3.31Å; L23-L52 HydrophobicContact CB-CG 4.37Å; L23-L52 WeakPolarHBondContact CB-O 3.35Å; L23-L52 PolarHBondContact N-O 2.78Å; D24-L52 HydrophobicContact CB-CB 3.92Å; D24-L52 HydrophobicContact CB-CD2 4.38Å; D24-L52 PolarHBondContact N-O 2.81Å; D24-L52 PolarHBondContact O-N 2.84Å; F50-L52 HydrophobicContact CE1-CB 3.86Å; F50-L52 HydrophobicContact CZ-CB 4.39Å; L52-A62 WeakPolarHBondContact CD1-O 3.35Å; L52-F63 HydrophobicContact CD1-CB 4.38Å; L52-V79 HydrophobicContact CD1-CG2 4.45Å; L52-K118 HydrophobicContact CD2-CB 4.36Å; L52-K118 HydrophobicContact CD2-CD 3.92Å; L52-K118 HydrophobicContact CD2-CG 3.9Å; L52-L119 HydrophobicContact CD1-CD1 3.69Å; L52-L119 HydrophobicContact CD2-CB 4.4Å; L52-L119 HydrophobicContact CD2-CD1 4.23Å; L52-L122 HydrophobicContact CD1-CD1 4.03Å; L52-L122 HydrophobicContact CD2-CD1 4.07Å; L52-L122 HydrophobicContact CG-CD1 4.33Å
53Y98.6Very high96.5Very high0 Ų044.3 Ų44.30%022%0.22CC..EExtended strand (participates in β ladder)trans-143.6156-169.466-89000114.1I12 D16 C19 Q21 R55 F61 A62 M64I12-Y53 HydrophobicContact CG2-CD1 4.2Å; I12-Y53 HydrophobicContact CG2-CD2 4.34Å; I12-Y53 HydrophobicContact CG2-CE1 4.05Å; I12-Y53 HydrophobicContact CG2-CE2 4.16Å; I12-Y53 HydrophobicContact CG2-CG 4.34Å; D16-Y53 HydrophobicContact CB-CE2 4.41Å; D16-Y53 WeakPolarHBondContact CB-OH 3.27Å; D16-Y53 VanDerWaalsContact OD2-CE2 3.25Å; D16-Y53 WeakPolarHBondContact OD2-CE2 3.46Å; D16-Y53 PolarHBondContact OD2-OH 2.76Å; C19-Y53 HydrophobicContact CB-CD2 3.66Å; C19-Y53 HydrophobicContact CB-CE2 3.76Å; C19-Y53 WeakPolarHBondContact SG-CD2 3.21Å; Q21-Y53 CarbonylContact O-C 3.51Å; Q21-Y53 WeakPolarHBondContact O-CA 3.41Å; Q21-Y53 WeakPolarHBondContact O-CB 3.34Å; Y53-R55 HydrophobicContact CD2-CG 3.9Å; Y53-R55 HydrophobicContact CE2-CG 3.71Å; Y53-F61 WeakPolarHBondContact O-CA 3.4Å; Y53-A62 WeakPolarHBondContact CD1-O 3.12Å; Y53-A62 HydrophobicContact CE1-CB 3.95Å; Y53-A62 HydrophobicContact CE2-CB 4Å; Y53-A62 PolarHBondContact N-O 3.06Å; Y53-A62 PolarHBondContact O-N 2.93Å; Y53-M64 HydrophobicContact CE1-CB 3.93Å
54K98.6Very high96.8Very high86 Ų8639.3 Ų39.337%0.37420%0.198SC..EExtended strand (participates in β ladder)trans-91.1150175.9-171.5178.4179-178.10110.9C19 T20 Q21 L23 F60 F61C19-K54 WeakPolarHBondContact CA-O 3.3Å; T20-K54 PolarHBondContact N-O 3.28Å; T20-K54 PolarHBondContact OG1-O 2.78Å; Q21-K54 HydrophobicContact CB-CB 4.17Å; Q21-K54 PolarHBondContact O-N 3.44Å; L23-K54 HydrophobicContact CD1-CB 4.19Å; L23-K54 HydrophobicContact CD2-CB 4.32Å; L23-K54 HydrophobicContact CG-CB 4.29Å; K54-F60 CarbonylContact C-O 3.53Å; K54-F60 WeakPolarHBondContact CA-O 3.46Å; K54-F61 HydrophobicContact CB-CD1 4.14Å; K54-F61 HydrophobicContact CB-CE1 4.15Å; K54-F61 HydrophobicContact CD-CE1 4.33Å; K54-F61 HydrophobicContact CG-CD1 4.18Å; K54-F61 HydrophobicContact CG-CE1 3.85Å
55R98.5Very high97Very high24 Ų2437.7 Ų37.79%0.09119%0.188CC..EExtended strand (participates in β ladder)trans-127.6153.4-174.4-53.7176.773.5-127.19.2111.5D16 Y18 Y53 K57 P59 F60D16-R55 IonicContact OD1-CZ 2.99Å; D16-R55 IonicContact OD1-NE 3.44Å; D16-R55 IonicContact OD1-NH2 3.45Å; D16-R55 PolarHBondContact OD1-NH2 3.36Å; D16-R55 IonicContact OD2-CZ 2.73Å; D16-R55 IonicContact OD2-NE 3.73Å; D16-R55 PolarHBondContact OD2-NE 3.23Å; D16-R55 IonicContact OD2-NH2 3.31Å; D16-R55 PolarHBondContact OD2-NH2 2.61Å; Y18-R55 CarbonylContact O-C 3.46Å; Y18-R55 WeakPolarHBondContact O-CA 3.42Å; Y53-R55 HydrophobicContact CD2-CG 3.9Å; Y53-R55 HydrophobicContact CE2-CG 3.71Å; R55-K57 VanDerWaalsContact C-N 3.32Å; R55-P59 WeakPolarHBondContact CD-O 3.43Å; R55-P59 PolarHBondContact NH1-O 3.31Å; R55-F60 PolarHBondContact N-O 2.73Å
56S98.1Very high97.1Very high68 Ų6829.7 Ų29.748%0.47615%0.154SC..SBendtrans-81.4-3.6176.853.90000114.7Y18Y18-S56 PolarHBondContact O-N 2.81Å; Y18-S56 PolarHBondContact O-OG 3.22Å
57K96Very high97.2Very high106 Ų10629.2 Ų29.246%0.46115%0.15SC..SBendtrans-138.4156.2178-67.8-169.7179.9178.20111.3Y18 R55 P59 F60Y18-K57 HydrophobicContact CD1-CD 3.93Å; Y18-K57 HydrophobicContact CD1-CG 4.06Å; Y18-K57 HydrophobicContact CE1-CD 3.53Å; Y18-K57 VanDerWaalsContact CE1-CE 3.42Å; Y18-K57 HydrophobicContact CE1-CG 4.17Å; Y18-K57 HydrophobicContact CE2-CD 4.39Å; Y18-K57 PolarHBondContact OH-NZ 2.87Å; Y18-K57 VanDerWaalsContact OH-NZ 3.13Å; R55-K57 VanDerWaalsContact C-N 3.32Å; K57-P59 CarbonylContact O-C 3.58Å; K57-F60 VanDerWaalsContact C-CD1 3.46Å; K57-F60 WeakPolarHBondContact O-CA 3.42Å; K57-F60 PolarHBondContact O-N 3.16Å
58V95.5Very high96.9Very high113 Ų11332.7 Ų32.769%0.68516%0.161SC*.SBendtrans-59.9139.9170.4179.10000110.4F60V58-F60 HydrophobicContact CG2-CD2 4.08Å; V58-F60 HydrophobicContact CG2-CE1 4.08Å; V58-F60 HydrophobicContact CG2-CE2 3.52Å; V58-F60 HydrophobicContact CG2-CZ 3.52Å
59P96.2Very high96.6Very high28 Ų2842.1 Ų42.118%0.18220%0.202CC..SBendcis-65.8133.1-1624.4-29.8000111R55 K57 F61 L78 V79 T80R55-P59 WeakPolarHBondContact CD-O 3.43Å; R55-P59 PolarHBondContact NH1-O 3.31Å; K57-P59 CarbonylContact O-C 3.58Å; P59-F61 PolarHBondContact O-N 3.13Å; P59-F61 VanDerWaalsContact O-N 3.16Å; P59-L78 HydrophobicContact CG-CB 3.7Å; P59-L78 HydrophobicContact CG-CD1 3.8Å; P59-L78 HydrophobicContact CG-CD2 4.2Å; P59-L78 HydrophobicContact CG-CG 4.11Å; P59-V79 VanDerWaalsContact CB-O 3.31Å; P59-V79 WeakPolarHBondContact CB-O 3.47Å; P59-T80 HydrophobicContact CB-CG2 3.87Å; P59-T80 HydrophobicContact CG-CG2 4Å
60F98.1Very high96Very high107 Ų10743.6 Ų43.647%0.46921%0.212SC..  trans-73.7-3.2-167.6-68.7-61000115K54 R55 K57 V58K54-F60 CarbonylContact C-O 3.53Å; K54-F60 WeakPolarHBondContact CA-O 3.46Å; R55-F60 PolarHBondContact N-O 2.73Å; K57-F60 VanDerWaalsContact C-CD1 3.46Å; K57-F60 WeakPolarHBondContact O-CA 3.42Å; K57-F60 PolarHBondContact O-N 3.16Å; V58-F60 HydrophobicContact CG2-CD2 4.08Å; V58-F60 HydrophobicContact CG2-CE1 4.08Å; V58-F60 HydrophobicContact CG2-CE2 3.52Å; V58-F60 HydrophobicContact CG2-CZ 3.52Å
61F98.5Very high95.2Very high53 Ų5346.1 Ų46.123%0.23223%0.229CC..EExtended strand (participates in β ladder)trans-138.9148.5177.4-50.4-80.4000110L23 Y53 K54 P59 V79 L122L23-F61 HydrophobicContact CD1-CD1 3.57Å; L23-F61 HydrophobicContact CD1-CE1 3.77Å; Y53-F61 WeakPolarHBondContact O-CA 3.4Å; K54-F61 HydrophobicContact CB-CD1 4.14Å; K54-F61 HydrophobicContact CB-CE1 4.15Å; K54-F61 HydrophobicContact CD-CE1 4.33Å; K54-F61 HydrophobicContact CG-CD1 4.18Å; K54-F61 HydrophobicContact CG-CE1 3.85Å; P59-F61 PolarHBondContact O-N 3.13Å; P59-F61 VanDerWaalsContact O-N 3.16Å; F61-V79 HydrophobicContact CB-CB 3.92Å; F61-V79 HydrophobicContact CB-CG2 3.97Å; F61-V79 WeakPolarHBondContact O-CB 3.31Å; F61-V79 PolarHBondContact O-N 3.34Å; F61-L122 HydrophobicContact CB-CD1 4.27Å; F61-L122 HydrophobicContact CD1-CD1 4.07Å; F61-L122 HydrophobicContact CD1-CD2 4.08Å; F61-L122 HydrophobicContact CD2-CD2 3.96Å; F61-L122 HydrophobicContact CE1-CD2 3.88Å; F61-L122 HydrophobicContact CE2-CD2 3.76Å; F61-L122 HydrophobicContact CG-CD1 4.07Å; F61-L122 HydrophobicContact CG-CD2 4.11Å; F61-L122 HydrophobicContact CZ-CD2 3.72Å
62A98.4Very high94.7Very high0 Ų051.9 Ų51.90%026%0.264CS..EExtended strand (participates in β ladder)trans-148.6162.4173.700000109.5L52 Y53 E77 L78L52-A62 WeakPolarHBondContact CD1-O 3.35Å; Y53-A62 WeakPolarHBondContact CD1-O 3.12Å; Y53-A62 HydrophobicContact CE1-CB 3.95Å; Y53-A62 HydrophobicContact CE2-CB 4Å; Y53-A62 PolarHBondContact N-O 3.06Å; Y53-A62 PolarHBondContact O-N 2.93Å; A62-E77 VanDerWaalsContact CA-O 3.26Å; A62-E77 WeakPolarHBondContact CA-O 3.35Å; A62-E77 VanDerWaalsContact CB-O 3.28Å; A62-E77 WeakPolarHBondContact CB-O 3.42Å; A62-L78 HydrophobicContact CB-CD2 3.85Å
63F98.4Very high94.4Very high3 Ų355.2 Ų55.21%0.01328%0.281CS..EExtended strand (participates in β ladder)trans-120.1150164.265.8-94.8000111.3F50 F51 L52 I76 E77 L83 Y94 I104 L119F50-F63 HydrophobicContact CD2-CD2 4.45Å; F50-F63 HydrophobicContact CE1-CB 4.41Å; F50-F63 HydrophobicContact CE2-CB 3.88Å; F50-F63 AromaticContact CE2-CD2 3.59Å; F50-F63 HydrophobicContact CE2-CD2 3.59Å; F50-F63 HydrophobicContact CE2-CE2 4.31Å; F50-F63 AromaticContact CE2-CG 3.91Å; F50-F63 HydrophobicContact CE2-CG 3.91Å; F50-F63 HydrophobicContact CZ-CB 3.61Å; F50-F63 HydrophobicContact CZ-CD2 4.16Å; F50-F63 AromaticContact CZ-CG 3.99Å; F50-F63 HydrophobicContact CZ-CG 3.99Å; F51-F63 CarbonylContact O-C 3.57Å; F51-F63 WeakPolarHBondContact O-CA 3.07Å; F51-F63 WeakPolarHBondContact O-CB 3.18Å; L52-F63 HydrophobicContact CD1-CB 4.38Å; F63-I76 WeakPolarHBondContact O-CA 3.25Å; F63-E77 HydrophobicContact CD1-CB 4.13Å; F63-E77 HydrophobicContact CD2-CB 4.17Å; F63-E77 HydrophobicContact CE1-CB 3.65Å; F63-E77 HydrophobicContact CE1-CG 3.74Å; F63-E77 HydrophobicContact CE2-CB 3.68Å; F63-E77 HydrophobicContact CE2-CG 4.39Å; F63-E77 HydrophobicContact CG-CB 4.39Å; F63-E77 HydrophobicContact CZ-CB 3.41Å; F63-E77 VanDerWaalsContact CZ-CB 3.41Å; F63-E77 HydrophobicContact CZ-CG 3.64Å; F63-E77 PolarHBondContact N-O 2.79Å; F63-E77 PolarHBondContact O-N 2.89Å; F63-L83 HydrophobicContact CE1-CD2 4.24Å; F63-Y94 HydrophobicContact CE2-CE1 4.21Å; F63-Y94 HydrophobicContact CZ-CD1 4.21Å; F63-Y94 HydrophobicContact CZ-CD2 4.48Å; F63-Y94 AromaticContact CZ-CE1 3.87Å; F63-Y94 HydrophobicContact CZ-CE1 3.87Å; F63-Y94 HydrophobicContact CZ-CE2 4.16Å; F63-Y94 HydrophobicContact CZ-CG 4.49Å; F63-Y94 AromaticContact CZ-CZ 3.83Å; F63-I104 HydrophobicContact CD2-CD1 4.42Å; F63-I104 HydrophobicContact CE2-CD1 3.72Å; F63-I104 HydrophobicContact CZ-CD1 4.15Å; F63-L119 HydrophobicContact CD1-CD1 3.92Å; F63-L119 HydrophobicContact CD1-CD2 4.15Å; F63-L119 HydrophobicContact CE1-CD1 4.49Å; F63-L119 HydrophobicContact CE1-CD2 4.06Å
64M97.8Very high94.1Very high0 Ų056.7 Ų56.70%029%0.289CS..EExtended strand (participates in β ladder)trans-127.1141.4178.2176.5-173.6-65.200109.3I12 Y15 F50 F51 Y53 L66 Q75 I76I12-M64 HydrophobicContact CB-CE 4.45Å; I12-M64 HydrophobicContact CG1-SD 4.33Å; I12-M64 HydrophobicContact CG2-CE 3.85Å; Y15-M64 HydrophobicContact CD2-CE 4.06Å; Y15-M64 HydrophobicContact CD2-SD 4.33Å; Y15-M64 HydrophobicContact CG-CE 4.23Å; F50-M64 CarbonylContact C-O 3.58Å; F50-M64 WeakPolarHBondContact CA-O 3.18Å; F51-M64 PolarHBondContact N-O 3.11Å; F51-M64 PolarHBondContact O-N 3.15Å; Y53-M64 HydrophobicContact CE1-CB 3.93Å; M64-L66 HydrophobicContact SD-CB 4.36Å; M64-Q75 CarbonylContact C-O 3.11Å; M64-Q75 VanDerWaalsContact CA-O 3.24Å; M64-Q75 WeakPolarHBondContact CA-O 3.15Å; M64-I76 HydrophobicContact CB-CG1 4.37Å; M64-I76 HydrophobicContact CE-CD1 3.74Å; M64-I76 HydrophobicContact CE-CG1 3.91Å; M64-I76 HydrophobicContact CG-CG1 4.11Å
65I98Very high94Very high1 Ų154 Ų541%0.00528%0.278CS..EExtended strand (participates in β ladder)trans-111.7104.7161-64.4168.3000107.1A29 V31 T46 I49 F50 N67 N74 Q75 I104A29-I65 HydrophobicContact CB-CD1 4.3Å; A29-I65 HydrophobicContact CB-CG1 4.5Å; V31-I65 HydrophobicContact CG2-CD1 3.3Å; T46-I65 HydrophobicContact CG2-CB 4.06Å; T46-I65 HydrophobicContact CG2-CG2 3.8Å; I49-I65 CarbonylContact O-C 3.48Å; I49-I65 WeakPolarHBondContact O-CA 3.28Å; F50-I65 HydrophobicContact CB-CG1 4.37Å; F50-I65 HydrophobicContact CD2-CD1 4.11Å; F50-I65 HydrophobicContact CD2-CG1 3.73Å; F50-I65 HydrophobicContact CG-CG1 4.47Å; I65-N67 PolarHBondContact O-N 3.19Å; I65-N74 WeakPolarHBondContact O-CA 3.45Å; I65-Q75 PolarHBondContact N-O 3.24Å; I65-Q75 PolarHBondContact O-N 3.05Å; I65-Q75 VanDerWaalsContact O-N 3.17Å; I65-I104 HydrophobicContact CD1-CD1 4.2Å; I65-I104 HydrophobicContact CD1-CG1 4.28Å; I65-I104 HydrophobicContact CD1-CG2 3.91Å
66L96Very high93.9Very high7 Ų756.1 Ų56.14%0.03729%0.291CS..EExtended strand (participates in β ladder)trans-77.1111.7178.7177.261.9000108.5V11 Y15 G48 I49 F51 M64 R68 N74V11-L66 HydrophobicContact CG1-CD1 4.48Å; V11-L66 HydrophobicContact CG1-CD2 3.75Å; Y15-L66 HydrophobicContact CE2-CD1 4.03Å; G48-L66 CarbonylContact C-O 3.56Å; G48-L66 WeakPolarHBondContact CA-O 3.27Å; I49-L66 PolarHBondContact N-O 3.22Å; I49-L66 PolarHBondContact O-N 3.4Å; F51-L66 HydrophobicContact CD2-CB 4.42Å; F51-L66 HydrophobicContact CE2-CB 4.08Å; F51-L66 HydrophobicContact CE2-CD2 4.03Å; M64-L66 HydrophobicContact SD-CB 4.36Å; L66-R68 PolarHBondContact O-N 2.85Å; L66-N74 WeakPolarHBondContact CD1-ND2 3.41Å
67N95.8Very high93.9Very high8 Ų854.6 Ų54.64%0.04328%0.276CS..EExtended strand (participates in β ladder)trans-81.1114.1-168.4-175.7-31.3000111.4K45 G47 I65 K69 S70 L73 N74K45-N67 PolarHBondContact O-ND2 3.02Å; G47-N67 WeakPolarHBondContact O-CA 3.49Å; I65-N67 PolarHBondContact O-N 3.19Å; N67-K69 PolarHBondContact O-N 3.33Å; N67-K69 VanDerWaalsContact O-N 3.13Å; N67-K69 PolarHBondContact OD1-N 3.42Å; N67-S70 WeakPolarHBondContact CB-O 3.39Å; N67-S70 PolarHBondContact O-N 3.38Å; N67-S70 PolarHBondContact OD1-N 2.83Å; N67-L73 WeakPolarHBondContact CB-O 3.49Å; N67-L73 VanDerWaalsContact ND2-CB 3.31Å; N67-L73 WeakPolarHBondContact ND2-CB 3.32Å; N67-L73 PolarHBondContact ND2-O 2.93Å; N67-N74 WeakPolarHBondContact CB-OD1 3.37Å; N67-N74 PolarHBondContact N-OD1 3.47Å
68R87Confident93.9Very high81 Ų8152.5 Ų52.531%0.30627%0.269SS..THydrogen-bonded Turntrans-62.2-22.5-176.4-65.4173.1-171.7-170.5-2.8114P27 G47 L66 V285 E289P27-R68 PolarHBondContact O-NH2 2.92Å; G47-R68 PolarHBondContact O-N 3.14Å; G47-R68 VanDerWaalsContact O-N 3.13Å; L66-R68 PolarHBondContact O-N 2.85Å; R68-V285 HydrophobicContact CG-CG1 4.07Å; R68-E289 IonicContact CZ-OE1 3.66Å; R68-E289 IonicContact CZ-OE2 2.99Å; R68-E289 IonicContact NE-OE2 2.78Å; R68-E289 PolarHBondContact NE-OE2 3.42Å; R68-E289 IonicContact NH1-OE1 3.82Å; R68-E289 PolarHBondContact NH1-OE1 3.47Å; R68-E289 IonicContact NH1-OE2 2.65Å; R68-E289 PolarHBondContact NH1-OE2 3.01Å; R68-E289 IonicContact NH2-OE1 4Å; R68-E289 PolarHBondContact NH2-OE1 2.84Å; R68-E289 IonicContact NH2-OE2 2.76Å; R68-E289 PolarHBondContact NH2-OE2 2.92Å
69K86.8Confident94.1Very high199 Ų19947.3 Ų47.387%0.86524%0.238SC*.THydrogen-bonded Turntrans-101.2-19.8-174.9-62.6-171.9-179.8-174.90113.6N67N67-K69 PolarHBondContact O-N 3.33Å; N67-K69 VanDerWaalsContact O-N 3.13Å; N67-K69 PolarHBondContact OD1-N 3.42Å
70S84.4Confident94.1Very high31 Ų3147.9 Ų47.922%0.21724%0.241CC..  trans-163.6111.4-178.3-166.60000111.8N67 T72 L73N67-S70 WeakPolarHBondContact CB-O 3.39Å; N67-S70 PolarHBondContact O-N 3.38Å; N67-S70 PolarHBondContact OD1-N 2.83Å; S70-T72 PolarHBondContact O-N 3.16Å; S70-T72 VanDerWaalsContact O-N 3.09Å; S70-T72 PolarHBondContact OG-OG1 2.93Å; S70-L73 PolarHBondContact O-N 3.12Å
71P82.2Confident94Very high53 Ų5345.1 Ų45.134%0.34424%0.238SC..G310 helixtrans-65-14.8-178.326.9-35.9000113.8Y15 L73 N74 F238Y15-P71 VanDerWaalsContact OH-CB 3.23Å; Y15-P71 WeakPolarHBondContact OH-CB 3.4Å; P71-L73 VanDerWaalsContact C-N 3.33Å; P71-N74 PolarHBondContact O-ND2 3.45Å; P71-F238 HydrophobicContact CG-CE2 4.07Å
72T86.8Confident93.9Very high121 Ų12145.5 Ų45.574%0.74225%0.247SC*.G310 helixtrans-85.1-6.2174.657.40000113.4S70S70-T72 PolarHBondContact O-N 3.16Å; S70-T72 VanDerWaalsContact O-N 3.09Å; S70-T72 PolarHBondContact OG-OG1 2.93Å
73L91.8Very high93.8Very high70 Ų7045.6 Ų45.637%0.36625%0.247SC..G310 helixtrans-114.829.2178.5-59.2179.4000111.6K45 T46 N67 S70 P71K45-L73 HydrophobicContact CB-CD1 3.87Å; K45-L73 HydrophobicContact CD-CD1 4.01Å; T46-L73 PolarHBondContact OG1-O 3.49Å; N67-L73 WeakPolarHBondContact CB-O 3.49Å; N67-L73 VanDerWaalsContact ND2-CB 3.31Å; N67-L73 WeakPolarHBondContact ND2-CB 3.32Å; N67-L73 PolarHBondContact ND2-O 2.93Å; S70-L73 PolarHBondContact O-N 3.12Å; P71-L73 VanDerWaalsContact C-N 3.33Å
74N94.1Very high93.7Very high31 Ų3148.2 Ų48.217%0.16626%0.26CS..  trans-67.4148.7166.6-67-10.1000110Y15 I65 L66 N67 P71Y15-N74 WeakPolarHBondContact CE1-ND2 3.46Å; Y15-N74 WeakPolarHBondContact CE2-ND2 3.5Å; Y15-N74 PolarHBondContact OH-ND2 2.92Å; I65-N74 WeakPolarHBondContact O-CA 3.45Å; L66-N74 WeakPolarHBondContact CD1-ND2 3.41Å; N67-N74 WeakPolarHBondContact CB-OD1 3.37Å; N67-N74 PolarHBondContact N-OD1 3.47Å; P71-N74 PolarHBondContact O-ND2 3.45Å
75Q95.3Very high93.7Very high31 Ų3148.5 Ų48.515%0.14526%0.261CS..EExtended strand (participates in β ladder)trans-113.1135.2169.3-171.8158.7600109.4T46 M64 I65 Y94T46-Q75 HydrophobicContact CG2-CB 3.75Å; M64-Q75 CarbonylContact C-O 3.11Å; M64-Q75 VanDerWaalsContact CA-O 3.24Å; M64-Q75 WeakPolarHBondContact CA-O 3.15Å; I65-Q75 PolarHBondContact N-O 3.24Å; I65-Q75 PolarHBondContact O-N 3.05Å; I65-Q75 VanDerWaalsContact O-N 3.17Å; Q75-Y94 PolarHBondContact NE2-OH 3.18Å
76I96.9Very high93.6Very high68 Ų6850 Ų5035%0.34927%0.269SS..EExtended strand (participates in β ladder)trans-130.3127.7176-53.9173.2000106.6F63 M64F63-I76 WeakPolarHBondContact O-CA 3.25Å; M64-I76 HydrophobicContact CB-CG1 4.37Å; M64-I76 HydrophobicContact CE-CD1 3.74Å; M64-I76 HydrophobicContact CE-CG1 3.91Å; M64-I76 HydrophobicContact CG-CG1 4.11Å
77E97.4Very high93.6Very high35 Ų3550.5 Ų50.516%0.16427%0.271CS..EExtended strand (participates in β ladder)trans-127.3140.6-179.5-171.860.1-98.900110.1A62 F63 L83 Y94 T96A62-E77 VanDerWaalsContact CA-O 3.26Å; A62-E77 WeakPolarHBondContact CA-O 3.35Å; A62-E77 VanDerWaalsContact CB-O 3.28Å; A62-E77 WeakPolarHBondContact CB-O 3.42Å; F63-E77 HydrophobicContact CD1-CB 4.13Å; F63-E77 HydrophobicContact CD2-CB 4.17Å; F63-E77 HydrophobicContact CE1-CB 3.65Å; F63-E77 HydrophobicContact CE1-CG 3.74Å; F63-E77 HydrophobicContact CE2-CB 3.68Å; F63-E77 HydrophobicContact CE2-CG 4.39Å; F63-E77 HydrophobicContact CG-CB 4.39Å; F63-E77 HydrophobicContact CZ-CB 3.41Å; F63-E77 VanDerWaalsContact CZ-CB 3.41Å; F63-E77 HydrophobicContact CZ-CG 3.64Å; F63-E77 PolarHBondContact N-O 2.79Å; F63-E77 PolarHBondContact O-N 2.89Å; E77-L83 HydrophobicContact CG-CD1 4.29Å; E77-Y94 HydrophobicContact CG-CD2 4.49Å; E77-Y94 HydrophobicContact CG-CE2 3.85Å; E77-T96 WeakPolarHBondContact OE2-CG2 3.28Å
78L97.4Very high93.3Very high62 Ų6252.8 Ų52.833%0.32528%0.281SS..EExtended strand (participates in β ladder)trans-99.1123.4-172.1-63.1-176.9000111.1P59 A62 T80P59-L78 HydrophobicContact CG-CB 3.7Å; P59-L78 HydrophobicContact CG-CD1 3.8Å; P59-L78 HydrophobicContact CG-CD2 4.2Å; P59-L78 HydrophobicContact CG-CG 4.11Å; A62-L78 HydrophobicContact CB-CD2 3.85Å; L78-T80 HydrophobicContact CB-CG2 4.38Å; L78-T80 PolarHBondContact O-N 2.98Å; L78-T80 VanDerWaalsContact O-N 3.17Å; L78-T80 PolarHBondContact O-OG1 3.18Å
79V97.9Very high93.5Very high4 Ų451 Ų512%0.02428%0.281CS..  trans-73.1113.6179.3-173.10000109L52 P59 F61 L119 L122 V123L52-V79 HydrophobicContact CD1-CG2 4.45Å; P59-V79 VanDerWaalsContact CB-O 3.31Å; P59-V79 WeakPolarHBondContact CB-O 3.47Å; F61-V79 HydrophobicContact CB-CB 3.92Å; F61-V79 HydrophobicContact CB-CG2 3.97Å; F61-V79 WeakPolarHBondContact O-CB 3.31Å; F61-V79 PolarHBondContact O-N 3.34Å; V79-L119 HydrophobicContact CG2-CD1 3.62Å; V79-L122 HydrophobicContact CG1-CB 4.03Å; V79-V123 HydrophobicContact CG1-CG2 3.71Å
80T96.5Very high93.8Very high41 Ų4143.5 Ų43.525%0.25225%0.252SS..  trans-141.8160-172.450.60000109.8P59 L78 S82 L83P59-T80 HydrophobicContact CB-CG2 3.87Å; P59-T80 HydrophobicContact CG-CG2 4Å; L78-T80 HydrophobicContact CB-CG2 4.38Å; L78-T80 PolarHBondContact O-N 2.98Å; L78-T80 VanDerWaalsContact O-N 3.17Å; L78-T80 PolarHBondContact O-OG1 3.18Å; T80-S82 PolarHBondContact O-N 3.24Å; T80-S82 VanDerWaalsContact O-N 3.11Å; T80-L83 WeakPolarHBondContact O-CB 3.26Å; T80-L83 PolarHBondContact O-N 2.87Å
81A96.8Very high94.4Very high49 Ų4942.4 Ų42.441%0.40524%0.243SC..THydrogen-bonded Turntrans-57.1-26.9179.300000114A126 G128A81-A126 WeakPolarHBondContact CB-O 3.49Å; A81-G128 WeakPolarHBondContact O-CA 3.38Å
82S95.5Very high95.1Very high60 Ų6039.9 Ų39.942%0.4223%0.227SC..THydrogen-bonded Turntrans-88.2-6.5179.6460000114.4T80 Q84T80-S82 PolarHBondContact O-N 3.24Å; T80-S82 VanDerWaalsContact O-N 3.11Å; S82-Q84 PolarHBondContact O-N 2.85Å
83L96.8Very high95.6Very high2 Ų234.9 Ų34.91%0.0120%0.196CC..  trans-70.8117.6171-177.866.5000109.1F63 E77 T80 L85 Y94 V123F63-L83 HydrophobicContact CE1-CD2 4.24Å; E77-L83 HydrophobicContact CG-CD1 4.29Å; T80-L83 WeakPolarHBondContact O-CB 3.26Å; T80-L83 PolarHBondContact O-N 2.87Å; L83-L85 HydrophobicContact CD2-CD2 4.13Å; L83-L85 HydrophobicContact CG-CD2 4.03Å; L83-L85 HydrophobicContact CG-CG 4.45Å; L83-Y94 HydrophobicContact CD1-CD2 3.73Å; L83-Y94 HydrophobicContact CD1-CG 4.38Å; L83-V123 HydrophobicContact CB-CG2 4.24Å; L83-V123 HydrophobicContact CD2-CG2 3.95Å; L83-V123 HydrophobicContact CG-CG2 4.32Å; L83-V123 VanDerWaalsContact O-CG1 3.3Å; L83-V123 WeakPolarHBondContact O-CG1 3.47Å
84Q97Very high95.8Very high58 Ų5831.7 Ų31.727%0.27118%0.179SC..EExtended strand (participates in β ladder)trans-101.3133.3178.2-55-179.22.600109.5S82 Y94 K95S82-Q84 PolarHBondContact O-N 2.85Å; Q84-Y94 CarbonylContact O-C 3.55Å; Q84-Y94 WeakPolarHBondContact O-CA 3.25Å; Q84-Y94 WeakPolarHBondContact O-CB 3.48Å; Q84-K95 HydrophobicContact CB-CB 4.28Å; Q84-K95 PolarHBondContact N-O 2.95Å; Q84-K95 VanDerWaalsContact N-O 3.14Å; Q84-K95 PolarHBondContact O-N 3.49Å
85L97.1Very high96Very high6 Ų631.9 Ų31.93%0.03118%0.178CC..EExtended strand (participates in β ladder)trans-122.4138.7-174.4-59.2174.1000111.7L83 L119 V123 L131 K132L83-L85 HydrophobicContact CD2-CD2 4.13Å; L83-L85 HydrophobicContact CG-CD2 4.03Å; L83-L85 HydrophobicContact CG-CG 4.45Å; L85-L119 HydrophobicContact CD1-CB 4.23Å; L85-L119 HydrophobicContact CD1-CD2 3.84Å; L85-L119 HydrophobicContact CD1-CG 3.77Å; L85-L119 HydrophobicContact CD2-CD2 3.75Å; L85-L119 HydrophobicContact CG-CD2 4.47Å; L85-V123 HydrophobicContact CD1-CB 4.25Å; L85-V123 HydrophobicContact CD1-CG2 3.64Å; L85-V123 HydrophobicContact CG-CG2 4.26Å; L85-L131 HydrophobicContact CB-CD1 3.78Å; L85-K132 PolarHBondContact O-N 2.76Å
86Q95.6Very high95.9Very high34 Ų3431 Ų3116%0.15918%0.175CC..EExtended strand (participates in β ladder)trans-137.7121.4171-176.6175.3-4.500111.8L93 K132Q86-L93 HydrophobicContact CB-CB 4.33Å; Q86-L93 PolarHBondContact N-O 3.3Å; Q86-L93 PolarHBondContact O-N 3.41Å; Q86-K132 CarbonylContact C-O 3.13Å; Q86-K132 VanDerWaalsContact CA-O 3.25Å; Q86-K132 WeakPolarHBondContact CA-O 3.42Å; Q86-K132 HydrophobicContact CB-CB 4.47Å; Q86-K132 HydrophobicContact CG-CB 4.44Å
87L96.1Very high95.6Very high17 Ų1732 Ų329%0.08919%0.188CC..EExtended strand (participates in β ladder)trans-84.4128174.3176.862.6000110.7C89 C112 E113 A116 L131 K132 A134L87-C89 HydrophobicContact CD1-CB 4.17Å; L87-C112 VanDerWaalsContact CD1-SG 3.57Å; L87-E113 HydrophobicContact CD2-CG 4.18Å; L87-A116 HydrophobicContact CB-CB 4.26Å; L87-A116 HydrophobicContact CD1-CB 3.92Å; L87-A116 HydrophobicContact CD2-CB 4.21Å; L87-A116 HydrophobicContact CG-CB 4.36Å; L87-L131 HydrophobicContact CB-CD1 3.99Å; L87-L131 HydrophobicContact CB-CD2 4.07Å; L87-L131 HydrophobicContact CB-CG 4.3Å; L87-L131 HydrophobicContact CD2-CD2 4.28Å; L87-K132 PolarHBondContact N-O 3.13Å; L87-A134 WeakPolarHBondContact O-CB 3.31Å; L87-A134 PolarHBondContact O-N 3.41Å
88H90.5Very high95.3Very high56 Ų5637.9 Ų37.926%0.25921%0.213SC..EExtended strand (participates in β ladder)trans-139.871.8162.7-171.3-63.6000108.6F91 L93 A134 F206H88-F91 CarbonylContact C-O 3.54Å; H88-F91 WeakPolarHBondContact CA-O 3.3Å; H88-F91 PolarHBondContact N-O 2.81Å; H88-F91 WeakPolarHBondContact O-CA 3.49Å; H88-F91 WeakPolarHBondContact O-CB 3.48Å; H88-F91 PolarHBondContact O-N 3.46Å; H88-F91 VanDerWaalsContact O-O 3.1Å; H88-L93 HydrophobicContact CB-CD1 4.45Å; H88-A134 HydrophobicContact CB-CB 4.23Å; H88-F206 AromaticContact CD2-CE1 3.68Å; H88-F206 AromaticContact CE1-CE1 3.65Å; H88-F206 AromaticContact NE2-CE1 3.31Å; H88-F206 VanDerWaalsContact NE2-CE1 3.31Å; H88-F206 WeakPolarHBondContact NE2-CE1 3.41Å; H88-F206 AromaticContact NE2-CZ 3.92Å
89C90.9Very high95Very high43 Ų4336.5 Ų36.529%0.29121%0.214SC..THydrogen-bonded Turntrans-40.2129.9-177.7-174.20000112.1L87 F91 G109 E113L87-C89 HydrophobicContact CD1-CB 4.17Å; C89-F91 VanDerWaalsContact C-N 3.35Å; C89-G109 VanDerWaalsContact SG-CA 3.59Å; C89-G109 PolarHBondContact SG-O 2.97Å; C89-E113 HydrophobicContact CB-CG 4.1Å; C89-E113 PolarHBondContact SG-OE1 2.71Å
90P93.6Very high94.8Very high41 Ų4140.1 Ų40.127%0.26623%0.233SC..THydrogen-bonded Turncis-85.717.97.336.6-38.2000115.4F106P90-F106 PolarHBondContact O-N 3.39Å
91F95.5Very high94.8Very high8 Ų839.6 Ų39.64%0.03523%0.228CC..EExtended strand (participates in β ladder)trans-107.2135.3179.1-57.5-93.1000112.6H88 C89 L93 S103 I104 W105 C112 L209H88-F91 CarbonylContact C-O 3.54Å; H88-F91 WeakPolarHBondContact CA-O 3.3Å; H88-F91 PolarHBondContact N-O 2.81Å; H88-F91 WeakPolarHBondContact O-CA 3.49Å; H88-F91 WeakPolarHBondContact O-CB 3.48Å; H88-F91 PolarHBondContact O-N 3.46Å; H88-F91 VanDerWaalsContact O-O 3.1Å; C89-F91 VanDerWaalsContact C-N 3.35Å; F91-L93 HydrophobicContact CB-CD1 3.94Å; F91-S103 WeakPolarHBondContact CD1-OG 3.32Å; F91-I104 CarbonylContact C-O 3.53Å; F91-I104 WeakPolarHBondContact CA-O 3.2Å; F91-W105 HydrophobicContact CD1-CB 3.74Å; F91-W105 AromaticContact CD1-CD1 3.9Å; F91-W105 HydrophobicContact CD1-CG 4.25Å; F91-W105 HydrophobicContact CE1-CB 3.67Å; F91-W105 AromaticContact CE1-CD1 3.46Å; F91-W105 VanDerWaalsContact CE1-CD1 3.46Å; F91-W105 AromaticContact CE1-CG 3.9Å; F91-W105 HydrophobicContact CE1-CG 3.9Å; F91-W105 AromaticContact CZ-CD1 3.51Å; F91-W105 HydrophobicContact CZ-CG 4.35Å; F91-C112 VanDerWaalsContact C-SG 3.56Å; F91-L209 HydrophobicContact CD1-CD2 4.07Å; F91-L209 HydrophobicContact CD2-CD1 4.43Å; F91-L209 HydrophobicContact CE1-CB 4.24Å; F91-L209 HydrophobicContact CE1-CD2 3.79Å; F91-L209 HydrophobicContact CE1-CG 4.44Å; F91-L209 HydrophobicContact CE2-CB 4.11Å; F91-L209 HydrophobicContact CG-CD1 4.47Å; F91-L209 HydrophobicContact CZ-CB 3.79Å; F91-L209 HydrophobicContact CZ-CD2 4.25Å; F91-L209 HydrophobicContact CZ-CG 4.44Å
92L96.9Very high94.8Very high0 Ų038.8 Ų38.80%022%0.216CC..EExtended strand (participates in β ladder)trans-108108165.6177.955.4000109I104 F106 A116 L119 L131L92-I104 PolarHBondContact N-O 3.31Å; L92-I104 PolarHBondContact O-N 3.2Å; L92-F106 HydrophobicContact CB-CE2 3.99Å; L92-F106 HydrophobicContact CD2-CE2 4.45Å; L92-A116 HydrophobicContact CD1-CB 3.84Å; L92-A116 HydrophobicContact CD2-CB 4.16Å; L92-L119 HydrophobicContact CD2-CD2 4.03Å; L92-L131 HydrophobicContact CD1-CD1 4.07Å
93L97.3Very high94.9Very high16 Ų1636 Ų368%0.08420%0.196CC..EExtended strand (participates in β ladder)trans-84.3142.3175.2-74.471.5000109.5W41 Q86 H88 F91 F102W41-L93 HydrophobicContact CZ2-CD2 4.28Å; Q86-L93 HydrophobicContact CB-CB 4.33Å; Q86-L93 PolarHBondContact N-O 3.3Å; Q86-L93 PolarHBondContact O-N 3.41Å; H88-L93 HydrophobicContact CB-CD1 4.45Å; F91-L93 HydrophobicContact CB-CD1 3.94Å; L93-F102 WeakPolarHBondContact CA-O 3.37Å
94Y97.6Very high94.9Very high4 Ų435.9 Ų35.92%0.01620%0.195CC..EExtended strand (participates in β ladder)trans-143.3151.3171.473-88.3000113F63 Q75 E77 L83 Q84 T96 F102 I104F63-Y94 HydrophobicContact CE2-CE1 4.21Å; F63-Y94 HydrophobicContact CZ-CD1 4.21Å; F63-Y94 HydrophobicContact CZ-CD2 4.48Å; F63-Y94 AromaticContact CZ-CE1 3.87Å; F63-Y94 HydrophobicContact CZ-CE1 3.87Å; F63-Y94 HydrophobicContact CZ-CE2 4.16Å; F63-Y94 HydrophobicContact CZ-CG 4.49Å; F63-Y94 AromaticContact CZ-CZ 3.83Å; Q75-Y94 PolarHBondContact NE2-OH 3.18Å; E77-Y94 HydrophobicContact CG-CD2 4.49Å; E77-Y94 HydrophobicContact CG-CE2 3.85Å; L83-Y94 HydrophobicContact CD1-CD2 3.73Å; L83-Y94 HydrophobicContact CD1-CG 4.38Å; Q84-Y94 CarbonylContact O-C 3.55Å; Q84-Y94 WeakPolarHBondContact O-CA 3.25Å; Q84-Y94 WeakPolarHBondContact O-CB 3.48Å; Y94-T96 HydrophobicContact CD2-CG2 4.31Å; Y94-T96 HydrophobicContact CE2-CG2 3.94Å; Y94-F102 HydrophobicContact CD1-CB 3.83Å; Y94-F102 HydrophobicContact CD2-CB 4.38Å; Y94-F102 HydrophobicContact CD2-CD2 4.32Å; Y94-F102 HydrophobicContact CE1-CB 3.39Å; Y94-F102 HydrophobicContact CE1-CD2 4.46Å; Y94-F102 HydrophobicContact CE1-CG 4.15Å; Y94-F102 HydrophobicContact CE2-CB 4.01Å; Y94-F102 AromaticContact CE2-CD2 3.6Å; Y94-F102 HydrophobicContact CE2-CD2 3.6Å; Y94-F102 HydrophobicContact CE2-CE2 4.43Å; Y94-F102 HydrophobicContact CE2-CG 4.12Å; Y94-F102 HydrophobicContact CG-CB 4.31Å; Y94-F102 AromaticContact CZ-CD2 3.7Å; Y94-F102 AromaticContact CZ-CG 3.75Å; Y94-F102 PolarHBondContact N-O 3.29Å; Y94-F102 PolarHBondContact O-N 3.19Å; Y94-I104 HydrophobicContact CD1-CD1 4.07Å; Y94-I104 HydrophobicContact CD1-CG1 4.13Å; Y94-I104 HydrophobicContact CE1-CD1 3.77Å; Y94-I104 HydrophobicContact CE1-CG1 3.77Å
95K96.6Very high94.9Very high35 Ų3534 Ų3415%0.15219%0.186CC..EExtended strand (participates in β ladder)trans-117.9128.6172.9-176175178.4176.20109.7Q84 G99 D100 I101 S178Q84-K95 HydrophobicContact CB-CB 4.28Å; Q84-K95 PolarHBondContact N-O 2.95Å; Q84-K95 VanDerWaalsContact N-O 3.14Å; Q84-K95 PolarHBondContact O-N 3.49Å; K95-G99 WeakPolarHBondContact CE-O 3.23Å; K95-D100 CarbonylContact C-O 3.57Å; K95-D100 VanDerWaalsContact CA-O 3.28Å; K95-D100 WeakPolarHBondContact CA-O 3.44Å; K95-I101 HydrophobicContact CB-CG1 4.17Å; K95-I101 HydrophobicContact CD-CD1 4.37Å; K95-I101 HydrophobicContact CD-CG1 4.05Å; K95-I101 HydrophobicContact CG-CG1 3.88Å; K95-S178 PolarHBondContact NZ-OG 3.47Å
96T94.6Very high94.8Very high13 Ų1333.7 Ų33.78%0.0818%0.184CC..  trans-77.3166.3179.874.10000111.5E77 Y94 K98 G99 D100 F102E77-T96 WeakPolarHBondContact OE2-CG2 3.28Å; Y94-T96 HydrophobicContact CD2-CG2 4.31Å; Y94-T96 HydrophobicContact CE2-CG2 3.94Å; T96-K98 PolarHBondContact O-N 3.27Å; T96-K98 PolarHBondContact OG1-N 3.39Å; T96-G99 PolarHBondContact O-N 2.93Å; T96-G99 PolarHBondContact OG1-N 3.01Å; T96-D100 HydrophobicContact CG2-CB 4.07Å; T96-D100 PolarHBondContact N-O 3.23Å; T96-D100 WeakPolarHBondContact OG1-CB 3.47Å; T96-D100 PolarHBondContact OG1-N 3.21Å; T96-D100 PolarHBondContact OG1-OD2 2.87Å; T96-D100 VanDerWaalsContact OG1-OD2 3.12Å; T96-F102 HydrophobicContact CG2-CD2 3.96Å; T96-F102 HydrophobicContact CG2-CE2 3.77Å
97S90Very high94.7Very high88 Ų8839 Ų3962%0.61521%0.207SC*.THydrogen-bonded Turntrans-63.1-17.8171.359.50000114.1G99S97-G99 VanDerWaalsContact C-N 3.35Å
98K91.7Very high94.6Very high159 Ų15939.4 Ų39.469%0.69121%0.212SC*.THydrogen-bonded Turntrans-84.4-9.9173-64.8-172.5175.8-168.90113.2T96 D100 D493T96-K98 PolarHBondContact O-N 3.27Å; T96-K98 PolarHBondContact OG1-N 3.39Å; K98-D100 WeakPolarHBondContact CB-OD2 3.15Å; K98-D493 IonicContact NZ-OD2 2.92Å
99G90.8Very high94.7Very high33 Ų3338 Ų3834%0.3421%0.212SC..SBendtrans95.4-7.1-178.100000114.9K95 T96 S97K95-G99 WeakPolarHBondContact CE-O 3.23Å; T96-G99 PolarHBondContact O-N 2.93Å; T96-G99 PolarHBondContact OG1-N 3.01Å; S97-G99 VanDerWaalsContact C-N 3.35Å
100D94.2Very high95Very high80 Ų8039.6 Ų39.643%0.42822%0.224SC..  trans-59.4138.7175-50.8-70.1000110.7K95 T96 K98 F102K95-D100 CarbonylContact C-O 3.57Å; K95-D100 VanDerWaalsContact CA-O 3.28Å; K95-D100 WeakPolarHBondContact CA-O 3.44Å; T96-D100 HydrophobicContact CG2-CB 4.07Å; T96-D100 PolarHBondContact N-O 3.23Å; T96-D100 WeakPolarHBondContact OG1-CB 3.47Å; T96-D100 PolarHBondContact OG1-N 3.21Å; T96-D100 PolarHBondContact OG1-OD2 2.87Å; T96-D100 VanDerWaalsContact OG1-OD2 3.12Å; K98-D100 WeakPolarHBondContact CB-OD2 3.15Å; D100-F102 HydrophobicContact CB-CD2 4.22Å; D100-F102 HydrophobicContact CB-CE2 3.53Å; D100-F102 HydrophobicContact CB-CZ 4.18Å
101I95.5Very high95.2Very high30 Ų3037.9 Ų37.915%0.15421%0.212CC..EExtended strand (participates in β ladder)trans-114.9129.4179.5-60.5172.4000109.5F34 W41 K95 V175F34-I101 HydrophobicContact CB-CB 3.95Å; F34-I101 HydrophobicContact CB-CG2 4.08Å; F34-I101 HydrophobicContact CD1-CD1 4.43Å; F34-I101 PolarHBondContact N-O 2.69Å; W41-I101 HydrophobicContact CH2-CG2 3.85Å; W41-I101 HydrophobicContact CZ2-CG2 4.33Å; K95-I101 HydrophobicContact CB-CG1 4.17Å; K95-I101 HydrophobicContact CD-CD1 4.37Å; K95-I101 HydrophobicContact CD-CG1 4.05Å; K95-I101 HydrophobicContact CG-CG1 3.88Å; I101-V175 HydrophobicContact CD1-CG1 4.04Å; I101-V175 HydrophobicContact CD1-CG2 3.67Å
102F97.3Very high95.3Very high32 Ų3237.5 Ų37.514%0.1421%0.21CC..EExtended strand (participates in β ladder)trans-128.8160.5-178-66.7-82.7000111.2V31 Y32 L93 Y94 T96 D100V31-F102 HydrophobicContact CG1-CB 4.4Å; V31-F102 HydrophobicContact CG1-CD1 3.84Å; Y32-F102 CarbonylContact O-C 3.58Å; Y32-F102 WeakPolarHBondContact O-CA 3.44Å; L93-F102 WeakPolarHBondContact CA-O 3.37Å; Y94-F102 HydrophobicContact CD1-CB 3.83Å; Y94-F102 HydrophobicContact CD2-CB 4.38Å; Y94-F102 HydrophobicContact CD2-CD2 4.32Å; Y94-F102 HydrophobicContact CE1-CB 3.39Å; Y94-F102 HydrophobicContact CE1-CD2 4.46Å; Y94-F102 HydrophobicContact CE1-CG 4.15Å; Y94-F102 HydrophobicContact CE2-CB 4.01Å; Y94-F102 AromaticContact CE2-CD2 3.6Å; Y94-F102 HydrophobicContact CE2-CD2 3.6Å; Y94-F102 HydrophobicContact CE2-CE2 4.43Å; Y94-F102 HydrophobicContact CE2-CG 4.12Å; Y94-F102 HydrophobicContact CG-CB 4.31Å; Y94-F102 AromaticContact CZ-CD2 3.7Å; Y94-F102 AromaticContact CZ-CG 3.75Å; Y94-F102 PolarHBondContact N-O 3.29Å; Y94-F102 PolarHBondContact O-N 3.19Å; T96-F102 HydrophobicContact CG2-CD2 3.96Å; T96-F102 HydrophobicContact CG2-CE2 3.77Å; D100-F102 HydrophobicContact CB-CD2 4.22Å; D100-F102 HydrophobicContact CB-CE2 3.53Å; D100-F102 HydrophobicContact CB-CZ 4.18Å
103S96.4Very high95.4Very high0 Ų041.9 Ų41.90%023%0.231CC..EExtended strand (participates in β ladder)trans-137.2126.1172.1-178.40000109.2V31 Y32 W41 F91V31-S103 WeakPolarHBondContact CA-O 3.42Å; Y32-S103 PolarHBondContact N-O 3.41Å; Y32-S103 PolarHBondContact O-N 2.94Å; W41-S103 VanDerWaalsContact CZ3-CB 3.5Å; F91-S103 WeakPolarHBondContact CD1-OG 3.32Å
104I97.6Very high95.4Very high0 Ų045.7 Ų45.70%024%0.244CC..EExtended strand (participates in β ladder)trans-100.5111.4174.8-50.5172000107.2A29 F50 F63 I65 F91 L92 Y94 F106A29-I104 HydrophobicContact CB-CG2 3.82Å; F50-I104 HydrophobicContact CE2-CD1 4.09Å; F63-I104 HydrophobicContact CD2-CD1 4.42Å; F63-I104 HydrophobicContact CE2-CD1 3.72Å; F63-I104 HydrophobicContact CZ-CD1 4.15Å; I65-I104 HydrophobicContact CD1-CD1 4.2Å; I65-I104 HydrophobicContact CD1-CG1 4.28Å; I65-I104 HydrophobicContact CD1-CG2 3.91Å; F91-I104 CarbonylContact C-O 3.53Å; F91-I104 WeakPolarHBondContact CA-O 3.2Å; L92-I104 PolarHBondContact N-O 3.31Å; L92-I104 PolarHBondContact O-N 3.2Å; Y94-I104 HydrophobicContact CD1-CD1 4.07Å; Y94-I104 HydrophobicContact CD1-CG1 4.13Å; Y94-I104 HydrophobicContact CE1-CD1 3.77Å; Y94-I104 HydrophobicContact CE1-CG1 3.77Å; I104-F106 HydrophobicContact CB-CE2 3.92Å; I104-F106 HydrophobicContact CB-CZ 4.46Å; I104-F106 HydrophobicContact CG2-CD2 4.02Å; I104-F106 HydrophobicContact CG2-CE1 4.41Å; I104-F106 HydrophobicContact CG2-CE2 3.52Å; I104-F106 HydrophobicContact CG2-CZ 3.74Å
105W96.8Very high95.5Very high19 Ų1945.5 Ų45.57%0.07224%0.243CC..EExtended strand (participates in β ladder)trans-82.6128.9166.617979.9000109.4A29 H30 Y32 F91 F107 F216A29-W105 CarbonylContact C-O 3.54Å; A29-W105 VanDerWaalsContact CA-O 3.28Å; A29-W105 WeakPolarHBondContact CA-O 3.24Å; H30-W105 HydrophobicContact CB-CE3 4.26Å; H30-W105 PolarHBondContact N-O 2.87Å; H30-W105 AromaticContact ND1-CE3 3.94Å; H30-W105 AromaticContact ND1-CZ3 3.98Å; H30-W105 PolarHBondContact O-N 3.21Å; Y32-W105 HydrophobicContact CE2-CB 3.96Å; F91-W105 HydrophobicContact CD1-CB 3.74Å; F91-W105 AromaticContact CD1-CD1 3.9Å; F91-W105 HydrophobicContact CD1-CG 4.25Å; F91-W105 HydrophobicContact CE1-CB 3.67Å; F91-W105 AromaticContact CE1-CD1 3.46Å; F91-W105 VanDerWaalsContact CE1-CD1 3.46Å; F91-W105 AromaticContact CE1-CG 3.9Å; F91-W105 HydrophobicContact CE1-CG 3.9Å; F91-W105 AromaticContact CZ-CD1 3.51Å; F91-W105 HydrophobicContact CZ-CG 4.35Å; W105-F107 HydrophobicContact CH2-CB 4.18Å; W105-F107 AromaticContact CH2-CD2 3.96Å; W105-F107 HydrophobicContact CH2-CD2 3.96Å; W105-F107 HydrophobicContact CZ3-CB 4.21Å; W105-F216 HydrophobicContact CH2-CE1 4.46Å; W105-F216 HydrophobicContact CZ3-CE1 4.35Å; W105-F216 HydrophobicContact CZ3-CZ 4.48Å
106F96.1Very high95.6Very high0 Ų043.8 Ų43.80%024%0.236CC..EExtended strand (participates in β ladder)trans-103.2141.3171.4-67.9-96.8000110.1A29 F50 P90 L92 I104 S108 D111 C112 I115A29-F106 HydrophobicContact CB-CD1 4Å; A29-F106 HydrophobicContact CB-CE1 4Å; F50-F106 HydrophobicContact CB-CE1 4.01Å; F50-F106 HydrophobicContact CD1-CE1 4.17Å; F50-F106 AromaticContact CD2-CE1 3.95Å; F50-F106 HydrophobicContact CD2-CE1 3.95Å; F50-F106 AromaticContact CD2-CZ 3.86Å; F50-F106 HydrophobicContact CD2-CZ 3.86Å; F50-F106 HydrophobicContact CE2-CE1 4.49Å; F50-F106 HydrophobicContact CE2-CZ 4.02Å; F50-F106 AromaticContact CG-CE1 3.79Å; F50-F106 HydrophobicContact CG-CE1 3.79Å; F50-F106 HydrophobicContact CG-CZ 4.14Å; F50-F106 HydrophobicContact CZ-CZ 4.43Å; P90-F106 PolarHBondContact O-N 3.39Å; L92-F106 HydrophobicContact CB-CE2 3.99Å; L92-F106 HydrophobicContact CD2-CE2 4.45Å; I104-F106 HydrophobicContact CB-CE2 3.92Å; I104-F106 HydrophobicContact CB-CZ 4.46Å; I104-F106 HydrophobicContact CG2-CD2 4.02Å; I104-F106 HydrophobicContact CG2-CE1 4.41Å; I104-F106 HydrophobicContact CG2-CE2 3.52Å; I104-F106 HydrophobicContact CG2-CZ 3.74Å; F106-S108 WeakPolarHBondContact CB-O 3.32Å; F106-S108 PolarHBondContact O-N 3.33Å; F106-D111 HydrophobicContact CD1-CB 4.46Å; F106-C112 HydrophobicContact CB-CB 4.02Å; F106-C112 HydrophobicContact CD2-CB 3.8Å; F106-C112 HydrophobicContact CG-CB 4.1Å; F106-I115 HydrophobicContact CD1-CD1 4.31Å; F106-I115 HydrophobicContact CE1-CD1 3.65Å; F106-I115 HydrophobicContact CZ-CD1 4.25Å; F106-I115 HydrophobicContact CZ-CG2 4.13Å
107F92.3Very high95.7Very high144 Ų14449.7 Ų49.763%0.63226%0.263SS*.SBendtrans-63.6-31172.4179.7-94.6000112.3S28 W105S28-F107 PolarHBondContact O-N 3.32Å; W105-F107 HydrophobicContact CH2-CB 4.18Å; W105-F107 AromaticContact CH2-CD2 3.96Å; W105-F107 HydrophobicContact CH2-CD2 3.96Å; W105-F107 HydrophobicContact CZ3-CB 4.21Å
108S93.4Very high96.1Very high27 Ų2749.2 Ų49.219%0.18925%0.25CC..  trans-106.3117.8178.4169.10000110.1F106 S110 D111 C112F106-S108 WeakPolarHBondContact CB-O 3.32Å; F106-S108 PolarHBondContact O-N 3.33Å; S108-S110 VanDerWaalsContact C-N 3.34Å; S108-S110 PolarHBondContact OG-OG 2.84Å; S108-S110 VanDerWaalsContact OG-OG 3.13Å; S108-D111 WeakPolarHBondContact CB-OD2 3.41Å; S108-D111 WeakPolarHBondContact O-CB 3.24Å; S108-D111 PolarHBondContact O-N 2.92Å; S108-D111 PolarHBondContact OG-N 3.05Å; S108-D111 VanDerWaalsContact OG-N 3.15Å; S108-C112 PolarHBondContact O-N 2.94Å
109G94Very high96.4Very high25 Ų2541.7 Ų41.726%0.25822%0.217SC..Hα-helixtrans-63.3-39.2176.100000112.6C89 D111 C112 E113C89-G109 VanDerWaalsContact SG-CA 3.59Å; C89-G109 PolarHBondContact SG-O 2.97Å; G109-D111 VanDerWaalsContact C-N 3.29Å; G109-D111 PolarHBondContact O-N 3.13Å; G109-C112 VanDerWaalsContact O-CB 3.28Å; G109-C112 WeakPolarHBondContact O-CB 3.4Å; G109-C112 PolarHBondContact O-N 2.84Å; G109-C112 VanDerWaalsContact O-N 3.11Å; G109-E113 PolarHBondContact O-N 2.92Å
110S97.3Very high96.8Very high78 Ų7840.3 Ų40.355%0.54520%0.202SC..Hα-helixtrans-67.8-26.8175.252.60000113S108 R114S108-S110 VanDerWaalsContact C-N 3.34Å; S108-S110 PolarHBondContact OG-OG 2.84Å; S108-S110 VanDerWaalsContact OG-OG 3.13Å; S110-R114 WeakPolarHBondContact O-CB 3.28Å; S110-R114 PolarHBondContact O-N 3.48Å
111D97.9Very high97Very high4 Ų442.9 Ų42.92%0.02121%0.21CC..Hα-helixtrans-70.2-44.1167.8-74.6-12.7000111.1S26 F106 S108 G109 E113 R114 I115S26-D111 VanDerWaalsContact CB-OD2 3.27Å; S26-D111 WeakPolarHBondContact CB-OD2 3.46Å; S26-D111 PolarHBondContact OG-OD2 2.74Å; F106-D111 HydrophobicContact CD1-CB 4.46Å; S108-D111 WeakPolarHBondContact CB-OD2 3.41Å; S108-D111 WeakPolarHBondContact O-CB 3.24Å; S108-D111 PolarHBondContact O-N 2.92Å; S108-D111 PolarHBondContact OG-N 3.05Å; S108-D111 VanDerWaalsContact OG-N 3.15Å; G109-D111 VanDerWaalsContact C-N 3.29Å; G109-D111 PolarHBondContact O-N 3.13Å; D111-E113 VanDerWaalsContact C-N 3.33Å; D111-E113 PolarHBondContact O-N 3.3Å; D111-R114 PolarHBondContact O-N 3.21Å; D111-R114 IonicContact OD1-CZ 3.37Å; D111-R114 IonicContact OD1-NE 2.72Å; D111-R114 PolarHBondContact OD1-NE 2.71Å; D111-R114 IonicContact OD1-NH2 2.65Å; D111-R114 PolarHBondContact OD1-NH2 3.32Å; D111-I115 HydrophobicContact CB-CD1 4.23Å; D111-I115 WeakPolarHBondContact O-CB 3.39Å; D111-I115 VanDerWaalsContact O-CG1 3.27Å; D111-I115 WeakPolarHBondContact O-CG1 3.47Å; D111-I115 PolarHBondContact O-N 3.17Å
112C97.8Very high97.1Very high0 Ų042.5 Ų42.50%021%0.208CC..Hα-helixtrans-54.7-48.5178.3-170.50000111.6L87 F91 F106 S108 G109 A116L87-C112 VanDerWaalsContact CD1-SG 3.57Å; F91-C112 VanDerWaalsContact C-SG 3.56Å; F106-C112 HydrophobicContact CB-CB 4.02Å; F106-C112 HydrophobicContact CD2-CB 3.8Å; F106-C112 HydrophobicContact CG-CB 4.1Å; S108-C112 PolarHBondContact O-N 2.94Å; G109-C112 VanDerWaalsContact O-CB 3.28Å; G109-C112 WeakPolarHBondContact O-CB 3.4Å; G109-C112 PolarHBondContact O-N 2.84Å; G109-C112 VanDerWaalsContact O-N 3.11Å; C112-A116 WeakPolarHBondContact O-CB 3.38Å; C112-A116 PolarHBondContact O-N 2.85Å
113E97.9Very high97.1Very high92 Ų9241 Ų4143%0.4320%0.201SC..Hα-helixtrans-64.8-54.5179.5-70.9165.4-176.400111.4L87 C89 G109 D111 I115 A116 E117L87-E113 HydrophobicContact CD2-CG 4.18Å; C89-E113 HydrophobicContact CB-CG 4.1Å; C89-E113 PolarHBondContact SG-OE1 2.71Å; G109-E113 PolarHBondContact O-N 2.92Å; D111-E113 VanDerWaalsContact C-N 3.33Å; D111-E113 PolarHBondContact O-N 3.3Å; E113-I115 VanDerWaalsContact C-N 3.33Å; E113-I115 PolarHBondContact O-N 2.86Å; E113-A116 PolarHBondContact O-N 3.11Å; E113-A116 VanDerWaalsContact O-N 3.14Å; E113-E117 WeakPolarHBondContact O-CG 3.43Å; E113-E117 PolarHBondContact O-N 2.84Å
114R98.3Very high97.2Very high96 Ų9646.7 Ų46.736%0.36223%0.228SC..Hα-helixtrans-58.1-39.6-179.3-176.9176.266.977.3-0.3113.3D24 K25 S110 D111 K118D24-R114 IonicContact OD1-CZ 3.98Å; D24-R114 IonicContact OD1-NH1 2.96Å; D24-R114 PolarHBondContact OD1-NH1 2.99Å; D24-R114 IonicContact OD1-NH2 2.67Å; D24-R114 PolarHBondContact OD1-NH2 3.01Å; D24-R114 IonicContact OD2-CZ 3.48Å; D24-R114 IonicContact OD2-NH1 3.5Å; D24-R114 PolarHBondContact OD2-NH1 2.97Å; K25-R114 PolarHBondContact O-NH2 3.38Å; S110-R114 WeakPolarHBondContact O-CB 3.28Å; S110-R114 PolarHBondContact O-N 3.48Å; D111-R114 PolarHBondContact O-N 3.21Å; D111-R114 IonicContact OD1-CZ 3.37Å; D111-R114 IonicContact OD1-NE 2.72Å; D111-R114 PolarHBondContact OD1-NE 2.71Å; D111-R114 IonicContact OD1-NH2 2.65Å; D111-R114 PolarHBondContact OD1-NH2 3.32Å; R114-K118 WeakPolarHBondContact O-CB 3.36Å; R114-K118 PolarHBondContact O-N 2.91Å
115I98.6Very high97.2Very high0 Ų051.4 Ų51.40%025%0.253CS..Hα-helixtrans-75.1-41.8176.1-70.5168.1000110.5D24 F50 F106 D111 E113 K118 L119D24-I115 HydrophobicContact CB-CG1 4.33Å; F50-I115 HydrophobicContact CD1-CD1 3.78Å; F50-I115 HydrophobicContact CD1-CG2 4.3Å; F50-I115 HydrophobicContact CE1-CD1 3.94Å; F50-I115 HydrophobicContact CE1-CG1 4.34Å; F50-I115 HydrophobicContact CE1-CG2 3.44Å; F50-I115 VanDerWaalsContact CE1-CG2 3.44Å; F50-I115 HydrophobicContact CE2-CG2 4.49Å; F50-I115 HydrophobicContact CZ-CG2 3.56Å; F106-I115 HydrophobicContact CD1-CD1 4.31Å; F106-I115 HydrophobicContact CE1-CD1 3.65Å; F106-I115 HydrophobicContact CZ-CD1 4.25Å; F106-I115 HydrophobicContact CZ-CG2 4.13Å; D111-I115 HydrophobicContact CB-CD1 4.23Å; D111-I115 WeakPolarHBondContact O-CB 3.39Å; D111-I115 VanDerWaalsContact O-CG1 3.27Å; D111-I115 WeakPolarHBondContact O-CG1 3.47Å; D111-I115 PolarHBondContact O-N 3.17Å; E113-I115 VanDerWaalsContact C-N 3.33Å; E113-I115 PolarHBondContact O-N 2.86Å; I115-K118 PolarHBondContact O-N 2.87Å; I115-L119 WeakPolarHBondContact O-CB 3.49Å; I115-L119 PolarHBondContact O-N 2.85Å
116A98.3Very high97.1Very high0 Ų052.9 Ų52.90%027%0.269CS..Hα-helixtrans-63.1-42.2178.300000112.3L87 L92 C112 E113 G120 L131L87-A116 HydrophobicContact CB-CB 4.26Å; L87-A116 HydrophobicContact CD1-CB 3.92Å; L87-A116 HydrophobicContact CD2-CB 4.21Å; L87-A116 HydrophobicContact CG-CB 4.36Å; L92-A116 HydrophobicContact CD1-CB 3.84Å; L92-A116 HydrophobicContact CD2-CB 4.16Å; C112-A116 WeakPolarHBondContact O-CB 3.38Å; C112-A116 PolarHBondContact O-N 2.85Å; E113-A116 PolarHBondContact O-N 3.11Å; E113-A116 VanDerWaalsContact O-N 3.14Å; A116-G120 WeakPolarHBondContact O-CA 3.4Å; A116-G120 PolarHBondContact O-N 3.18Å; A116-L131 HydrophobicContact CB-CD1 4.06Å; A116-L131 HydrophobicContact CB-CD2 3.9Å
117E98.1Very high97.1Very high137 Ų13756 Ų5664%0.6430%0.301SS*.Hα-helixtrans-60.8-49.3174.4-73.3-175.8166.300111.6E113 G120 K121E113-E117 WeakPolarHBondContact O-CG 3.43Å; E113-E117 PolarHBondContact O-N 2.84Å; E117-G120 PolarHBondContact O-N 3.04Å; E117-K121 PolarHBondContact O-N 3.05Å
118K98.4Very high97.2Very high78 Ų7849.8 Ų49.834%0.33928%0.278SS..Hα-helixtrans-63.4-45.7-180-174.3177.6-75.1170.80111.7L23 D24 L52 R114 I115 K121 L122L23-K118 PolarHBondContact O-NZ 3.41Å; D24-K118 HydrophobicContact CB-CD 4.1Å; D24-K118 WeakPolarHBondContact OD2-CE 3.45Å; D24-K118 IonicContact OD2-NZ 2.75Å; D24-K118 PolarHBondContact OD2-NZ 3.33Å; L52-K118 HydrophobicContact CD2-CB 4.36Å; L52-K118 HydrophobicContact CD2-CD 3.92Å; L52-K118 HydrophobicContact CD2-CG 3.9Å; R114-K118 WeakPolarHBondContact O-CB 3.36Å; R114-K118 PolarHBondContact O-N 2.91Å; I115-K118 PolarHBondContact O-N 2.87Å; K118-K121 PolarHBondContact O-N 2.99Å; K118-L122 WeakPolarHBondContact O-CG 3.31Å; K118-L122 PolarHBondContact O-N 2.97Å; K118-L122 VanDerWaalsContact O-N 3.12Å
119L98.3Very high97.2Very high1 Ų153.8 Ų53.81%0.00530%0.297CS..Hα-helixtrans-66.4-40.4177-168.872.9000111.5L52 F63 V79 L85 L92 I115 K121 L122 V123L52-L119 HydrophobicContact CD1-CD1 3.69Å; L52-L119 HydrophobicContact CD2-CB 4.4Å; L52-L119 HydrophobicContact CD2-CD1 4.23Å; F63-L119 HydrophobicContact CD1-CD1 3.92Å; F63-L119 HydrophobicContact CD1-CD2 4.15Å; F63-L119 HydrophobicContact CE1-CD1 4.49Å; F63-L119 HydrophobicContact CE1-CD2 4.06Å; V79-L119 HydrophobicContact CG2-CD1 3.62Å; L85-L119 HydrophobicContact CD1-CB 4.23Å; L85-L119 HydrophobicContact CD1-CD2 3.84Å; L85-L119 HydrophobicContact CD1-CG 3.77Å; L85-L119 HydrophobicContact CD2-CD2 3.75Å; L85-L119 HydrophobicContact CG-CD2 4.47Å; L92-L119 HydrophobicContact CD2-CD2 4.03Å; I115-L119 WeakPolarHBondContact O-CB 3.49Å; I115-L119 PolarHBondContact O-N 2.85Å; L119-K121 PolarHBondContact O-N 3.42Å; L119-L122 PolarHBondContact O-N 3.5Å; L119-L122 VanDerWaalsContact O-N 3.16Å; L119-V123 PolarHBondContact O-N 3.33Å
120G98Very high97.2Very high3 Ų352.9 Ų52.93%0.03129%0.287CS..Hα-helixtrans-55.9-48173.600000112.7A116 E117 V123 H124 G130A116-G120 WeakPolarHBondContact O-CA 3.4Å; A116-G120 PolarHBondContact O-N 3.18Å; E117-G120 PolarHBondContact O-N 3.04Å; G120-V123 PolarHBondContact O-N 3.49Å; G120-H124 PolarHBondContact O-N 3Å; G120-G130 WeakPolarHBondContact O-CA 3.17Å
121K98.2Very high97.1Very high134 Ų13451.1 Ų51.158%0.58327%0.271SS*.Hα-helixtrans-60-46173.4-175.4177179.1-177.90111.6E117 K118 L119 V123 H124 D125E117-K121 PolarHBondContact O-N 3.05Å; K118-K121 PolarHBondContact O-N 2.99Å; L119-K121 PolarHBondContact O-N 3.42Å; K121-V123 VanDerWaalsContact C-N 3.3Å; K121-V123 PolarHBondContact O-N 3.08Å; K121-H124 PolarHBondContact O-N 3.23Å; K121-D125 WeakPolarHBondContact CE-OD2 3.33Å; K121-D125 WeakPolarHBondContact CG-OD2 3.37Å; K121-D125 WeakPolarHBondContact O-CB 3.35Å; K121-D125 PolarHBondContact O-N 3.45Å
122L98.2Very high96.9Very high22 Ų2255.2 Ų55.212%0.11529%0.289CS..Hα-helixtrans-64.5-31.4179.7-65.6173.6000113.4L23 L52 F61 V79 K118 L119 A126L23-L122 HydrophobicContact CD1-CD1 4.16Å; L52-L122 HydrophobicContact CD1-CD1 4.03Å; L52-L122 HydrophobicContact CD2-CD1 4.07Å; L52-L122 HydrophobicContact CG-CD1 4.33Å; F61-L122 HydrophobicContact CB-CD1 4.27Å; F61-L122 HydrophobicContact CD1-CD1 4.07Å; F61-L122 HydrophobicContact CD1-CD2 4.08Å; F61-L122 HydrophobicContact CD2-CD2 3.96Å; F61-L122 HydrophobicContact CE1-CD2 3.88Å; F61-L122 HydrophobicContact CE2-CD2 3.76Å; F61-L122 HydrophobicContact CG-CD1 4.07Å; F61-L122 HydrophobicContact CG-CD2 4.11Å; F61-L122 HydrophobicContact CZ-CD2 3.72Å; V79-L122 HydrophobicContact CG1-CB 4.03Å; K118-L122 WeakPolarHBondContact O-CG 3.31Å; K118-L122 PolarHBondContact O-N 2.97Å; K118-L122 VanDerWaalsContact O-N 3.12Å; L119-L122 PolarHBondContact O-N 3.5Å; L119-L122 VanDerWaalsContact O-N 3.16Å; L122-A126 WeakPolarHBondContact O-CB 3.41Å; L122-A126 PolarHBondContact O-N 3.14Å
123V97.9Very high96.4Very high0 Ų061 Ų610%032%0.319CS..Hα-helixtrans-69.9-45171.1168.60000111.2V79 L83 L85 L119 G120 K121 A126 G127 G128V79-V123 HydrophobicContact CG1-CG2 3.71Å; L83-V123 HydrophobicContact CB-CG2 4.24Å; L83-V123 HydrophobicContact CD2-CG2 3.95Å; L83-V123 HydrophobicContact CG-CG2 4.32Å; L83-V123 VanDerWaalsContact O-CG1 3.3Å; L83-V123 WeakPolarHBondContact O-CG1 3.47Å; L85-V123 HydrophobicContact CD1-CB 4.25Å; L85-V123 HydrophobicContact CD1-CG2 3.64Å; L85-V123 HydrophobicContact CG-CG2 4.26Å; L119-V123 PolarHBondContact O-N 3.33Å; G120-V123 PolarHBondContact O-N 3.49Å; K121-V123 VanDerWaalsContact C-N 3.3Å; K121-V123 PolarHBondContact O-N 3.08Å; V123-A126 PolarHBondContact O-N 3.45Å; V123-G127 PolarHBondContact O-N 3.03Å; V123-G128 WeakPolarHBondContact O-CA 3.44Å; V123-G128 PolarHBondContact O-N 3.29Å
124H97.5Very high95.2Very high121 Ų12157.1 Ų57.156%0.5630%0.302SS*.Hα-helixtrans-61-48176.7172.5-85.5000111.8G120 K121 A126 G127G120-H124 PolarHBondContact O-N 3Å; K121-H124 PolarHBondContact O-N 3.23Å; H124-A126 PolarHBondContact O-N 3.44Å; H124-G127 WeakPolarHBondContact O-CA 3.35Å; H124-G127 PolarHBondContact O-N 2.75Å
125D97.1Very high93.7Very high99 Ų9957.7 Ų57.753%0.52932%0.319SS..Hα-helixtrans-66.6-17.4179.3-64.9-3.9000112.2K121K121-D125 WeakPolarHBondContact CE-OD2 3.33Å; K121-D125 WeakPolarHBondContact CG-OD2 3.37Å; K121-D125 WeakPolarHBondContact O-CB 3.35Å; K121-D125 PolarHBondContact O-N 3.45Å
126A95.5Very high91.4Very high50 Ų5062 Ų6241%0.41335%0.345SS..THydrogen-bonded Turntrans-87.4-0.9169.600000114.1A81 L122 V123 H124A81-A126 WeakPolarHBondContact CB-O 3.49Å; L122-A126 WeakPolarHBondContact O-CB 3.41Å; L122-A126 PolarHBondContact O-N 3.14Å; V123-A126 PolarHBondContact O-N 3.45Å; H124-A126 PolarHBondContact O-N 3.44Å
127G95.8Very high88.7Confident65 Ų6566.9 Ų66.967%0.6737%0.371SS*.THydrogen-bonded Turntrans92.714.1-178.100000115.3V123 H124V123-G127 PolarHBondContact O-N 3.03Å; H124-G127 WeakPolarHBondContact O-CA 3.35Å; H124-G127 PolarHBondContact O-N 2.75Å
128G95.2Very high86.1Confident14 Ų1468.1 Ų68.114%0.14438%0.377CS..SBendtrans-93.9-179177.800000114.5A81 V123 G130A81-G128 WeakPolarHBondContact O-CA 3.38Å; V123-G128 WeakPolarHBondContact O-CA 3.44Å; V123-G128 PolarHBondContact O-N 3.29Å; G128-G130 PolarHBondContact O-N 2.65Å; G128-G130 VanDerWaalsContact O-N 3.13Å
129L93.2Very high83Confident111 Ų11169.9 Ų69.958%0.58140%0.399SS*.  trans-71.2-2.4-177.5-62.8179.9000115.1
130G94.2Very high80Confident6 Ų675.9 Ų75.96%0.06244%0.436CS..  trans65-148.7-174.300000113.8G120 G128G120-G130 WeakPolarHBondContact O-CA 3.17Å; G128-G130 PolarHBondContact O-N 2.65Å; G128-G130 VanDerWaalsContact O-N 3.13Å
131L94.8Very high76.9Confident40 Ų4082.6 Ų82.621%0.20947%0.471CS..EExtended strand (participates in β ladder)trans-95.8128.6176.3-176.770.7000111.4L85 L87 L92 A116 I133L85-L131 HydrophobicContact CB-CD1 3.78Å; L87-L131 HydrophobicContact CB-CD1 3.99Å; L87-L131 HydrophobicContact CB-CD2 4.07Å; L87-L131 HydrophobicContact CB-CG 4.3Å; L87-L131 HydrophobicContact CD2-CD2 4.28Å; L92-L131 HydrophobicContact CD1-CD1 4.07Å; A116-L131 HydrophobicContact CB-CD1 4.06Å; A116-L131 HydrophobicContact CB-CD2 3.9Å; L131-I133 HydrophobicContact CD2-CG1 4.35Å
132K93Very high73.8Confident90 Ų9081.6 Ų81.639%0.39148%0.481SS..EExtended strand (participates in β ladder)trans-90.7131.6163-63.3179.7179.7179.60109.7L85 Q86 L87L85-K132 PolarHBondContact O-N 2.76Å; Q86-K132 CarbonylContact C-O 3.13Å; Q86-K132 VanDerWaalsContact CA-O 3.25Å; Q86-K132 WeakPolarHBondContact CA-O 3.42Å; Q86-K132 HydrophobicContact CB-CB 4.47Å; Q86-K132 HydrophobicContact CG-CB 4.44Å; L87-K132 PolarHBondContact N-O 3.13Å
133I87.3Confident70.9Confident123 Ų12389.5 Ų89.563%0.63151%0.514SS*.EExtended strand (participates in β ladder)trans-94.4130.1170.8-58.6175.7000107.8L131L131-I133 HydrophobicContact CD2-CG1 4.35Å
134A74.5Confident67.9Low10 Ų1094.9 Ų94.98%0.08355%0.552CS.*PPolyproline II helixtrans-65.7133.4175.300000110.9L87 H88 T136L87-A134 WeakPolarHBondContact O-CB 3.31Å; L87-A134 PolarHBondContact O-N 3.41Å; H88-A134 HydrophobicContact CB-CB 4.23Å; A134-T136 PolarHBondContact O-N 2.81Å; A134-T136 PolarHBondContact O-OG1 2.92Å
135P66.3Low65.1Low108 Ų10899 Ų9970%0.70157%0.568SS**  trans-60.298.3179.3-26.636.1000113
136T49.8Very low62.2Low90 Ų9099.9 Ų99.955%0.55258%0.582SS**  trans-81.5117.9176.1-60.50000108.7A134 Q138A134-T136 PolarHBondContact O-N 2.81Å; A134-T136 PolarHBondContact O-OG1 2.92Å; T136-Q138 HydrophobicContact CG2-CB 4.47Å; T136-Q138 HydrophobicContact CG2-CG 4.14Å; T136-Q138 PolarHBondContact O-N 3.05Å
137N41.5Very low59.4Low103 Ų103103.1 Ų103.155%0.55160%0.601SS**SBendtrans-77.654.2-172.3-69.6-73.9000113.5T163N137-T163 HydrophobicContact CB-CG2 4.37Å; N137-T163 WeakPolarHBondContact ND2-CG2 3.31Å
138Q43.7Very low56.5Low162 Ų162108.1 Ų108.176%0.75761%0.613SS**  trans-111.125.8175.8-70-167.973.100113.1T136 T140T136-Q138 HydrophobicContact CG2-CB 4.47Å; T136-Q138 HydrophobicContact CG2-CG 4.14Å; T136-Q138 PolarHBondContact O-N 3.05Å; Q138-T140 PolarHBondContact O-N 2.86Å
139S34.2Very low53.9Low116 Ų116112.9 Ų112.981%0.81164%0.644SS**  trans-97.271.5171.7-63.80000111N141S139-N141 PolarHBondContact O-N 2.85Å
140T33.5Very low51.1Low126 Ų126113.5 Ų113.577%0.77365%0.652SS**  trans-61.9120.3170.9490000109.8Q138 S142Q138-T140 PolarHBondContact O-N 2.86Å; T140-S142 VanDerWaalsContact C-N 3.34Å; T140-S142 PolarHBondContact O-N 3.17Å
141N33.8Very low48.4Very low145 Ų145121.6 Ų121.678%0.77569%0.691SS**  trans-67.382.4-173.3-172.3-0.6000112.3S139 K143S139-N141 PolarHBondContact O-N 2.85Å; N141-K143 PolarHBondContact O-N 2.85Å
142S33.4Very low45.6Very low113 Ų113126.8 Ų126.879%0.7972%0.718SS**  trans-77.651.9-176.762.30000112.9T140 S144T140-S142 VanDerWaalsContact C-N 3.34Å; T140-S142 PolarHBondContact O-N 3.17Å; S142-S144 PolarHBondContact O-N 3.03Å
143K37.1Very low42.6Very low187 Ų187128 Ų12881%0.81374%0.738SS**  trans-74.796.9177.3-155163.5-168.1169.40109.4N141 K145N141-K143 PolarHBondContact O-N 2.85Å; K143-K145 PolarHBondContact O-N 2.91Å
144S34.5Very low40Very low113 Ų113130.3 Ų130.379%0.7975%0.749SS**  trans-58.9121.1-168.446.70000114.4S142S142-S144 PolarHBondContact O-N 3.03Å
145K40Very low38Very low209 Ų209136.9 Ų136.991%0.90979%0.787SS**  trans-136.7142.1152.9-81.4-165.5176.3-179.20111K143K143-K145 PolarHBondContact O-N 2.91Å
146S34.6Very low36.5Very low116 Ų116136.6 Ų136.681%0.81178%0.783SS**  trans-71.7134.3-170.650.70000114.8
147S37.5Very low35.6Very low118 Ų118135.8 Ų135.883%0.82579%0.786SS**  -175.1156.5124.638.40000110.6
148N35.8Very low35.4Very low171 Ų171137.1 Ų137.191%0.91480%0.8SS**  trans-88.9130.9-171.5-57.7-38.4000111.8
149S38.8Very low34.8Very low114 Ų114137.9 Ų137.980%0.79780%0.801SS**  trans-152149.3148.4-166.30000110.2
150V34.8Very low35.1Very low123 Ų123136.4 Ų136.475%0.74579%0.79SS**  trans-107.7127.3-174175.30000109.6
151M38Very low35.6Very low177 Ų177134.7 Ų134.787%0.87278%0.782SS**  trans-156.8150.4153.3-118.8166.6-75.400111.5
152N35.9Very low35.8Very low148 Ų148133.9 Ų133.979%0.79177%0.773SS**  trans-94155.6-168.8-69.5-25.2000113
153S30.7Very low36Very low116 Ų116131.8 Ų131.881%0.81176%0.756SS**  trans48.1102.4142.3-169.20000118.7
154M32.4Very low35.9Very low172 Ų172125.5 Ų125.585%0.84773%0.733SS**  -148.5137.7129.9-144.4173.2-164.400111.1V156M154-V156 HydrophobicContact CB-CG2 4.38Å; M154-V156 PolarHBondContact O-N 2.89Å
155V31.3Very low36.1Very low147 Ų147122.5 Ų122.589%0.89171%0.71SS**  trans-74.8117.2168.81770000107.7
156V35.2Very low36.3Very low102 Ų102119.3 Ų119.362%0.61870%0.696SS**  trans-117.6115.5-178.7-179.40000109.2M154M154-V156 HydrophobicContact CB-CG2 4.38Å; M154-V156 PolarHBondContact O-N 2.89Å
157A30.4Very low36.7Very low73 Ų73115.7 Ų115.760%0.60368%0.677SS**  trans-64146.3173.500000111.3
158P38.1Very low37Very low132 Ų132111.1 Ų111.186%0.85764%0.643SS**  trans-56.3143.1175.8-24.434.5000112.3
159K31.1Very low37.8Very low178 Ų178107.6 Ų107.677%0.77462%0.624SS**  trans-121.8144.6-176.8-65.2-179.1-178.1175.50111.7
160S41Very low38.6Very low84 Ų84109.2 Ų109.259%0.58762%0.619SS**  trans73141.7175.992.50000117.8
161P43Very low39.4Very low91 Ų91105.2 Ų105.259%0.59159%0.593SS**SBendtrans-91.9-4.2-176.736.5-36.9000114.7T163 V164P161-T163 VanDerWaalsContact C-N 3.31Å; P161-T163 PolarHBondContact O-N 2.87Å; P161-V164 PolarHBondContact O-N 2.86Å
162E38.7Very low40.1Very low128 Ų12899.1 Ų99.160%0.59856%0.563SS**THydrogen-bonded Turntrans-71.7-15.3-161-63177.2-177.700115.9T165 K166E162-T165 PolarHBondContact O-OG1 2.88Å; E162-K166 WeakPolarHBondContact O-CE 3.35Å
163T37.6Very low41.3Very low69 Ų6995.8 Ų95.842%0.42355%0.545SS..THydrogen-bonded Turntrans-90.7-25.4-179.8-28.10000112.4N137 P161N137-T163 HydrophobicContact CB-CG2 4.37Å; N137-T163 WeakPolarHBondContact ND2-CG2 3.31Å; P161-T163 VanDerWaalsContact C-N 3.31Å; P161-T163 PolarHBondContact O-N 2.87Å
164V34.7Very low42.6Very low55 Ų5594 Ų9433%0.33352%0.523SS..Hα-helixtrans-79.7-32.2-175.3-142.50000111.8P161 K166 F206P161-V164 PolarHBondContact O-N 2.86Å; V164-K166 VanDerWaalsContact C-N 3.34Å; V164-K166 PolarHBondContact O-N 2.86Å; V164-F206 HydrophobicContact CB-CD2 3.95Å; V164-F206 HydrophobicContact CB-CE2 3.8Å; V164-F206 HydrophobicContact CB-CZ 4.48Å; V164-F206 HydrophobicContact CG1-CD1 4.49Å; V164-F206 HydrophobicContact CG1-CD2 3.75Å; V164-F206 HydrophobicContact CG1-CE1 4.11Å; V164-F206 HydrophobicContact CG1-CE2 3.29Å; V164-F206 HydrophobicContact CG1-CG 4.34Å; V164-F206 HydrophobicContact CG1-CZ 3.5Å; V164-F206 VanDerWaalsContact CG1-CZ 3.5Å
165T39Very low43.6Very low50 Ų5087.6 Ų87.631%0.30749%0.494SS..Hα-helixtrans-60.9-40.2174.3520000112.4E162 G167 L168 N169E162-T165 PolarHBondContact O-OG1 2.88Å; T165-G167 PolarHBondContact O-N 3.14Å; T165-L168 PolarHBondContact O-N 2.93Å; T165-L168 VanDerWaalsContact O-N 3.15Å; T165-N169 PolarHBondContact O-N 3.5Å; T165-N169 PolarHBondContact O-OD1 2.93Å
166K43.6Very low45.1Very low142 Ų14287 Ų8762%0.61748%0.475SS*.Hα-helixtrans-63.7-44.2-176.9-65.2177.4-176.11760112.9E162 V164 L168 N169E162-K166 WeakPolarHBondContact O-CE 3.35Å; V164-K166 VanDerWaalsContact C-N 3.34Å; V164-K166 PolarHBondContact O-N 2.86Å; K166-L168 PolarHBondContact O-N 3.36Å; K166-N169 PolarHBondContact O-N 3.18Å
167G42.5Very low46.2Very low39 Ų3984.7 Ų84.740%0.40247%0.467SS..Hα-helixtrans-66.7-22176.700000113.5T165T165-G167 PolarHBondContact O-N 3.14Å
168L45.5Very low47.1Very low23 Ų2383.5 Ų83.512%0.1245%0.454CS..Hα-helixtrans-93-27.7178.4-155.297.2000114.1T165 K166 Q170 L171 M172 I205 F206T165-L168 PolarHBondContact O-N 2.93Å; T165-L168 VanDerWaalsContact O-N 3.15Å; K166-L168 PolarHBondContact O-N 3.36Å; L168-Q170 PolarHBondContact O-N 3.2Å; L168-L171 HydrophobicContact CD1-CB 4.47Å; L168-L171 HydrophobicContact CD1-CD2 3.85Å; L168-L171 HydrophobicContact CG-CB 4.31Å; L168-L171 HydrophobicContact CG-CD2 4.4Å; L168-L171 WeakPolarHBondContact O-CA 3.4Å; L168-L171 WeakPolarHBondContact O-CB 3.38Å; L168-L171 PolarHBondContact O-N 3.45Å; L168-M172 PolarHBondContact O-N 3.35Å; L168-I205 HydrophobicContact CD1-CD1 4.09Å; L168-I205 HydrophobicContact CD1-CG2 3.68Å; L168-I205 HydrophobicContact CD2-CB 3.5Å; L168-I205 VanDerWaalsContact CD2-CB 3.5Å; L168-I205 HydrophobicContact CD2-CD1 3.93Å; L168-I205 HydrophobicContact CD2-CG1 4.3Å; L168-I205 HydrophobicContact CD2-CG2 3.32Å; L168-I205 HydrophobicContact CG-CG2 3.98Å; L168-F206 HydrophobicContact CB-CE2 4.46Å; L168-F206 HydrophobicContact CD1-CE2 4.39Å; L168-F206 HydrophobicContact CD1-CZ 4.14Å
169N51.1Low47.4Very low97 Ų9783.7 Ų83.752%0.51945%0.448SS..Hα-helixtrans-57.5-42170.3-71.6-5.3000110.1T165 K166 L171 M172 D173T165-N169 PolarHBondContact O-N 3.5Å; T165-N169 PolarHBondContact O-OD1 2.93Å; K166-N169 PolarHBondContact O-N 3.18Å; N169-L171 VanDerWaalsContact C-N 3.25Å; N169-L171 PolarHBondContact O-N 3.29Å; N169-M172 WeakPolarHBondContact O-CB 3.37Å; N169-M172 PolarHBondContact O-N 2.99Å; N169-M172 VanDerWaalsContact O-N 3.1Å; N169-D173 VanDerWaalsContact O-CG 3.26Å; N169-D173 PolarHBondContact O-N 3.33Å
170Q57.1Low48.2Very low147 Ų14781.3 Ų81.369%0.68744%0.44SS*.Hα-helixtrans-59.1-31.2170.8-70-176.2-20.300114L168 F174L168-Q170 PolarHBondContact O-N 3.2Å; Q170-F174 WeakPolarHBondContact O-CB 3.5Å; Q170-F174 PolarHBondContact O-N 3Å
171L51.4Low48.1Very low40 Ų4084.4 Ų84.421%0.20945%0.449CS..Hα-helixtrans-73.5-40174.6-171.567.5000111.6L168 N169 D173 F174 V175L168-L171 HydrophobicContact CD1-CB 4.47Å; L168-L171 HydrophobicContact CD1-CD2 3.85Å; L168-L171 HydrophobicContact CG-CB 4.31Å; L168-L171 HydrophobicContact CG-CD2 4.4Å; L168-L171 WeakPolarHBondContact O-CA 3.4Å; L168-L171 WeakPolarHBondContact O-CB 3.38Å; L168-L171 PolarHBondContact O-N 3.45Å; N169-L171 VanDerWaalsContact C-N 3.25Å; N169-L171 PolarHBondContact O-N 3.29Å; L171-D173 VanDerWaalsContact C-N 3.34Å; L171-F174 HydrophobicContact CD1-CD1 4.44Å; L171-F174 PolarHBondContact O-N 3.45Å; L171-V175 WeakPolarHBondContact O-CG2 3.46Å; L171-V175 PolarHBondContact O-N 2.94Å
172M52.9Low48.1Very low48 Ų4885.4 Ų85.424%0.23646%0.459CS..Hα-helixtrans-65-38.3174.2-67.4-59.7-63.700111.7F34 N39 L168 N169 V175 R176F34-M172 HydrophobicContact CZ-CE 4.11Å; F34-M172 HydrophobicContact CZ-SD 4.42Å; N39-M172 WeakPolarHBondContact OD1-CE 3.45Å; L168-M172 PolarHBondContact O-N 3.35Å; N169-M172 WeakPolarHBondContact O-CB 3.37Å; N169-M172 PolarHBondContact O-N 2.99Å; N169-M172 VanDerWaalsContact O-N 3.1Å; M172-V175 PolarHBondContact O-N 3.26Å; M172-R176 WeakPolarHBondContact O-CB 3.33Å; M172-R176 PolarHBondContact O-N 3.44Å
173D60.7Low48Very low78 Ų7888.8 Ų88.842%0.41747%0.472SS..Hα-helixtrans-69.2-38.1174.4-63.8-33.7000111.5N169 L171 R176 A177N169-D173 VanDerWaalsContact O-CG 3.26Å; N169-D173 PolarHBondContact O-N 3.33Å; L171-D173 VanDerWaalsContact C-N 3.34Å; D173-R176 PolarHBondContact O-N 3.42Å; D173-R176 IonicContact OD1-CZ 2.76Å; D173-R176 IonicContact OD1-NH1 3.66Å; D173-R176 PolarHBondContact OD1-NH1 3.28Å; D173-A177 WeakPolarHBondContact O-CB 3.48Å; D173-A177 PolarHBondContact O-N 3.47Å
174F57.6Low47.9Very low78 Ų7890.6 Ų90.634%0.34249%0.487SS..Hα-helixtrans-61.6-41.9169.9173.7-99.2000112.2Q170 L171 S178Q170-F174 WeakPolarHBondContact O-CB 3.5Å; Q170-F174 PolarHBondContact O-N 3Å; L171-F174 HydrophobicContact CD1-CD1 4.44Å; L171-F174 PolarHBondContact O-N 3.45Å; F174-S178 VanDerWaalsContact O-CB 3.24Å; F174-S178 WeakPolarHBondContact O-CB 3.33Å; F174-S178 PolarHBondContact O-N 3.22Å; F174-S178 PolarHBondContact O-OG 3.28Å
175V53.2Low47.8Very low38 Ų3895.8 Ų95.823%0.2351%0.513CS..Hα-helixtrans-62.1-45174.3169.50000110.7I101 L171 M172 S178I101-V175 HydrophobicContact CD1-CG1 4.04Å; I101-V175 HydrophobicContact CD1-CG2 3.67Å; L171-V175 WeakPolarHBondContact O-CG2 3.46Å; L171-V175 PolarHBondContact O-N 2.94Å; M172-V175 PolarHBondContact O-N 3.26Å; V175-S178 PolarHBondContact O-N 2.95Å; V175-S178 PolarHBondContact O-OG 2.96Å
176R62.7Low47.7Very low135 Ų13598.6 Ų98.651%0.50954%0.535SS..Hα-helixtrans-61.8-54.8177.8-168.4180-61.1124.27.2111.9M172 D173 S178 N179 E180M172-R176 WeakPolarHBondContact O-CB 3.33Å; M172-R176 PolarHBondContact O-N 3.44Å; D173-R176 PolarHBondContact O-N 3.42Å; D173-R176 IonicContact OD1-CZ 2.76Å; D173-R176 IonicContact OD1-NH1 3.66Å; D173-R176 PolarHBondContact OD1-NH1 3.28Å; R176-S178 VanDerWaalsContact C-N 3.27Å; R176-S178 PolarHBondContact O-N 3.13Å; R176-N179 WeakPolarHBondContact O-CB 3.29Å; R176-N179 PolarHBondContact O-N 3.09Å; R176-E180 PolarHBondContact O-N 3.38Å
177A58.7Low47.5Very low53 Ų5396.2 Ų96.244%0.43854%0.536SS..Hα-helixtrans-59-36.7178.600000112.5D173 N179 E180D173-A177 WeakPolarHBondContact O-CB 3.48Å; D173-A177 PolarHBondContact O-N 3.47Å; A177-N179 PolarHBondContact O-N 3.06Å; A177-N179 VanDerWaalsContact O-N 3.11Å; A177-E180 PolarHBondContact O-N 3.23Å
178S48.2Very low47.2Very low48 Ų48101.9 Ų101.934%0.33656%0.557SS.*THydrogen-bonded Turntrans-64.8-12.7175.975.90000114.5K95 F174 V175 R176K95-S178 PolarHBondContact NZ-OG 3.47Å; F174-S178 VanDerWaalsContact O-CB 3.24Å; F174-S178 WeakPolarHBondContact O-CB 3.33Å; F174-S178 PolarHBondContact O-N 3.22Å; F174-S178 PolarHBondContact O-OG 3.28Å; V175-S178 PolarHBondContact O-N 2.95Å; V175-S178 PolarHBondContact O-OG 2.96Å; R176-S178 VanDerWaalsContact C-N 3.27Å; R176-S178 PolarHBondContact O-N 3.13Å
179N44.2Very low46.7Very low137 Ų137107.3 Ų107.373%0.73359%0.594SS**THydrogen-bonded Turntrans-105.7-7-179-155.451.9000113.3R176 A177R176-N179 WeakPolarHBondContact O-CB 3.29Å; R176-N179 PolarHBondContact O-N 3.09Å; A177-N179 PolarHBondContact O-N 3.06Å; A177-N179 VanDerWaalsContact O-N 3.11Å
180E48.1Very low46.1Very low127 Ų127108.3 Ų108.359%0.59361%0.608SS**THydrogen-bonded Turntrans-97.4-14.9-175.9-72.5174.3-179.600113.4R176 A177 S182 K183R176-E180 PolarHBondContact O-N 3.38Å; A177-E180 PolarHBondContact O-N 3.23Å; E180-S182 PolarHBondContact O-N 3.26Å; E180-K183 PolarHBondContact O-N 3.38Å
181N40.4Very low44.9Very low149 Ų149111.2 Ų111.280%0.79762%0.619SS**THydrogen-bonded Turntrans-69.340.9174.3-80.1-15.7000114.1
182S41.3Very low44.3Very low113 Ų113116 Ų11679%0.7965%0.649SS**THydrogen-bonded Turntrans-143.810.6177.2-660000114E180E180-S182 PolarHBondContact O-N 3.26Å
183K36.7Very low43.3Very low199 Ų199120.4 Ų120.487%0.86567%0.673SS**SBendtrans-134.4126.2167.6-76.1-176.2176.3175.30111.2E180E180-K183 PolarHBondContact O-N 3.38Å
184S36.4Very low42.2Very low107 Ų107124 Ų12475%0.74869%0.693SS**  trans-89.8134.7-175.354.30000113.6
185N32.9Very low41Very low163 Ų163127.2 Ų127.287%0.87271%0.714SS**  trans44.6109.7146.4-57.8-7.2000119.9
186S36.4Very low40Very low110 Ų110131 Ų13177%0.76974%0.737SS**  trans-158.7122.3130.5-1640000114.1
187S38.4Very low38.6Very low91 Ų91130.3 Ų130.364%0.63675%0.752SS**  trans47.9114.5144.8620000122.8
188N37.9Very low37.4Very low159 Ų159134.3 Ų134.385%0.8577%0.766SS**  trans64.1115133.2-58.7-5000121.5
189P34.2Very low37Very low137 Ų137139.7 Ų139.789%0.8979%0.786SS**  trans-94.4128.9161.334.7-28.6000112.4
190S37.8Very low36.8Very low118 Ų118142.7 Ų142.783%0.82579%0.793SS**  trans-116.3141167.653.80000111V192S190-V192 PolarHBondContact O-N 3.13Å
191K33.7Very low36.6Very low208 Ų208144.9 Ų144.990%0.90480%0.803SS**  trans-68.4124.8-174.4-66.3174.2177.1176.20112.2
192V37.6Very low37.2Very low140 Ų140139.9 Ų139.985%0.84879%0.786SS**  trans-140.8139.1143.3-166.40000107.4S190S190-V192 PolarHBondContact O-N 3.13Å
193N32.8Very low37.9Very low140 Ų140138.5 Ų138.575%0.74978%0.775SS**  trans-81147.8170.8-59.2-26.1000109.2
194D37.3Very low38.8Very low155 Ų155130.2 Ų130.283%0.82974%0.742SS**  -162.9163.1125.8-114.2-35.2000114.3
195N31.9Very low39.9Very low145 Ų145125.9 Ų125.978%0.77571%0.71SS**  trans-101.399.6-161.8-58.7-88.6000113.9
196V31.9Very low41Very low117 Ų117119.6 Ų119.671%0.70968%0.675SS**  trans-145.486.7153.4-170.10000111.1N198V196-N198 PolarHBondContact O-N 3.42Å; V196-N198 VanDerWaalsContact O-N 3.11Å
197S33.5Very low42.3Very low120 Ų120118.7 Ų118.784%0.83966%0.662SS**  trans-81.281.3167.647.50000110.7H199S197-H199 PolarHBondContact O-N 2.83Å
198N34.1Very low43.7Very low137 Ų137116 Ų11673%0.73364%0.64SS**  trans-62.297.1171.2-85.6-22.6000110V196 F200V196-N198 PolarHBondContact O-N 3.42Å; V196-N198 VanDerWaalsContact O-N 3.11Å; N198-F200 PolarHBondContact O-N 2.82Å
199H39.5Very low45.1Very low161 Ų161108.7 Ų108.775%0.74560%0.6SS**  trans-72.796.3-177.4-160.5-92.1000109.7S197 E201S197-H199 PolarHBondContact O-N 2.83Å; H199-E201 PolarHBondContact O-N 2.9Å
200F39.6Very low46.6Very low200 Ų200107.4 Ų107.488%0.87758%0.582SS**  trans-73.788.1-178.8-126.7-88.9000109.9N198 G202N198-F200 PolarHBondContact O-N 2.82Å; F200-G202 PolarHBondContact O-N 3.49Å
201E44.4Very low48.2Very low174 Ų174107.3 Ų107.381%0.81357%0.567SS**  trans-71.467.8175.4-66.6-168.313400111.7H199H199-E201 PolarHBondContact O-N 2.9Å
202G52.8Low49.4Very low43 Ų4398 Ų9844%0.44353%0.529SS..PPolyproline II helixtrans-67.2147.4157.100000110F200F200-G202 PolarHBondContact O-N 3.49Å
203P55.9Low50.7Low85 Ų8594 Ų9455%0.55250%0.501SS*.PPolyproline II helixtrans-58.2142.8174.926.2-34.4000110.3D207 M208P203-D207 HydrophobicContact CB-CB 4.28Å; P203-M208 HydrophobicContact CB-CG 4.31Å; P203-M208 HydrophobicContact CG-CG 4.04Å; P203-M208 HydrophobicContact CG-SD 4.34Å
204S56.3Low52.3Low25 Ų2589.4 Ų89.418%0.17548%0.482CS..PPolyproline II helixtrans-60152.6178.4-174.50000110.2F206 D207 M208S204-F206 PolarHBondContact O-N 3.01Å; S204-F206 VanDerWaalsContact O-N 3.12Å; S204-D207 WeakPolarHBondContact CB-OD2 3.27Å; S204-D207 PolarHBondContact N-OD2 3.43Å; S204-D207 WeakPolarHBondContact O-CA 3.49Å; S204-D207 WeakPolarHBondContact O-CB 3.45Å; S204-D207 PolarHBondContact O-N 3.41Å; S204-M208 PolarHBondContact O-N 2.92Å
205I58.1Low53.6Low16 Ų1685.9 Ų85.98%0.08246%0.463CS..Hα-helixtrans-55.9-32.6173-161170.1000111.4W41 L168 M208 L209W41-I205 HydrophobicContact CZ2-CD1 4.06Å; L168-I205 HydrophobicContact CD1-CD1 4.09Å; L168-I205 HydrophobicContact CD1-CG2 3.68Å; L168-I205 HydrophobicContact CD2-CB 3.5Å; L168-I205 VanDerWaalsContact CD2-CB 3.5Å; L168-I205 HydrophobicContact CD2-CD1 3.93Å; L168-I205 HydrophobicContact CD2-CG1 4.3Å; L168-I205 HydrophobicContact CD2-CG2 3.32Å; L168-I205 HydrophobicContact CG-CG2 3.98Å; I205-M208 PolarHBondContact O-N 3.27Å; I205-L209 HydrophobicContact CG1-CD1 4.04Å; I205-L209 HydrophobicContact CG1-CG 4.25Å; I205-L209 WeakPolarHBondContact O-CB 3.46Å; I205-L209 VanDerWaalsContact O-CG 3.25Å; I205-L209 WeakPolarHBondContact O-CG 3.35Å; I205-L209 PolarHBondContact O-N 3.06Å
206F56.2Low54.8Low30 Ų3082 Ų8213%0.13244%0.44CS..Hα-helixtrans-73.3-34.7179.8-57.5-68.7000111.1H88 V164 L168 S204 M208 H210H88-F206 AromaticContact CD2-CE1 3.68Å; H88-F206 AromaticContact CE1-CE1 3.65Å; H88-F206 AromaticContact NE2-CE1 3.31Å; H88-F206 VanDerWaalsContact NE2-CE1 3.31Å; H88-F206 WeakPolarHBondContact NE2-CE1 3.41Å; H88-F206 AromaticContact NE2-CZ 3.92Å; V164-F206 HydrophobicContact CB-CD2 3.95Å; V164-F206 HydrophobicContact CB-CE2 3.8Å; V164-F206 HydrophobicContact CB-CZ 4.48Å; V164-F206 HydrophobicContact CG1-CD1 4.49Å; V164-F206 HydrophobicContact CG1-CD2 3.75Å; V164-F206 HydrophobicContact CG1-CE1 4.11Å; V164-F206 HydrophobicContact CG1-CE2 3.29Å; V164-F206 HydrophobicContact CG1-CG 4.34Å; V164-F206 HydrophobicContact CG1-CZ 3.5Å; V164-F206 VanDerWaalsContact CG1-CZ 3.5Å; L168-F206 HydrophobicContact CB-CE2 4.46Å; L168-F206 HydrophobicContact CD1-CE2 4.39Å; L168-F206 HydrophobicContact CD1-CZ 4.14Å; S204-F206 PolarHBondContact O-N 3.01Å; S204-F206 VanDerWaalsContact O-N 3.12Å; F206-M208 VanDerWaalsContact C-N 3.35Å; F206-H210 VanDerWaalsContact O-CB 3.27Å; F206-H210 WeakPolarHBondContact O-CB 3.28Å; F206-H210 PolarHBondContact O-CD2 3.08Å; F206-H210 PolarHBondContact O-N 2.84Å
207D64.7Low56.3Low92 Ų9281.1 Ų81.149%0.49243%0.431SS..Hα-helixtrans-65.1-41.3169.8-51.5-35.4000110.3P203 S204 K211P203-D207 HydrophobicContact CB-CB 4.28Å; S204-D207 WeakPolarHBondContact CB-OD2 3.27Å; S204-D207 PolarHBondContact N-OD2 3.43Å; S204-D207 WeakPolarHBondContact O-CA 3.49Å; S204-D207 WeakPolarHBondContact O-CB 3.45Å; S204-D207 PolarHBondContact O-N 3.41Å; D207-K211 WeakPolarHBondContact O-CB 3.33Å; D207-K211 PolarHBondContact O-N 3.46Å
208M68.5Low57.5Low35 Ų3579.6 Ų79.617%0.17242%0.421CS..Hα-helixtrans-67.3-41.3176.9-69.9-165.4-82.900113A40 P203 S204 I205 F206 K211 A212A40-M208 HydrophobicContact CB-SD 4.16Å; P203-M208 HydrophobicContact CB-CG 4.31Å; P203-M208 HydrophobicContact CG-CG 4.04Å; P203-M208 HydrophobicContact CG-SD 4.34Å; S204-M208 PolarHBondContact O-N 2.92Å; I205-M208 PolarHBondContact O-N 3.27Å; F206-M208 VanDerWaalsContact C-N 3.35Å; M208-K211 PolarHBondContact O-N 3.49Å; M208-A212 VanDerWaalsContact O-CB 3.29Å; M208-A212 WeakPolarHBondContact O-CB 3.4Å; M208-A212 PolarHBondContact O-N 2.84Å
209L66.5Low58.2Low4 Ų475.6 Ų75.62%0.02141%0.411CS..Hα-helixtrans-73.2-41.3179.1-70.5174.4000111.7W41 F91 I205 A212 E213W41-L209 HydrophobicContact CG-CD2 4.46Å; F91-L209 HydrophobicContact CD1-CD2 4.07Å; F91-L209 HydrophobicContact CD2-CD1 4.43Å; F91-L209 HydrophobicContact CE1-CB 4.24Å; F91-L209 HydrophobicContact CE1-CD2 3.79Å; F91-L209 HydrophobicContact CE1-CG 4.44Å; F91-L209 HydrophobicContact CE2-CB 4.11Å; F91-L209 HydrophobicContact CG-CD1 4.47Å; F91-L209 HydrophobicContact CZ-CB 3.79Å; F91-L209 HydrophobicContact CZ-CD2 4.25Å; F91-L209 HydrophobicContact CZ-CG 4.44Å; I205-L209 HydrophobicContact CG1-CD1 4.04Å; I205-L209 HydrophobicContact CG1-CG 4.25Å; I205-L209 WeakPolarHBondContact O-CB 3.46Å; I205-L209 VanDerWaalsContact O-CG 3.25Å; I205-L209 WeakPolarHBondContact O-CG 3.35Å; I205-L209 PolarHBondContact O-N 3.06Å; L209-A212 WeakPolarHBondContact O-CB 3.25Å; L209-A212 PolarHBondContact O-N 3.34Å; L209-E213 WeakPolarHBondContact O-CB 3.36Å; L209-E213 PolarHBondContact O-N 2.89Å
210H65.8Low58.4Low111 Ų11172.8 Ų72.851%0.51441%0.41SS..Hα-helixtrans-68.4-32.1170.7-75.1-54.4000112.4F206 A212 E213 A214F206-H210 VanDerWaalsContact O-CB 3.27Å; F206-H210 WeakPolarHBondContact O-CB 3.28Å; F206-H210 PolarHBondContact O-CD2 3.08Å; F206-H210 PolarHBondContact O-N 2.84Å; H210-A212 VanDerWaalsContact C-N 3.35Å; H210-E213 IonicContact CE1-OE2 3.77Å; H210-E213 IonicContact CG-OE2 2.67Å; H210-E213 IonicContact ND1-OE2 3.54Å; H210-E213 PolarHBondContact ND1-OE2 3.25Å; H210-E213 PolarHBondContact O-N 3.43Å; H210-A214 VanDerWaalsContact O-CB 3.27Å; H210-A214 WeakPolarHBondContact O-CB 3.27Å; H210-A214 PolarHBondContact O-N 2.78Å
211K71.9Confident58.2Low115 Ų11570.5 Ų70.550%0.541%0.407SS..Hα-helixtrans-64.8-40.7170.2-177.972.9-135.8-50.80111D207 M208 A214 D215D207-K211 WeakPolarHBondContact O-CB 3.33Å; D207-K211 PolarHBondContact O-N 3.46Å; M208-K211 PolarHBondContact O-N 3.49Å; K211-A214 PolarHBondContact O-N 3.49Å; K211-D215 VanDerWaalsContact CE-CG 3.5Å; K211-D215 WeakPolarHBondContact CE-OD1 3.37Å; K211-D215 WeakPolarHBondContact CE-OD2 3.34Å; K211-D215 IonicContact NZ-OD1 2.76Å; K211-D215 PolarHBondContact NZ-OD1 3.25Å; K211-D215 IonicContact NZ-OD2 3.79Å; K211-D215 PolarHBondContact NZ-OD2 2.87Å; K211-D215 WeakPolarHBondContact O-CB 3.24Å; K211-D215 VanDerWaalsContact O-CG 3.3Å; K211-D215 PolarHBondContact O-N 2.87Å
212A58.7Low57.8Low13 Ų1373 Ų7311%0.10741%0.409CS..Hα-helixtrans-66.9-37.3177.100000113.1Y32 M208 L209 H210 F216Y32-A212 HydrophobicContact CD1-CB 4.06Å; Y32-A212 HydrophobicContact CE1-CB 3.56Å; Y32-A212 PolarHBondContact OH-O 3.49Å; M208-A212 VanDerWaalsContact O-CB 3.29Å; M208-A212 WeakPolarHBondContact O-CB 3.4Å; M208-A212 PolarHBondContact O-N 2.84Å; L209-A212 WeakPolarHBondContact O-CB 3.25Å; L209-A212 PolarHBondContact O-N 3.34Å; H210-A212 VanDerWaalsContact C-N 3.35Å; A212-F216 WeakPolarHBondContact O-CB 3.43Å; A212-F216 PolarHBondContact O-N 2.9Å
213E63.4Low56.8Low56 Ų5676.8 Ų76.826%0.26243%0.429SS..Hα-helixtrans-63.4-48.2168.5174.8-178.3-145.300111.5L209 H210 D215 F216 N217L209-E213 WeakPolarHBondContact O-CB 3.36Å; L209-E213 PolarHBondContact O-N 2.89Å; H210-E213 IonicContact CE1-OE2 3.77Å; H210-E213 IonicContact CG-OE2 2.67Å; H210-E213 IonicContact ND1-OE2 3.54Å; H210-E213 PolarHBondContact ND1-OE2 3.25Å; H210-E213 PolarHBondContact O-N 3.43Å; E213-D215 PolarHBondContact O-N 3.21Å; E213-F216 WeakPolarHBondContact O-CA 3.49Å; E213-F216 WeakPolarHBondContact O-CB 3.45Å; E213-F216 PolarHBondContact O-N 3.12Å; E213-F216 VanDerWaalsContact O-N 3.08Å; E213-N217 PolarHBondContact O-N 3Å; E213-N217 PolarHBondContact O-ND2 3.12Å
214A68.4Low55.8Low43 Ų4378.7 Ų78.736%0.35544%0.439SS..Hα-helixtrans-63.2-40.1176.900000112.5H210 K211 F216 N217 S218H210-A214 VanDerWaalsContact O-CB 3.27Å; H210-A214 WeakPolarHBondContact O-CB 3.27Å; H210-A214 PolarHBondContact O-N 2.78Å; K211-A214 PolarHBondContact O-N 3.49Å; A214-F216 VanDerWaalsContact C-N 3.28Å; A214-F216 PolarHBondContact O-N 2.91Å; A214-N217 PolarHBondContact O-N 3.21Å; A214-S218 WeakPolarHBondContact O-CB 3.41Å; A214-S218 PolarHBondContact O-N 2.79Å; A214-S218 PolarHBondContact O-OG 3.29Å
215D62.8Low55Low81 Ų8182.6 Ų82.643%0.43347%0.466SS..Hα-helixtrans-70.4-22173.6-74.5-25.4000112.5K211 E213K211-D215 VanDerWaalsContact CE-CG 3.5Å; K211-D215 WeakPolarHBondContact CE-OD1 3.37Å; K211-D215 WeakPolarHBondContact CE-OD2 3.34Å; K211-D215 IonicContact NZ-OD1 2.76Å; K211-D215 PolarHBondContact NZ-OD1 3.25Å; K211-D215 IonicContact NZ-OD2 3.79Å; K211-D215 PolarHBondContact NZ-OD2 2.87Å; K211-D215 WeakPolarHBondContact O-CB 3.24Å; K211-D215 VanDerWaalsContact O-CG 3.3Å; K211-D215 PolarHBondContact O-N 2.87Å; E213-D215 PolarHBondContact O-N 3.21Å
216F57.5Low53.7Low63 Ų6391.5 Ų91.528%0.27651%0.507SS..Hα-helixtrans-72-55.9168.1-175.2-82.9000110.5H30 W105 A212 E213 A214 S218 G219H30-F216 AromaticContact CD2-CE2 3.61Å; H30-F216 AromaticContact CE1-CE2 3.59Å; H30-F216 AromaticContact CE1-CZ 3.74Å; H30-F216 AromaticContact CG-CE2 3.83Å; H30-F216 AromaticContact ND1-CE2 3.81Å; H30-F216 AromaticContact NE2-CE2 3.46Å; H30-F216 WeakPolarHBondContact NE2-CE2 3.39Å; H30-F216 AromaticContact NE2-CZ 3.97Å; W105-F216 HydrophobicContact CH2-CE1 4.46Å; W105-F216 HydrophobicContact CZ3-CE1 4.35Å; W105-F216 HydrophobicContact CZ3-CZ 4.48Å; A212-F216 WeakPolarHBondContact O-CB 3.43Å; A212-F216 PolarHBondContact O-N 2.9Å; E213-F216 WeakPolarHBondContact O-CA 3.49Å; E213-F216 WeakPolarHBondContact O-CB 3.45Å; E213-F216 PolarHBondContact O-N 3.12Å; E213-F216 VanDerWaalsContact O-N 3.08Å; A214-F216 VanDerWaalsContact C-N 3.28Å; A214-F216 PolarHBondContact O-N 2.91Å; F216-S218 VanDerWaalsContact C-N 3.35Å; F216-S218 PolarHBondContact O-N 2.89Å; F216-G219 PolarHBondContact O-N 2.88Å; F216-G219 VanDerWaalsContact O-N 3.07Å
217N63.9Low53.1Low100 Ų10094.3 Ų94.354%0.53553%0.531SS..Hα-helixtrans-64.3-36.8-176.7-66.8-27.7000112.6E213 A214 G219E213-N217 PolarHBondContact O-N 3Å; E213-N217 PolarHBondContact O-ND2 3.12Å; A214-N217 PolarHBondContact O-N 3.21Å; N217-G219 PolarHBondContact O-N 3.21Å
218S59.5Low51.8Low88 Ų8897.5 Ų97.562%0.61554%0.542SS*.G310 helixtrans-68.9-16.2176.2-56.10000113.6A214 F216 S220A214-S218 WeakPolarHBondContact O-CB 3.41Å; A214-S218 PolarHBondContact O-N 2.79Å; A214-S218 PolarHBondContact O-OG 3.29Å; F216-S218 VanDerWaalsContact C-N 3.35Å; F216-S218 PolarHBondContact O-N 2.89Å; S218-S220 VanDerWaalsContact C-N 3.26Å; S218-S220 PolarHBondContact O-N 2.92Å
219G47.8Very low50.8Low52 Ų52101.4 Ų101.454%0.53656%0.563SS.*G310 helixtrans-69.8-15-175.300000115.5F216 N217 N221F216-G219 PolarHBondContact O-N 2.88Å; F216-G219 VanDerWaalsContact O-N 3.07Å; N217-G219 PolarHBondContact O-N 3.21Å; G219-N221 PolarHBondContact O-N 3.36Å
220S43.9Very low50.2Low103 Ų103103.4 Ų103.472%0.7258%0.575SS**G310 helixtrans-78.3-14.1-173.5-160.90000114.9S218S218-S220 VanDerWaalsContact C-N 3.26Å; S218-S220 PolarHBondContact O-N 2.92Å
221N35.4Very low49.6Very low152 Ų152103.4 Ų103.481%0.81358%0.582SS**G310 helixtrans-10837.5-171.1-73.6-16.3000114G219G219-N221 PolarHBondContact O-N 3.36Å
222R36.6Very low49Very low225 Ų225105.4 Ų105.485%0.84959%0.591SS**  trans-94.5105.8163-79.1-167.7174.6-161.1-1.4109.9V224R222-V224 VanDerWaalsContact C-N 3.33Å; R222-V224 PolarHBondContact O-N 2.92Å
223S31.1Very low49.2Very low124 Ų124109 Ų10987%0.86761%0.608SS**  trans-65.989.1168.853.80000110.4S225S223-S225 PolarHBondContact O-N 3.1Å
224V35.2Very low49.1Very low125 Ų125110.3 Ų110.376%0.75862%0.615SS**PPolyproline II helixtrans-74119.9166-179.50000107.4R222R222-V224 VanDerWaalsContact C-N 3.33Å; R222-V224 PolarHBondContact O-N 2.92Å
225S38.7Very low48.4Very low107 Ų107111.8 Ų111.875%0.74862%0.616SS**PPolyproline II helixtrans-60144.2174.334.40000110.8S223 S227S223-S225 PolarHBondContact O-N 3.1Å; S225-S227 PolarHBondContact O-N 3.33Å; S225-S227 VanDerWaalsContact O-N 3.17Å
226Q32.1Very low48.3Very low202 Ų202112.2 Ų112.294%0.94462%0.616SS**PPolyproline II helixtrans-63.5116.1-169.7-67.2163-40.500112
227S41.9Very low48.4Very low89 Ų89117.2 Ų117.262%0.62263%0.633SS**  trans-119135.5149.765.20000108.3S225 I229S225-S227 PolarHBondContact O-N 3.33Å; S225-S227 VanDerWaalsContact O-N 3.17Å; S227-I229 VanDerWaalsContact C-N 3.3Å; S227-I229 PolarHBondContact O-N 2.97Å
228H37.9Very low47.9Very low160 Ų160117.2 Ų117.274%0.74163%0.628SS**  trans-80.275-165.5-172.1-79.6000111.5T230H228-T230 PolarHBondContact CE1-OG1 3.28Å; H228-T230 PolarHBondContact ND1-OG1 3.34Å; H228-T230 PolarHBondContact O-N 2.89Å; H228-T230 PolarHBondContact O-OG1 3.27Å
229I47.3Very low47.9Very low117 Ų117117.8 Ų117.860%0.662%0.617SS**  trans-7181171.3-56.4177.5000108.2S227 V231 E234S227-I229 VanDerWaalsContact C-N 3.3Å; S227-I229 PolarHBondContact O-N 2.97Å; I229-V231 PolarHBondContact O-N 3.45Å; I229-E234 HydrophobicContact CG2-CG 4.07Å
230T55.1Low48.7Very low46 Ų46120 Ų12028%0.28262%0.62SS.*  trans-57.5134.3175.4-37.60000109.3H228 K232 N233H228-T230 PolarHBondContact CE1-OG1 3.28Å; H228-T230 PolarHBondContact ND1-OG1 3.34Å; H228-T230 PolarHBondContact O-N 2.89Å; H228-T230 PolarHBondContact O-OG1 3.27Å; T230-K232 HydrophobicContact CG2-CB 4Å; T230-K232 HydrophobicContact CG2-CD 4.45Å; T230-K232 HydrophobicContact CG2-CG 4.16Å; T230-K232 PolarHBondContact O-N 3.48Å; T230-N233 WeakPolarHBondContact O-CB 3.34Å; T230-N233 PolarHBondContact O-N 2.74Å
231V53.4Low49.2Very low110 Ų110119 Ų11967%0.66762%0.618SS**Hα-helixtrans-51.6-31.5175.3-179.80000112I229 N233 E234 L235I229-V231 PolarHBondContact O-N 3.45Å; V231-N233 VanDerWaalsContact C-N 3.28Å; V231-N233 PolarHBondContact O-N 3.24Å; V231-E234 PolarHBondContact O-N 3.11Å; V231-L235 HydrophobicContact CG1-CD1 3.94Å; V231-L235 HydrophobicContact CG1-CG 4.21Å; V231-L235 WeakPolarHBondContact O-CB 3.33Å; V231-L235 WeakPolarHBondContact O-CG 3.19Å; V231-L235 PolarHBondContact O-N 3.26Å
232K58Low50.2Low157 Ų157114.7 Ų114.768%0.68360%0.599SS**Hα-helixtrans-54.8-35.5172.3-68.2-175.1177-179.30114.1T230 Q236T230-K232 HydrophobicContact CG2-CB 4Å; T230-K232 HydrophobicContact CG2-CD 4.45Å; T230-K232 HydrophobicContact CG2-CG 4.16Å; T230-K232 PolarHBondContact O-N 3.48Å; K232-Q236 WeakPolarHBondContact O-CB 3.39Å; K232-Q236 PolarHBondContact O-N 3.44Å
233N63.3Low50.8Low88 Ų88111.3 Ų111.347%0.47160%0.598SS.*Hα-helixtrans-75.9-41.8-175.2-64.67.7000111.2T230 V231 Q236 R237T230-N233 WeakPolarHBondContact O-CB 3.34Å; T230-N233 PolarHBondContact O-N 2.74Å; V231-N233 VanDerWaalsContact C-N 3.28Å; V231-N233 PolarHBondContact O-N 3.24Å; N233-Q236 PolarHBondContact O-N 2.86Å; N233-R237 WeakPolarHBondContact O-CG 3.47Å; N233-R237 PolarHBondContact O-N 2.97Å
234E60.9Low51.4Low84 Ų84109.1 Ų109.139%0.39358%0.576SS.*Hα-helixtrans-71.6-37.2173.1-68.1-53.8136.200112I229 V231 Q236 R237 F238I229-E234 HydrophobicContact CG2-CG 4.07Å; V231-E234 PolarHBondContact O-N 3.11Å; E234-Q236 PolarHBondContact O-N 3.26Å; E234-R237 PolarHBondContact O-N 2.93Å; E234-R237 WeakPolarHBondContact OE1-CD 3.34Å; E234-R237 IonicContact OE1-CZ 3.73Å; E234-R237 IonicContact OE1-NE 2.64Å; E234-R237 IonicContact OE1-NH1 2.77Å; E234-R237 PolarHBondContact OE1-NH1 3.33Å; E234-R237 WeakPolarHBondContact OE2-CD 3.33Å; E234-R237 IonicContact OE2-NH1 3.94Å; E234-F238 WeakPolarHBondContact O-CB 3.04Å; E234-F238 PolarHBondContact O-N 2.82Å
235L54.1Low51.8Low75 Ų75108.9 Ų108.939%0.39358%0.577SS.*Hα-helixtrans-56.6-39.5168.5-80.1170.4000112V231 F238 R239V231-L235 HydrophobicContact CG1-CD1 3.94Å; V231-L235 HydrophobicContact CG1-CG 4.21Å; V231-L235 WeakPolarHBondContact O-CB 3.33Å; V231-L235 WeakPolarHBondContact O-CG 3.19Å; V231-L235 PolarHBondContact O-N 3.26Å; L235-F238 PolarHBondContact O-N 3.15Å; L235-R239 WeakPolarHBondContact O-CG 3.29Å; L235-R239 PolarHBondContact O-N 2.96Å
236Q60.1Low52.1Low89 Ų89108.2 Ų108.242%0.41657%0.568SS.*Hα-helixtrans-70.8-42.1177.9-162.964.49.100112K232 N233 E234 F238 R239 T240K232-Q236 WeakPolarHBondContact O-CB 3.39Å; K232-Q236 PolarHBondContact O-N 3.44Å; N233-Q236 PolarHBondContact O-N 2.86Å; E234-Q236 PolarHBondContact O-N 3.26Å; Q236-F238 VanDerWaalsContact C-N 3.29Å; Q236-F238 PolarHBondContact O-N 2.95Å; Q236-R239 PolarHBondContact O-N 3.33Å; Q236-T240 PolarHBondContact O-N 2.84Å; Q236-T240 PolarHBondContact O-OG1 3.2Å; Q236-T240 VanDerWaalsContact O-OG1 3.09Å
237R60.9Low52.5Low168 Ų168104 Ų10463%0.63456%0.561SS**Hα-helixtrans-56.4-43.6171.6-74.7169.6167.2-174.4-6.3111.6N233 E234 T240 A241N233-R237 WeakPolarHBondContact O-CG 3.47Å; N233-R237 PolarHBondContact O-N 2.97Å; E234-R237 PolarHBondContact O-N 2.93Å; E234-R237 WeakPolarHBondContact OE1-CD 3.34Å; E234-R237 IonicContact OE1-CZ 3.73Å; E234-R237 IonicContact OE1-NE 2.64Å; E234-R237 IonicContact OE1-NH1 2.77Å; E234-R237 PolarHBondContact OE1-NH1 3.33Å; E234-R237 WeakPolarHBondContact OE2-CD 3.33Å; E234-R237 IonicContact OE2-NH1 3.94Å; R237-T240 PolarHBondContact O-N 3.4Å; R237-A241 WeakPolarHBondContact O-CB 3.34Å; R237-A241 PolarHBondContact O-N 3.43Å
238F51.7Low52.3Low100 Ų100107 Ų10744%0.43957%0.57SS.*Hα-helixtrans-64.7-46.6177.9-164.4-87.1000112.3P71 E234 L235 Q236 T240 A241 C242P71-F238 HydrophobicContact CG-CE2 4.07Å; E234-F238 WeakPolarHBondContact O-CB 3.04Å; E234-F238 PolarHBondContact O-N 2.82Å; L235-F238 PolarHBondContact O-N 3.15Å; Q236-F238 VanDerWaalsContact C-N 3.29Å; Q236-F238 PolarHBondContact O-N 2.95Å; F238-T240 PolarHBondContact O-N 3.09Å; F238-A241 PolarHBondContact O-N 3.31Å; F238-C242 WeakPolarHBondContact O-CB 3.43Å; F238-C242 PolarHBondContact O-N 3.35Å; F238-C242 PolarHBondContact O-SG 3.42Å
239R61.6Low52.2Low100 Ų100102.9 Ų102.938%0.37757%0.571SS.*Hα-helixtrans-57.7-46175.7-73.6172.5-170.9130.13.7112.4L235 Q236 C242 N243 L244L235-R239 WeakPolarHBondContact O-CG 3.29Å; L235-R239 PolarHBondContact O-N 2.96Å; Q236-R239 PolarHBondContact O-N 3.33Å; R239-C242 PolarHBondContact O-N 2.99Å; R239-N243 PolarHBondContact O-N 3.26Å; R239-L244 PolarHBondContact O-N 3.49Å
240T63.8Low51.6Low99 Ų99104.8 Ų104.861%0.60758%0.582SS**Hα-helixtrans-63.1-41.9177-57.50000111.6Q236 R237 F238 C242Q236-T240 PolarHBondContact O-N 2.84Å; Q236-T240 PolarHBondContact O-OG1 3.2Å; Q236-T240 VanDerWaalsContact O-OG1 3.09Å; R237-T240 PolarHBondContact O-N 3.4Å; F238-T240 PolarHBondContact O-N 3.09Å; T240-C242 VanDerWaalsContact C-N 3.26Å; T240-C242 PolarHBondContact O-N 3.03Å
241A54.7Low50.6Low81 Ų81110.3 Ų110.367%0.66961%0.61SS**Hα-helixtrans-66.1-26.3177.800000113.6R237 F238R237-A241 WeakPolarHBondContact O-CB 3.34Å; R237-A241 PolarHBondContact O-N 3.43Å; F238-A241 PolarHBondContact O-N 3.31Å
242C54.8Low49.8Very low62 Ų62110.7 Ų110.742%0.41962%0.617SS.*THydrogen-bonded Turntrans-99.63-177-66.20000114.9F238 R239 T240 L244F238-C242 WeakPolarHBondContact O-CB 3.43Å; F238-C242 PolarHBondContact O-N 3.35Å; F238-C242 PolarHBondContact O-SG 3.42Å; R239-C242 PolarHBondContact O-N 2.99Å; T240-C242 VanDerWaalsContact C-N 3.26Å; T240-C242 PolarHBondContact O-N 3.03Å; C242-L244 HydrophobicContact CB-CD1 3.77Å; C242-L244 HydrophobicContact CB-CG 3.86Å; C242-L244 PolarHBondContact O-N 2.67Å
243N49.5Very low48.5Very low155 Ų155112.7 Ų112.783%0.82963%0.627SS**THydrogen-bonded Turntrans52.633.2-174.2-66.5-50000114R239R239-N243 PolarHBondContact O-N 3.26Å
244L43.5Very low47.2Very low78 Ų78114 Ų11441%0.40864%0.643SS.*  trans-81.9133-178.2-72.9166.9000111.3R239 C242R239-L244 PolarHBondContact O-N 3.49Å; C242-L244 HydrophobicContact CB-CD1 3.77Å; C242-L244 HydrophobicContact CB-CG 3.86Å; C242-L244 PolarHBondContact O-N 2.67Å
245P44.1Very low45.8Very low120 Ų120116.3 Ų116.378%0.77966%0.658SS**  trans-68.2141.417928.4-34.5000111.8
246V45.4Very low45.1Very low92 Ų92120.9 Ų120.956%0.55868%0.677SS**  trans-86.5112.7-179.4-179.40000110.6N248V246-N248 PolarHBondContact O-N 2.88Å
247S41.6Very low44.1Very low114 Ų114122.1 Ų122.180%0.79770%0.695SS**  trans-88.199.5170.944.90000111.4G249S247-G249 PolarHBondContact O-N 2.98Å
248N37.2Very low43Very low153 Ų153117.8 Ų117.882%0.81870%0.703SS**  trans-74.386.2173.3-82.8-7000111.3V246V246-N248 PolarHBondContact O-N 2.88Å
249G34.6Very low42.6Very low73 Ų73118.8 Ų118.875%0.75372%0.72SS**  trans-10064177.200000113.9S247 N251S247-G249 PolarHBondContact O-N 2.98Å; G249-N251 PolarHBondContact O-N 3.15Å
250N35.6Very low41.7Very low157 Ų157120.1 Ų120.184%0.8474%0.738SS**  trans-77.2116.9171-80.3-6.1000110.3
251N32.9Very low40.6Very low162 Ų162122.1 Ų122.187%0.86675%0.745SS**  trans-156.798162.6-103-31000110.7G249G249-N251 PolarHBondContact O-N 3.15Å
252S36.6Very low40Very low117 Ų117123.3 Ų123.382%0.81875%0.749SS**  trans-125.8118.8167.757.30000108.6
253F31.3Very low39.3Very low200 Ų200123.8 Ų123.888%0.87776%0.764SS**  trans-66.5136.3-171.1-71.1-111.2000113.4
254S35.7Very low38.8Very low116 Ų116122.9 Ų122.981%0.81176%0.764SS**  trans-162.3136.8134.435.40000113.1
255N32.9Very low38.7Very low132 Ų132124.3 Ų124.371%0.70678%0.781SS**  trans-37.5147.6175.1-46.4-32.5000114.3
256H38.5Very low38.5Very low170 Ų170123.3 Ų123.379%0.78778%0.776SS**  -169.6136.775.6-94.1-81.8000114.6
257S40Very low38.2Very low116 Ų116123.2 Ų123.281%0.81178%0.779SS**  trans27.1118.914956.60000122.5
258G37.2Very low37.9Very low77 Ų77128.8 Ų128.879%0.79478%0.783SS**  trans166.2104.2158.700000114.2
259P42.5Very low37.8Very low121 Ų121130.8 Ų130.879%0.78678%0.784SS**  trans-111.2-169-17539-29.5000114.7
260V42.5Very low37.9Very low127 Ų127134.8 Ų134.877%0.7779%0.789SS**  trans84.6132175.3-169.80000113.3
261D41.7Very low37.9Very low141 Ų141137 Ų13775%0.75479%0.791SS**  cis-137.6175.19.3-139.4-39000115.3
262S42Very low38Very low107 Ų107134.9 Ų134.975%0.74879%0.786SS**  trans-50167.2-178.152.50000121.2
263G39Very low37.9Very low71 Ų71134.9 Ų134.973%0.73279%0.786SS**  trans-175.913.1-179.100000122.6
264V40.7Very low37.9Very low136 Ų136135.8 Ų135.882%0.82479%0.79SS**  trans46.4101.8157-173.30000118.8
265S40.6Very low37.7Very low109 Ų109133.6 Ų133.676%0.76279%0.786SS**  57.113197.1-161.80000117.1
266S39.9Very low37.8Very low99 Ų99132.7 Ų132.769%0.69279%0.789SS**  cis-159.3-148.5-9.951.30000108.2
267S38.2Very low37.7Very low89 Ų89130.1 Ų130.162%0.62279%0.791SS**  cis-171.2155.214-1310000114.1
268R35.9Very low37.7Very low232 Ų232132.7 Ų132.788%0.87579%0.79SS**  trans72.9141.9153.8-64.4174.5-178.4-171.6-0.8122.3
269K35.3Very low37.7Very low194 Ų194136.2 Ų136.284%0.84379%0.789SS**  trans68104.4167.9-65.2179178-179.50115.9
270N37.7Very low37.6Very low158 Ų158135 Ų13585%0.84578%0.779SS**  -158.3176.662.7-91.2-28.1000113.8
271K34Very low37.8Very low203 Ų203135.2 Ų135.288%0.88378%0.776SS**  trans-110.8113.7-170.6177.5-172.4-179.8-1760111.8
272P36.6Very low38.3Very low118 Ų118135.6 Ų135.677%0.76677%0.773SS**PPolyproline II helixtrans-87.2146.2169.333.9-31.7000111.7
273S34.4Very low39.2Very low116 Ų116132 Ų13281%0.81175%0.745SS**PPolyproline II helixtrans-100.8147.4166.152.90000110.4
274F31.3Very low40.4Very low220 Ų220131.2 Ų131.297%0.96573%0.728SS**PPolyproline II helixtrans-57.7133.5-172.9-76.4-104.9000113.9
275G31.3Very low41Very low70 Ų70127.4 Ų127.472%0.72271%0.705SS**  trans-134.5124.9157.400000107.9S277G275-S277 PolarHBondContact O-N 3.47Å
276S35.2Very low42Very low112 Ų112125.3 Ų125.378%0.78370%0.695SS**  trans-87.6101-172.9-178.80000111.6Q278S276-Q278 PolarHBondContact O-N 3.07Å
277S36.6Very low43.4Very low117 Ų117124.8 Ų124.882%0.81868%0.681SS**  trans-78.493.7167.2-62.20000110.2G275 I279G275-S277 PolarHBondContact O-N 3.47Å; S277-I279 PolarHBondContact O-N 3.28Å
278Q38.4Very low44.8Very low170 Ų170120.9 Ų120.979%0.79465%0.654SS**  trans-66.6129.5167.7-81.2-179.8-75.300110.1S276 V280S276-Q278 PolarHBondContact O-N 3.07Å; Q278-V280 PolarHBondContact O-N 3.4Å
279I38.2Very low46.2Very low150 Ų150112 Ų11277%0.76962%0.622SS**  trans-78.5107.8170.5-62.8170.1000106.7S277 N281S277-I279 PolarHBondContact O-N 3.28Å; I279-N281 PolarHBondContact O-N 3Å
280V40.8Very low47.9Very low97 Ų97108.8 Ų108.859%0.58861%0.61SS**  trans-74.3110.4175.7-179.60000108.5Q278 H282Q278-V280 PolarHBondContact O-N 3.4Å; V280-H282 PolarHBondContact O-N 3.39Å
281N46.3Very low49.5Very low131 Ų131105.1 Ų105.170%0.70159%0.588SS**  trans-74.4123.7172.7-67.9-39.3000109.2I279 I283I279-N281 PolarHBondContact O-N 3Å; N281-I283 PolarHBondContact O-N 2.69Å
282H51.7Low51Low149 Ų14995.8 Ų95.869%0.6955%0.548SS*.  trans-78.5106.9176.7-67.3-76.5000110.6V280V280-H282 PolarHBondContact O-N 3.39Å
283I61.8Low52.6Low30 Ų3093.3 Ų93.315%0.15453%0.527CS..  trans-58.3146.4167.6-159.7175.9000110.5L7 N281 E287 L288L7-I283 HydrophobicContact CD1-CG2 4.37Å; L7-I283 HydrophobicContact CD2-CB 3.55Å; L7-I283 HydrophobicContact CD2-CG2 3.33Å; L7-I283 HydrophobicContact CG-CB 4.36Å; L7-I283 HydrophobicContact CG-CG2 3.58Å; N281-I283 PolarHBondContact O-N 2.69Å; I283-E287 HydrophobicContact CD1-CB 4.49Å; I283-E287 HydrophobicContact CD1-CG 4.1Å; I283-E287 HydrophobicContact CG1-CB 3.86Å; I283-E287 VanDerWaalsContact CG1-CD 3.46Å; I283-E287 HydrophobicContact CG1-CG 3.57Å; I283-E287 WeakPolarHBondContact CG1-OE2 3.47Å; I283-L288 HydrophobicContact CD1-CB 3.9Å; I283-L288 HydrophobicContact CD1-CD1 4.38Å; I283-L288 HydrophobicContact CD1-CG 4.16Å; I283-L288 HydrophobicContact CG1-CB 4.44Å; I283-L288 HydrophobicContact CG2-CD1 3.9Å
284S62.4Low53.9Low55 Ų5592.9 Ų92.939%0.38551%0.512SS..  trans-84.4155.8169.873.90000112.1A286 E287 L288S284-A286 PolarHBondContact O-N 3.04Å; S284-E287 PolarHBondContact N-OE2 2.81Å; S284-E287 PolarHBondContact O-N 2.85Å; S284-E287 WeakPolarHBondContact OG-CB 3.41Å; S284-E287 PolarHBondContact OG-N 2.69Å; S284-E287 VanDerWaalsContact OG-N 3.14Å; S284-E287 PolarHBondContact OG-OE2 2.9Å; S284-L288 WeakPolarHBondContact O-CB 3.09Å; S284-L288 PolarHBondContact O-N 2.89Å
285V54.2Low55.2Low56 Ų5687.8 Ų87.834%0.33949%0.492SS..Hα-helixtrans-62.4-27.4176.4-178.70000111.9I49 R68 E289I49-V285 HydrophobicContact CD1-CG1 4.1Å; R68-V285 HydrophobicContact CG-CG1 4.07Å; V285-E289 PolarHBondContact O-N 2.82Å
286A62.1Low56.2Low66 Ų6690.5 Ų90.555%0.54549%0.485SS..Hα-helixtrans-74.3-40.8175.900000112.5S284 L288 E289 E290S284-A286 PolarHBondContact O-N 3.04Å; A286-L288 VanDerWaalsContact C-N 3.34Å; A286-E289 WeakPolarHBondContact O-CB 3.49Å; A286-E289 PolarHBondContact O-N 3.39Å; A286-E290 PolarHBondContact O-N 2.69Å
287E69Low57.1Low87 Ų8791.7 Ų91.741%0.40748%0.481SS..Hα-helixtrans-68.8-33.2175.5-178.6-176.6-171.500111.7I283 S284 E290 Q291I283-E287 HydrophobicContact CD1-CB 4.49Å; I283-E287 HydrophobicContact CD1-CG 4.1Å; I283-E287 HydrophobicContact CG1-CB 3.86Å; I283-E287 VanDerWaalsContact CG1-CD 3.46Å; I283-E287 HydrophobicContact CG1-CG 3.57Å; I283-E287 WeakPolarHBondContact CG1-OE2 3.47Å; S284-E287 PolarHBondContact N-OE2 2.81Å; S284-E287 PolarHBondContact O-N 2.85Å; S284-E287 WeakPolarHBondContact OG-CB 3.41Å; S284-E287 PolarHBondContact OG-N 2.69Å; S284-E287 VanDerWaalsContact OG-N 3.14Å; S284-E287 PolarHBondContact OG-OE2 2.9Å; E287-E290 PolarHBondContact O-N 3.47Å; E287-Q291 WeakPolarHBondContact O-CG 3.46Å; E287-Q291 PolarHBondContact O-N 2.99Å
288L67.2Low57.1Low8 Ų889.8 Ų89.84%0.04247%0.468CS..Hα-helixtrans-69.2-39.2170.7-154.7153.4000111.4N8 I49 I283 S284 A286 L292N8-L288 VanDerWaalsContact OD1-CD1 3.31Å; N8-L288 WeakPolarHBondContact OD1-CD1 3.11Å; N8-L288 VanDerWaalsContact OD1-CD2 3.31Å; N8-L288 WeakPolarHBondContact OD1-CD2 3.02Å; I49-L288 HydrophobicContact CD1-CD2 3.76Å; I283-L288 HydrophobicContact CD1-CB 3.9Å; I283-L288 HydrophobicContact CD1-CD1 4.38Å; I283-L288 HydrophobicContact CD1-CG 4.16Å; I283-L288 HydrophobicContact CG1-CB 4.44Å; I283-L288 HydrophobicContact CG2-CD1 3.9Å; S284-L288 WeakPolarHBondContact O-CB 3.09Å; S284-L288 PolarHBondContact O-N 2.89Å; A286-L288 VanDerWaalsContact C-N 3.34Å; L288-L292 HydrophobicContact CD2-CD1 3.7Å; L288-L292 HydrophobicContact CD2-CG 4.17Å; L288-L292 VanDerWaalsContact O-CG 3.3Å; L288-L292 WeakPolarHBondContact O-CG 3.4Å; L288-L292 PolarHBondContact O-N 2.87Å; L288-L292 VanDerWaalsContact O-N 3.13Å
289E65.5Low56.9Low46 Ų4689.7 Ų89.722%0.21547%0.472CS..Hα-helixtrans-60.2-45168.5161.5166.6-147.300112.1R68 V285 A286 L292 L293R68-E289 IonicContact CZ-OE1 3.66Å; R68-E289 IonicContact CZ-OE2 2.99Å; R68-E289 IonicContact NE-OE2 2.78Å; R68-E289 PolarHBondContact NE-OE2 3.42Å; R68-E289 IonicContact NH1-OE1 3.82Å; R68-E289 PolarHBondContact NH1-OE1 3.47Å; R68-E289 IonicContact NH1-OE2 2.65Å; R68-E289 PolarHBondContact NH1-OE2 3.01Å; R68-E289 IonicContact NH2-OE1 4Å; R68-E289 PolarHBondContact NH2-OE1 2.84Å; R68-E289 IonicContact NH2-OE2 2.76Å; R68-E289 PolarHBondContact NH2-OE2 2.92Å; V285-E289 PolarHBondContact O-N 2.82Å; A286-E289 WeakPolarHBondContact O-CB 3.49Å; A286-E289 PolarHBondContact O-N 3.39Å; E289-L292 PolarHBondContact O-N 2.9Å; E289-L293 HydrophobicContact CG-CD1 3.66Å; E289-L293 HydrophobicContact CG-CG 4.25Å; E289-L293 VanDerWaalsContact O-CG 3.32Å; E289-L293 WeakPolarHBondContact O-CG 3.49Å; E289-L293 PolarHBondContact O-N 3.48Å
290E72.3Confident56.9Low125 Ų12587.9 Ų87.958%0.58447%0.47SS*.Hα-helixtrans-60.9-46.2179.7-171.7172.8-178.200111.5A286 E287 L292 L293 Q294A286-E290 PolarHBondContact O-N 2.69Å; E287-E290 PolarHBondContact O-N 3.47Å; E290-L292 PolarHBondContact O-N 3.3Å; E290-L293 PolarHBondContact O-N 2.95Å; E290-Q294 PolarHBondContact O-N 2.76Å
291Q71.3Confident56.5Low81 Ų8192 Ų9238%0.37948%0.483SS..Hα-helixtrans-58.9-44.7175.3-71.8176.517.100112.4E287 Q294 E295E287-Q291 WeakPolarHBondContact O-CG 3.46Å; E287-Q291 PolarHBondContact O-N 2.99Å; Q291-Q294 PolarHBondContact O-N 3.48Å; Q291-E295 PolarHBondContact O-N 3.17Å
292L65.2Low56.2Low8 Ų894.9 Ų94.94%0.04249%0.489CS..Hα-helixtrans-66.6-35.8177.8-70.3175.8000113K25 P27 I49 L288 E289 E290 H296K25-L292 HydrophobicContact CD-CD2 3.85Å; K25-L292 HydrophobicContact CG-CD2 4.42Å; P27-L292 HydrophobicContact CB-CB 4.2Å; P27-L292 HydrophobicContact CB-CD1 4.37Å; P27-L292 HydrophobicContact CG-CB 4.02Å; I49-L292 HydrophobicContact CD1-CD1 4.48Å; I49-L292 HydrophobicContact CG2-CD1 4.16Å; L288-L292 HydrophobicContact CD2-CD1 3.7Å; L288-L292 HydrophobicContact CD2-CG 4.17Å; L288-L292 VanDerWaalsContact O-CG 3.3Å; L288-L292 WeakPolarHBondContact O-CG 3.4Å; L288-L292 PolarHBondContact O-N 2.87Å; L288-L292 VanDerWaalsContact O-N 3.13Å; E289-L292 PolarHBondContact O-N 2.9Å; E290-L292 PolarHBondContact O-N 3.3Å; L292-H296 PolarHBondContact O-CD2 3.03Å
293L70.1Confident55.6Low65 Ų6594.1 Ų94.134%0.3450%0.495SS..Hα-helixtrans-69.2-35.3175.1-71.3170.1000111.6E289 E290 E295 H296 I297E289-L293 HydrophobicContact CG-CD1 3.66Å; E289-L293 HydrophobicContact CG-CG 4.25Å; E289-L293 VanDerWaalsContact O-CG 3.32Å; E289-L293 WeakPolarHBondContact O-CG 3.49Å; E289-L293 PolarHBondContact O-N 3.48Å; E290-L293 PolarHBondContact O-N 2.95Å; L293-E295 PolarHBondContact O-N 3.48Å; L293-H296 PolarHBondContact O-N 2.91Å; L293-I297 WeakPolarHBondContact O-CG1 3.34Å; L293-I297 PolarHBondContact O-N 2.92Å
294Q62Low54.5Low107 Ų107100.2 Ų100.250%0.553%0.528SS..Hα-helixtrans-65.5-38.6-179.1-131.168.2-4.800113.2E290 Q291 H296 I297 S298E290-Q294 PolarHBondContact O-N 2.76Å; Q291-Q294 PolarHBondContact O-N 3.48Å; Q294-H296 VanDerWaalsContact C-N 3.28Å; Q294-H296 PolarHBondContact O-N 2.77Å; Q294-I297 PolarHBondContact O-N 2.85Å; Q294-S298 WeakPolarHBondContact O-CB 3.48Å; Q294-S298 PolarHBondContact O-N 2.86Å; Q294-S298 PolarHBondContact O-OG 3.32Å
295E58.3Low53Low114 Ų114101 Ų10153%0.53354%0.544SS..Hα-helixtrans-65.3-29.5177.2-69.5-158.615100112.6Q291 L293Q291-E295 PolarHBondContact O-N 3.17Å; L293-E295 PolarHBondContact O-N 3.48Å
296H50.8Low52.2Low127 Ų127104.2 Ų104.259%0.58857%0.566SS**Hα-helixtrans-81.7-10.9178.1-77.6-67.4000114.9L292 L293 Q294L292-H296 PolarHBondContact O-CD2 3.03Å; L293-H296 PolarHBondContact O-N 2.91Å; Q294-H296 VanDerWaalsContact C-N 3.28Å; Q294-H296 PolarHBondContact O-N 2.77Å
297I55Low50.9Low136 Ų136110.7 Ų110.770%0.69758%0.583SS**Hα-helixtrans-106.4-14.9-176.5-66172.3000112.2L293 Q294L293-I297 WeakPolarHBondContact O-CG1 3.34Å; L293-I297 PolarHBondContact O-N 2.92Å; Q294-I297 PolarHBondContact O-N 2.85Å
298S35.5Very low49.3Very low77 Ų77111 Ų11154%0.53859%0.594SS.*  trans-116.959-161.3-49.10000115.2Q294Q294-S298 WeakPolarHBondContact O-CB 3.48Å; Q294-S298 PolarHBondContact O-N 2.86Å; Q294-S298 PolarHBondContact O-OG 3.32Å
299L34.8Very low48Very low168 Ų168119.6 Ų119.688%0.8863%0.634SS**  trans-95122.3165.5-84.6172.1000110.9E301L299-E301 PolarHBondContact O-N 3.03Å
300P37.9Very low46.8Very low112 Ų112122.7 Ų122.773%0.72766%0.661SS**  trans-82.2119.4-172.630.9-34000112.8K302P300-K302 PolarHBondContact O-N 3.24Å
301E33.5Very low45.2Very low183 Ų183126 Ų12686%0.85567%0.673SS**  trans-70.7110.1164.2-175.3176.8-158.800109.9L299L299-E301 PolarHBondContact O-N 3.03Å
302K38.9Very low43.7Very low192 Ų192128.2 Ų128.284%0.83569%0.692SS**  trans-136.3120.2164.7-78.7-165.3173-176.60110.8P300P300-K302 PolarHBondContact O-N 3.24Å
303V40.8Very low42.6Very low134 Ų134133.5 Ų133.581%0.81273%0.729SS**  trans-84.4121.5174.7177.30000109.2
304D37.7Very low41.3Very low157 Ų157133.4 Ų133.484%0.8474%0.744SS**  trans-73.1150.3173.9-93.5-46.1000112.9
305G30Very low40.3Very low71 Ų71136.7 Ų136.773%0.73276%0.76SS**  trans-160.172.4178.500000114.2
306P38.6Very low39.4Very low124 Ų124137.3 Ų137.381%0.80577%0.766SS**  trans-77.1143.6178.931.9-34.8000112.6
307K33.8Very low38.8Very low203 Ų203140.2 Ų140.288%0.88378%0.777SS**  trans-139.1163.2168.2-83.5-173.4177.7175.70111.5
308S37Very low37.8Very low93 Ų93139.9 Ų139.965%0.6578%0.781SS**  trans78.398.9163.963.90000120.5
309H39.5Very low38.1Very low188 Ų188143.2 Ų143.287%0.8780%0.798SS**  trans67.4145.8134-47.1-45.6000119.5
310S39.3Very low38.1Very low112 Ų112141.7 Ų141.778%0.78380%0.795SS**  cis-150.9164.21.353.90000114.3
311K39.5Very low38.3Very low194 Ų194140.1 Ų140.184%0.84379%0.792SS**  trans-26.1154.8155.2-77.1170.4161.91770115.3
312V40.1Very low38.7Very low128 Ų128137.6 Ų137.678%0.77679%0.789SS**  -154.2128.354.1172.20000109.7
313S41.7Very low38.7Very low118 Ų118136 Ų13683%0.82579%0.79SS**  46.3133.8105.7-147.40000117.2
314G42.1Very low38.9Very low63 Ų63137.1 Ų137.165%0.64979%0.791SS**  cis-177.8-177.4-0.900000113
315E40.8Very low39.2Very low177 Ų177134.4 Ų134.483%0.82778%0.784SS**  trans29.8144.6146.2-61.1-159.5118.200122.2
316L40.1Very low40.1Very low126 Ų126136.4 Ų136.466%0.6679%0.787SS**  cis-169.5173.53.7-119.9178.7000112.2
317K39.2Very low40.7Very low189 Ų189135.5 Ų135.582%0.82278%0.781SS**  trans84.3137.2151.5-80.7166.6-179.9172.40122.2
318T33.8Very low41Very low129 Ų129133.3 Ų133.379%0.79178%0.779SS**  trans-90.6159.7178.636.70000113.8
319V40.4Very low41.6Very low147 Ų147136.4 Ų136.489%0.89179%0.789SS**  trans-140.7154.7157-179.30000108.6
320V36.2Very low41.6Very low135 Ų135135.3 Ų135.382%0.81878%0.784SS**  trans-134.5137.9-179.8174.60000110.6
321A41.4Very low41.7Very low80 Ų80135.8 Ų135.866%0.66178%0.782SS**  trans-160.7113.6167.200000106.7
322T41Very low41.6Very low130 Ų130134.2 Ų134.280%0.79878%0.782SS**  80.8143.577570000114.8
323D40.3Very low41.8Very low159 Ų159132.3 Ų132.385%0.8577%0.774SS**  trans-67.8161.3-162.1-46-91.5000116.7
324D44.6Very low41.8Very low157 Ų157135.2 Ų135.284%0.8477%0.774SS**  -157.5165.3123-144.7-7000115
325S44.8Very low41.8Very low99 Ų99138.3 Ų138.369%0.69278%0.78SS**  trans-56154-163.5-60.60000124.4
326S48.1Very low41.8Very low113 Ų113135 Ų13579%0.7978%0.776SS**  trans70.5140.1134.7-149.80000124
327P50.5Low41.7Very low105 Ų105133.3 Ų133.368%0.68278%0.781SS**  trans-108.1-166.6161.742.9-33.9000113.6
328D40.3Very low42Very low158 Ų158133.2 Ų133.285%0.84579%0.786SS**  trans86.8117.1170.8-67.3-10.2000119.5
329D49.8Very low42.2Very low158 Ų158135 Ų13585%0.84579%0.785SS**  trans-157.4171.4147.7-142.7-24.1000112.1
330Q40.4Very low42Very low165 Ų165132.8 Ų132.877%0.77178%0.776SS**  trans-126.7147.7-146.4-56.5-177.224.600119.1
331V39.5Very low42.3Very low122 Ų122132.3 Ų132.374%0.73978%0.776SS**  trans77.3154.9134.1161.10000121.3
332L39Very low41.8Very low161 Ų161133.1 Ų133.184%0.84378%0.783SS**  trans84.4144179.6-55177.3000118
333S42.9Very low41.6Very low88 Ų88133.1 Ų133.162%0.61579%0.787SS**  cis-174.7146-24.856.70000112.5
334H42.9Very low41.3Very low178 Ų178136.1 Ų136.182%0.82479%0.787SS**  trans63.1159.8167.6-81.4-99.5000116.7
335V42.4Very low41.2Very low128 Ų128134.7 Ų134.778%0.77679%0.787SS**  cis-132.3154.317.3177.20000112.5
336S40.6Very low40.9Very low107 Ų107139.2 Ų139.275%0.74880%0.797SS**  trans-14.6149.3171.6-47.60000123.4
337A38.5Very low40.3Very low92 Ų92137.1 Ų137.176%0.7679%0.793SS**  trans-93.1168.9161.100000113.1
338M45.5Very low39.8Very low187 Ų187141.5 Ų141.592%0.92180%0.804SS**  trans-156.2160.9160.2-106.4-67118.500109.6
339E37.6Very low39.7Very low165 Ų165142.9 Ų142.977%0.77180%0.802SS**  trans-145.1137.2-147.2-167.9-174.3163.200115.1
340S36Very low39.3Very low101 Ų101143.2 Ų143.271%0.70680%0.804SS**  trans61.8-175.6157.1-74.80000117.9
341P41.9Very low39.2Very low126 Ų126141.1 Ų141.182%0.81880%0.803SS**  -126.3-169.5-58.537.9-24.9000114.2
342A32.1Very low39Very low97 Ų97147 Ų14780%0.80281%0.812SS**  trans-66.8157.9-168.800000118
343C36.5Very low39.1Very low130 Ų130145.4 Ų145.488%0.87881%0.808SS**  trans-151.2148.3155.4-1310000112.3
344Y32.5Very low38.7Very low221 Ų221148.7 Ų148.787%0.86782%0.819SS**  trans-96.6162.7168.4-78-91.4000110.2
345P43.4Very low38.4Very low127 Ų127150.9 Ų150.983%0.82582%0.82SS**  -137.2172.3124.836.7-25.4000114.2
346Q38.3Very low38.2Very low195 Ų195152 Ų15291%0.91182%0.822SS**  trans-85.2136-173.3-64.7165.1-81.100113.7
347G35.7Very low37.8Very low68 Ų68158.8 Ų158.870%0.70183%0.831SS**  79.6134.4114.600000120.2
348H40.2Very low37.8Very low197 Ų197165 Ų16591%0.91283%0.834SS**  trans-141160.2136.6-129.5-101000110.1
349K39.1Very low37.3Very low188 Ų188162.9 Ų162.982%0.81783%0.826SS**  trans-96151.1-171.3-57.6165.1-176.6169.90110.8
350D40.3Very low37.2Very low165 Ų165162.1 Ų162.188%0.88283%0.827SS**  trans-153.9164.3133.8-118.7-36.6000112.7
351T38.1Very low37Very low120 Ų120161.8 Ų161.874%0.73682%0.824SS**  trans-124.7138.1-159.3580000115.3
352R36.2Very low37.1Very low246 Ų246163.3 Ų163.393%0.92883%0.826SS**  trans-157.677156.1-151.7166.3-176.9124.9-1.5116.4
353V41.5Very low37.8Very low128 Ų128166 Ų16678%0.77683%0.826SS**  trans32.9119.9136.6-174.40000119.7
354D32.7Very low38.3Very low157 Ų157164 Ų16484%0.8482%0.82SS**  trans-54.6142.8163.8-68.2-91000115
355R38.2Very low38.9Very low224 Ų224156.9 Ų156.985%0.84581%0.813SS**  trans-166.1112.3149.9-115.2174.8-166.6-168.83113.8
356N36.5Very low39Very low152 Ų152161 Ų16181%0.81381%0.814SS**  155.291.8119.6-79.3-9000113.7
357R32.3Very low39.8Very low248 Ų248156.6 Ų156.694%0.93680%0.8SS**  trans-107.5112.2146.3-115.1-173.9172-171-1.7106.6
358R38.6Very low40.4Very low222 Ų222160.5 Ų160.584%0.83881%0.805SS**  trans166.9119.6162.8-98.9-180173172.9-1.2107.2
359L35Very low41Very low143 Ų143158.8 Ų158.875%0.74980%0.802SS**  95.1152.278.5-85.7-174.6000111.5
360L35.8Very low41.5Very low150 Ų150155.9 Ų155.979%0.78580%0.8SS**  trans73121.8-177.6-44.6-179000111.9
361S32.8Very low42.3Very low93 Ų93155.4 Ų155.465%0.6580%0.797SS**  cis92147.140.5-65.70000112.3
362D44.3Very low43Very low158 Ų158157 Ų15785%0.84580%0.801SS**  trans71.1147.8173.8-34.6-37.4000113.2
363D46.2Very low43.8Very low153 Ų153153.6 Ų153.682%0.81880%0.796SS**  cis-152.4166.2-0-166.210.1000110.4
364A47.7Very low44Very low89 Ų89157 Ų15774%0.73680%0.804SS**  trans51.3139165.300000120.1
365G43.9Very low44.5Very low71 Ų71153 Ų15373%0.73279%0.792SS**  cis116.9107-0.500000112.9
366Y45.5Very low44.7Very low215 Ų215148.8 Ų148.884%0.84380%0.796SS**  trans-155.4128.1162.5-143.3-118.4000113.4
367V56.4Low45Very low102 Ų102148.8 Ų148.862%0.61879%0.79SS**  trans42.7127.3162-57.50000121.8
368D47.3Very low45.4Very low149 Ų149142.2 Ų142.280%0.79777%0.774SS**  trans-69148.5147.3-48-90.5000110.5
369D52.2Low45.4Very low161 Ų161141.6 Ų141.686%0.86177%0.772SS**  trans-123.3126.3150.6-84.7-50.3000107.2
370V51.3Low45.7Very low128 Ų128140.5 Ų140.578%0.77678%0.776SS**  trans-106.8139.2178-82.30000109.2
371D55.1Low45.9Very low154 Ų154136.8 Ų136.882%0.82477%0.774SS**  trans-141.4127.6162.9-87.3-40.5000110.8
372D54.8Low46.1Very low153 Ų153144.7 Ų144.782%0.81879%0.789SS**  trans51.3104.3154.3-62.1-20.8000122.4
373E52.2Low45.7Very low176 Ų176140.9 Ų140.982%0.82279%0.788SS**  trans-57144.7144.2-67.4-116.5168.800112.5
374E45.4Very low45.6Very low200 Ų200142.1 Ų142.194%0.93579%0.794SS**  trans-136.7114.9138.4-165.1174.9-13800110.2
375A43.1Very low45.3Very low71 Ų71143.4 Ų143.459%0.58779%0.794SS**  trans-99.3139.5-175.100000112.3
376C43.1Very low45.2Very low137 Ų137149.7 Ų149.793%0.92680%0.802SS**  trans-144.8103.4160.9-96.90000110.9
377E42.8Very low45.1Very low151 Ų151144.9 Ų144.971%0.70680%0.799SS**  trans-70.1145.8172.4-57.6-175.8130.300112.1
378N41Very low44.2Very low111 Ų111151.3 Ų151.359%0.59481%0.814SS**  175.7127.892.7-103.2-68.1000115.9
379R38.6Very low43.9Very low208 Ų208147.9 Ų147.979%0.78581%0.814SS**  trans41.3125.6132.6-66.8176.4-165-124.3-4.7121.9
380S40.7Very low43.3Very low121 Ų121147.4 Ų147.485%0.84682%0.817SS**  trans81.5112133.1-62.50000121.2
381G39.1Very low42.7Very low71 Ų71144.7 Ų144.773%0.73282%0.815SS**  129.5101.2111.600000119.7
382R37.2Very low41.9Very low259 Ų259146.2 Ų146.298%0.97782%0.817SS**  trans40.6111.4139.6-64.4-174.4-80.5-137.5-0.7119.7
383G37.4Very low41.1Very low79 Ų79150.2 Ų150.281%0.81482%0.821SS**  trans-166.6127.6157.500000113.2
384L42.8Very low40.7Very low179 Ų179151.1 Ų151.194%0.93782%0.822SS**  trans-101.5163177.7-112.378.2000112.2
385P41.2Very low40.7Very low116 Ų116150.7 Ų150.775%0.75382%0.82SS**  trans-99.2163.3-156.838.5-38.9000117
386K41.2Very low40.6Very low203 Ų203157.4 Ų157.488%0.88383%0.83SS**  trans-149.3151.5159.8-69.4-175.3-177.2175.50107.1
387S45.3Very low40.5Very low113 Ų113162.5 Ų162.579%0.7983%0.83SS**  cis-159.3165.1-5.843.30000109.6
388Y35.8Very low40.8Very low237 Ų237163 Ų16393%0.92983%0.832SS**  trans-64.3150.4174.9-69.5-91.8000113.3
389G41.5Very low40.8Very low78 Ų78165.2 Ų165.280%0.80484%0.842SS**  trans-159.6110.817000000111.4
390V40.4Very low40.9Very low150 Ų150166 Ų16691%0.90985%0.845SS**  trans-89.6130-179.4176.60000110.2
391G38.9Very low41Very low72 Ų72167.7 Ų167.774%0.74284%0.84SS**  trans-146.2111.1174.800000111.9
392Q38.3Very low41.2Very low185 Ų185172.7 Ų172.786%0.86484%0.844SS**  trans-74.5142.2176.5-67.2-168.8-0.200111.7
393R38Very low41.3Very low238 Ų238167.5 Ų167.590%0.89883%0.83SS**  trans-144109.5163.6-161.9166.6-174.6157.20.4112
394K43.5Very low41.3Very low194 Ų194169.3 Ų169.384%0.84382%0.821SS**  trans-64.6137.8168.2-66.9175.6177.5175.50109.6
395Q45.4Very low40.9Very low192 Ų192167.8 Ų167.890%0.89781%0.814SS**  trans-104.5142.9158.8-80.2-167.6-22.100110.4
396R40.9Very low40.9Very low212 Ų212170.6 Ų170.680%0.882%0.822SS**  trans-91.7140.9179.7-68.7164.467.7159.40.5109.3
397R40.9Very low40.6Very low244 Ų244165.8 Ų165.892%0.92181%0.814SS**  trans-63.3138.5161.1-71.2178.8174.2169.6-2.9108.9
398H48.1Very low40.6Very low161 Ų161167.6 Ų167.675%0.74582%0.815SS**  trans-121.8117.3161.3-83.5-94000108.5
399I42.9Very low40.7Very low157 Ų157164.2 Ų164.281%0.80581%0.807SS**  trans-88.8137.9164.5-78.6172.3000107.1
400R40.2Very low40.8Very low224 Ų224167 Ų16785%0.84580%0.803SS**  trans-108.9107172.1-174.9177-174.2175.61.9108.5
401Q41.6Very low40.8Very low158 Ų158167.5 Ų167.574%0.73879%0.794SS**  trans-73.8151.8162.8-72.3167.5-41.400109.3
402Q44Very low40.6Very low175 Ų175169.4 Ų169.482%0.81880%0.797SS**  trans-117.2143.9159.6-73.9179.8-31.500107
403H39.5Very low40.9Very low150 Ų150165.8 Ų165.869%0.69479%0.789SS**  trans-122.9125.8-178.8-111.2-86.9000109.1
404D37.4Very low41Very low117 Ų117159.2 Ų159.263%0.62678%0.779SS**  trans52151.9139.3-48.9-15.7000124
405N35.1Very low40.6Very low148 Ų148156.9 Ų156.979%0.79178%0.776SS**  trans74.4121.3162-46.1-54.4000115.5
406L41.2Very low40.2Very low175 Ų175158.6 Ų158.692%0.91678%0.775SS**  -138-178.755.5-11681.5000114.9
407S33.6Very low39.7Very low102 Ų102153.1 Ų153.171%0.71377%0.769SS**  trans-91.2163.7-172.7-50.80000115.2
408D44.6Very low39.6Very low151 Ų151148 Ų14881%0.80776%0.764SS**  169.4108.9125.3-79-9.7000108.2
409E39Very low38.9Very low165 Ų165146.9 Ų146.977%0.77176%0.764SS**  55.4115.299.9-127.2-168.4166.700114
410I44.5Very low38.5Very low138 Ų138150 Ų15071%0.70877%0.765SS**  -171.2133.978.8-94.2161.1000112.6
411H38.8Very low38.4Very low159 Ų159146.5 Ų146.574%0.73676%0.763SS**  trans56.197.4147.7-63.642.6000123
412S35.1Very low38Very low113 Ų113148.1 Ų148.179%0.7977%0.768SS**  17.2166.8102.9-65.90000122.6
413P45Very low37.7Very low109 Ų109145.5 Ų145.571%0.70877%0.766SS**  cis-141.8-169.1-17.234.3-12.2000115.9
414S40.3Very low37.6Very low99 Ų99142.7 Ų142.769%0.69276%0.763SS**  trans78.7145141.7-85.30000120.3
415N34.6Very low37.3Very low145 Ų145144 Ų14478%0.77577%0.771SS**  cis-164.9168.7-14.1-139-42.7000113.8
416R36.3Very low37.4Very low229 Ų229145.1 Ų145.186%0.86477%0.774SS**  trans77118.2150.1-134.8172.6-164.6163.64.6121.1
417S31.2Very low36.9Very low97 Ų97142.1 Ų142.168%0.67876%0.764SS**  trans-80.6150.6165166.40000112.8
418V38.8Very low37.2Very low136 Ų136143.2 Ų143.282%0.82477%0.768SS**  trans-137.8119.9157.9-179.90000109.6
419N32.7Very low36.5Very low137 Ų137144.8 Ų144.873%0.73377%0.768SS**  trans-75.8143.2166.3-74.9-59.5000110.6
420R35.4Very low36.1Very low222 Ų222143 Ų14384%0.83877%0.773SS**  175.1147.6114.2-100.9176.8171.5165.5-1.6117.1
421N36.7Very low35.7Very low151 Ų151145.8 Ų145.881%0.80778%0.779SS**  trans79.1145.2146.3-62.6-2.6000120.8
422K33Very low35.1Very low193 Ų193143.9 Ų143.984%0.83978%0.779SS**  trans-136.4135.7-173.4169.7-175179.41790108.7
423P38.1Very low35.2Very low119 Ų119146.7 Ų146.777%0.77378%0.783SS**  trans-141.6172.5131.238.6-25.8000111
424S38.3Very low34.5Very low91 Ų91148.4 Ų148.464%0.63679%0.785SS**  cis-172.2138-31.854.20000107.6
425N30.4Very low34.2Very low146 Ų146147.3 Ų147.378%0.78179%0.79SS**  trans28.5134.8157.4-53.6-8.9000121.7
426I37.1Very low34.1Very low170 Ų170148.8 Ų148.887%0.87279%0.792SS**  -150.4150.4123.1-98.9146.5000108.3
427T31.3Very low33.8Very low112 Ų112144.8 Ų144.869%0.68779%0.788SS**  trans-160.6143.4-177.7-34.10000110.2
428P39Very low34Very low125 Ų125146.1 Ų146.181%0.81279%0.792SS**  trans-97.9155.8157.634.1-28.3000111.8
429K30.6Very low33.4Very low185 Ų185148 Ų14880%0.80480%0.797SS**  trans-132.4142.6-175.8-62.7173.7178.3175.80111.8
430C30Very low33.5Very low128 Ų128146.3 Ų146.387%0.86579%0.791SS**  trans-134.7116140.3-90.80000106.7
431K36.6Very low33.7Very low195 Ų195139.7 Ų139.785%0.84878%0.775SS**  90.7108.453.9-81.3-168.8169.2-176.20112.3
432T27.4Very low33.5Very low119 Ų119137.9 Ų137.973%0.7377%0.772SS**  trans-81.2153-171.8-43.30000113.6I434T432-I434 HydrophobicContact CG2-CG1 3.82Å
433I35.4Very low33.8Very low172 Ų172134.8 Ų134.888%0.88276%0.764SS**  trans-125.3147.3141.8-63.8-176.3000107.3
434I30.4Very low33.9Very low145 Ų145135.5 Ų135.574%0.74476%0.759SS**  trans-106.7144.6-168.5-61.5170.8000110.1T432T432-I434 HydrophobicContact CG2-CG1 3.82Å
435G34.3Very low33.8Very low77 Ų77138.8 Ų138.879%0.79477%0.768SS**  trans-161.8120.1164.400000109.7
436E32.1Very low34Very low175 Ų175137.8 Ų137.882%0.81877%0.768SS**  trans-90.5162.9175.9-74.8178.3119.800111.5
437D30.4Very low33.7Very low146 Ų146132.7 Ų132.778%0.78176%0.757SS**  trans50.3109.1160.9-62.3-12.9000120.3
438T35.5Very low34Very low125 Ų125134.7 Ų134.777%0.76776%0.762SS**  -164.4136.3107.4-74.50000110.3V440T438-V440 HydrophobicContact CG2-CG2 4.37Å; T438-V440 PolarHBondContact O-N 3.34Å
439L27.1Very low33.7Very low176 Ų176134.6 Ų134.692%0.92176%0.762SS**  trans-78.9101.7173-73167.2000110.2
440V34.1Very low33.7Very low100 Ų100130.9 Ų130.961%0.60676%0.759SS**  trans-87.4121.8177178.90000110.2T438 M444T438-V440 HydrophobicContact CG2-CG2 4.37Å; T438-V440 PolarHBondContact O-N 3.34Å; V440-M444 HydrophobicContact CG1-CB 3.74Å; V440-M444 HydrophobicContact CG1-CG 4.07Å; V440-M444 HydrophobicContact CG1-SD 3.96Å
441T39.6Very low34Very low84 Ų84129.8 Ų129.852%0.51575%0.753SS.*  trans-82.7159.317647.30000112.2D443 M444T441-D443 PolarHBondContact O-N 2.97Å; T441-D443 VanDerWaalsContact O-N 3.08Å; T441-M444 PolarHBondContact O-N 3.31Å
442P33.8Very low34Very low113 Ų113128.2 Ų128.273%0.73475%0.752SS**G310 helixtrans-57.3-26-175.1-27.936.9000115.7M444 L445P442-M444 PolarHBondContact O-N 3.18Å; P442-L445 PolarHBondContact O-N 2.83Å
443D38.2Very low34.6Very low128 Ų128132.7 Ų132.768%0.68476%0.761SS**G310 helixtrans-66.5-15.4-177.9-51.7-46.9000113.7T441 L445 T446T441-D443 PolarHBondContact O-N 2.97Å; T441-D443 VanDerWaalsContact O-N 3.08Å; D443-L445 VanDerWaalsContact C-N 3.25Å; D443-L445 PolarHBondContact O-N 3.12Å; D443-T446 PolarHBondContact O-OG1 3.44Å
444M40.5Very low34.5Very low134 Ų134130.5 Ų130.566%0.6676%0.758SS**G310 helixtrans-78.4-1.2-179.7-67.4-154.870.700114.8V440 T441 P442V440-M444 HydrophobicContact CG1-CB 3.74Å; V440-M444 HydrophobicContact CG1-CG 4.07Å; V440-M444 HydrophobicContact CG1-SD 3.96Å; T441-M444 PolarHBondContact O-N 3.31Å; P442-M444 PolarHBondContact O-N 3.18Å
445L36.9Very low34.8Very low159 Ų159127.1 Ų127.183%0.83276%0.759SS**G310 helixtrans-106.63.1177.1-66.6177.1000114.2P442 D443P442-L445 PolarHBondContact O-N 2.83Å; D443-L445 VanDerWaalsContact C-N 3.25Å; D443-L445 PolarHBondContact O-N 3.12Å
446T34.4Very low35Very low126 Ų126132 Ų13277%0.77377%0.766SS**  trans-99.451.2171.353.40000111.9D443D443-T446 PolarHBondContact O-OG1 3.44Å
447G30.2Very low35.1Very low63 Ų63131.9 Ų131.965%0.64977%0.768SS**  trans-121.9110.4179.300000112.5P449G447-P449 WeakPolarHBondContact O-CD 3.44Å
448I37.2Very low35.3Very low154 Ų154129.9 Ų129.979%0.7977%0.765SS**  trans-79.6122.3175.7-59.2172.9000109.2S450I448-S450 VanDerWaalsContact C-N 3.33Å; I448-S450 PolarHBondContact O-N 3.31Å
449P32.1Very low35.4Very low123 Ų123131 Ų13180%0.79976%0.762SS**  trans-82.373.6178.933.6-35.1000111.6G447 S451G447-P449 WeakPolarHBondContact O-CD 3.44Å; P449-S451 PolarHBondContact O-N 2.64Å
450S30.9Very low35.9Very low107 Ų107130.6 Ų130.675%0.74875%0.753SS**  trans-90.772.7-178.860.20000113.1I448I448-S450 VanDerWaalsContact C-N 3.33Å; I448-S450 PolarHBondContact O-N 3.31Å
451S36.4Very low35.8Very low104 Ų104131.8 Ų131.873%0.72776%0.756SS**  trans-159.770179.951.70000116.5P449P449-S451 PolarHBondContact O-N 2.64Å
452I36.1Very low35.6Very low162 Ų162137.1 Ų137.183%0.83177%0.768SS**  trans-136.485.5156.5-51.6179.5000110.4
453F41.3Very low35.6Very low213 Ų213137.6 Ų137.693%0.93476%0.764SS**  trans-169.6117.5151.7-98.8-63.5000109.7
454P33.5Very low35.4Very low126 Ų126140.9 Ų140.982%0.81877%0.767SS**  trans-94.6135.3169.234.3-29.4000110.9
455G37Very low35.4Very low74 Ų74141.1 Ų141.176%0.76377%0.766SS**  trans176.490.8177.400000116.5
456L36.8Very low35.1Very low180 Ų180139.3 Ų139.394%0.94276%0.762SS**  trans64.3160.9168.2-116.369.4000118.3
457M34.4Very low35.1Very low173 Ų173139.3 Ų139.385%0.85276%0.762SS**  trans-136.8167.6-173.7-92.8-76.3-168.700109.3
458S35.7Very low35.5Very low103 Ų103142 Ų14272%0.7277%0.771SS**  trans73.4143.7169.3100.60000116.4
459E37.2Very low35.4Very low150 Ų150139.9 Ų139.970%0.70177%0.769SS**  cis-157.5177.4-11.8-123.5165.6167.800111
460F37.4Very low35.9Very low167 Ų167138.7 Ų138.773%0.73276%0.762SS**  trans1.6151.5158.3-56.2-51.4000121.5
461N33.2Very low35.9Very low124 Ų124141.8 Ų141.866%0.66376%0.762SS**  cis-178159.7-21.7-148.9-12.4000107.1
462Y33.7Very low36.2Very low196 Ų196142.3 Ų142.377%0.76977%0.765SS**  trans62.9141163.4-86.8-88.2000123
463D33.9Very low36.1Very low123 Ų123141.1 Ų141.166%0.65876%0.756SS**  trans64.398.2148.3-78.4-31.9000124.9
464R34.3Very low36Very low198 Ų198139 Ų13975%0.74776%0.755SS**  79.3148.5104-129.8171.3-172.9-129.116.1120.9
465H39.8Very low36.2Very low138 Ų138141.3 Ų141.364%0.63975%0.752SS**  trans87.381.7162.6-62.5-63.3000120.6
466T32Very low36.3Very low121 Ų121142.2 Ų142.274%0.74275%0.752SS**  44.1139.9117.7-22.70000122.4
467V33Very low36.3Very low127 Ų127138.7 Ų138.777%0.7774%0.743SS**  trans77.8102.5161.3-160.40000117.5
468S39Very low36.3Very low120 Ų120138 Ų13884%0.83974%0.741SS**  172.9161.2121.4-77.20000111.9
469S35.4Very low36.2Very low108 Ų108138.1 Ų138.176%0.75574%0.742SS**  trans-144.1-170.3-179.769.50000108.3
470P42.3Very low36Very low99 Ų99136.2 Ų136.264%0.64375%0.745SS**  cis-128.8-149.4-29.627.5-4.1000111.6
471F31.3Very low35.7Very low172 Ų172134.6 Ų134.675%0.75475%0.749SS**  trans85.7108.5161.5-71.3-72000121.8E473F471-E473 HydrophobicContact CD1-CG 4.49Å
472S42.2Very low35.9Very low114 Ų114137.6 Ų137.680%0.79776%0.759SS**  178.8105.5103.9-71.40000108.8
473E34.9Very low35.8Very low138 Ų138138 Ų13865%0.64577%0.765SS**  66.2109.883.6-78-127.2121.900115.7F471F471-E473 HydrophobicContact CD1-CG 4.49Å
474N39.3Very low35.8Very low169 Ų169136.9 Ų136.990%0.90477%0.766SS**  trans171.996.3153.9-91.9-33.2000107.5
475K37.6Very low35.7Very low173 Ų173132 Ų13275%0.75277%0.768SS**  cis100.374.724.5-163.5-177-179.3170.60115.2
476A38.6Very low35.6Very low94 Ų94130.9 Ų130.978%0.77777%0.772SS**  trans-178.5145.9150.500000109.8
477S37.1Very low35.9Very low105 Ų105128.6 Ų128.673%0.73476%0.76SS**  cis-159125.4-19.7-86.40000111
478I34.5Very low36.6Very low160 Ų160132.1 Ų132.182%0.82177%0.769SS**  trans36.3116.5139.2-55162.3000119.1
479S32.6Very low37.4Very low105 Ų105135.8 Ų135.873%0.73477%0.765SS**  176.9153.3110.746.90000115.8
480S34.9Very low39.2Very low109 Ų109135.1 Ų135.176%0.76275%0.753SS**  trans49100.3154.950.90000121.2
481T31.1Very low41.2Very low133 Ų133133.2 Ų133.282%0.81674%0.742SS**  trans-56.3129.9153-52.70000113.1
482E36.9Very low43.7Very low187 Ų187133.6 Ų133.687%0.87474%0.743SS**  trans-135.5141.5151.2-75.8-152.313900111.7S484E482-S484 PolarHBondContact O-N 2.76Å
483K31.6Very low45.7Very low205 Ų205132.3 Ų132.389%0.89173%0.727SS**  trans-89.289.3-178.5-70.9176.7176.3176.30110.6A485K483-A485 PolarHBondContact O-N 2.78Å
484S33.1Very low47.9Very low99 Ų99130.8 Ų130.869%0.69272%0.72SS**  trans-81.897.1171.6-165.90000111.1E482 T486E482-S484 PolarHBondContact O-N 2.76Å; S484-T486 VanDerWaalsContact C-N 3.29Å; S484-T486 PolarHBondContact O-N 3.25Å
485A32.1Very low50.1Low96 Ų96126.8 Ų126.879%0.79370%0.698SS**  trans-78.575.4174.200000110.8K483 S487K483-A485 PolarHBondContact O-N 2.78Å; A485-S487 PolarHBondContact O-N 3.11Å
486T37.6Very low52.7Low115 Ų115125.5 Ų125.571%0.70669%0.689SS**  trans-70.5115.8174.652.30000110.2S484 E488S484-T486 VanDerWaalsContact C-N 3.29Å; S484-T486 PolarHBondContact O-N 3.25Å; T486-E488 PolarHBondContact O-N 3.41Å
487S38.1Very low54.9Low73 Ų73125.4 Ų125.451%0.5167%0.672SS.*  trans-69.6118.8-170.8-50.10000113.4A485 Y489A485-S487 PolarHBondContact O-N 3.11Å; S487-Y489 VanDerWaalsContact C-N 3.28Å; S487-Y489 PolarHBondContact O-N 2.93Å
488E47.8Very low57.1Low201 Ų201123.1 Ų123.194%0.93965%0.654SS**  trans-71.380.7166.8-67.4-175.711400110.6T486T486-E488 PolarHBondContact O-N 3.41Å
489Y55.9Low59.8Low197 Ų197119.2 Ų119.277%0.77363%0.634SS**PPolyproline II helixtrans-90.2123.7168.5-59.7-48.4000110.3S487 S491S487-Y489 VanDerWaalsContact C-N 3.28Å; S487-Y489 PolarHBondContact O-N 2.93Å; Y489-S491 PolarHBondContact O-N 3.37Å
490L74.1Confident62.5Low94 Ų94117 Ų11749%0.49261%0.614SS.*PPolyproline II helixtrans-57.9133.5168.7-68.2165000109.8Q494 L495L490-Q494 HydrophobicContact CB-CB 4.24Å; L490-Q494 HydrophobicContact CD2-CB 4.02Å; L490-L495 HydrophobicContact CB-CB 4.2Å; L490-L495 HydrophobicContact CD1-CD1 4.39Å
491S84.3Confident65.1Low59 Ų59117.1 Ų117.141%0.41360%0.602SS.*PPolyproline II helixtrans-62.4160.2170.967.30000111.2Y489 D493 Q494 L495Y489-S491 PolarHBondContact O-N 3.37Å; S491-D493 PolarHBondContact O-N 2.94Å; S491-Q494 VanDerWaalsContact CB-OE1 3.29Å; S491-Q494 PolarHBondContact O-N 2.94Å; S491-Q494 VanDerWaalsContact O-N 3.12Å; S491-Q494 VanDerWaalsContact OG-CD 3.32Å; S491-Q494 WeakPolarHBondContact OG-CG 3.4Å; S491-Q494 PolarHBondContact OG-N 3.42Å; S491-Q494 PolarHBondContact OG-OE1 3.1Å; S491-L495 WeakPolarHBondContact O-CB 3.36Å; S491-L495 PolarHBondContact O-N 2.98Å
492K83.4Confident67.9Low180 Ų180113 Ų11378%0.78358%0.575SS**Hα-helixtrans-52.6-41.9-179-176.2-172.1174-170.10112.9R496K492-R496 WeakPolarHBondContact O-CB 3.09Å; K492-R496 PolarHBondContact O-N 2.82Å
493D83.6Confident70.4Confident86 Ų86108.8 Ų108.846%0.4656%0.558SS.*Hα-helixtrans-74.3-40.7-179.8-76.63.8000111.3K98 S491 R496 E497K98-D493 IonicContact NZ-OD2 2.92Å; S491-D493 PolarHBondContact O-N 2.94Å; D493-R496 WeakPolarHBondContact O-CB 3.26Å; D493-R496 PolarHBondContact O-N 3.02Å; D493-E497 WeakPolarHBondContact O-CG 3.47Å; D493-E497 PolarHBondContact O-N 3.43Å
494Q81.5Confident73.2Confident106 Ų106106.3 Ų106.350%0.49555%0.549SS..Hα-helixtrans-59.8-49172.4-73.5165.5-53.700111.5L490 S491 R496 E497 T498L490-Q494 HydrophobicContact CB-CB 4.24Å; L490-Q494 HydrophobicContact CD2-CB 4.02Å; S491-Q494 VanDerWaalsContact CB-OE1 3.29Å; S491-Q494 PolarHBondContact O-N 2.94Å; S491-Q494 VanDerWaalsContact O-N 3.12Å; S491-Q494 VanDerWaalsContact OG-CD 3.32Å; S491-Q494 WeakPolarHBondContact OG-CG 3.4Å; S491-Q494 PolarHBondContact OG-N 3.42Å; S491-Q494 PolarHBondContact OG-OE1 3.1Å; Q494-R496 VanDerWaalsContact C-N 3.28Å; Q494-R496 PolarHBondContact O-N 3.2Å; Q494-E497 PolarHBondContact O-N 3.34Å; Q494-T498 WeakPolarHBondContact O-CB 3.42Å; Q494-T498 PolarHBondContact O-N 3.34Å; Q494-T498 PolarHBondContact O-OG1 3.23Å
495L86.5Confident76.1Confident85 Ų85106.1 Ų106.145%0.44554%0.544SS..Hα-helixtrans-59-39.6178179.363000111.8L490 S491 L499L490-L495 HydrophobicContact CB-CB 4.2Å; L490-L495 HydrophobicContact CD1-CD1 4.39Å; S491-L495 WeakPolarHBondContact O-CB 3.36Å; S491-L495 PolarHBondContact O-N 2.98Å; L495-L499 HydrophobicContact CD1-CD1 4.35Å; L495-L499 HydrophobicContact CD1-CG 4.47Å; L495-L499 HydrophobicContact CG-CD1 4.22Å; L495-L499 WeakPolarHBondContact O-CB 3.43Å; L495-L499 VanDerWaalsContact O-CG 3.26Å; L495-L499 WeakPolarHBondContact O-CG 3.37Å; L495-L499 PolarHBondContact O-N 2.83Å
496R92.4Very high78.9Confident146 Ų146104.3 Ų104.355%0.55152%0.521SS*.Hα-helixtrans-61.2-52.2174.2172.5-170.5143.9172.80.1111.3K492 D493 Q494 L499 I500K492-R496 WeakPolarHBondContact O-CB 3.09Å; K492-R496 PolarHBondContact O-N 2.82Å; D493-R496 WeakPolarHBondContact O-CB 3.26Å; D493-R496 PolarHBondContact O-N 3.02Å; Q494-R496 VanDerWaalsContact C-N 3.28Å; Q494-R496 PolarHBondContact O-N 3.2Å; R496-L499 PolarHBondContact O-N 2.87Å; R496-I500 HydrophobicContact CG-CD1 3.92Å; R496-I500 WeakPolarHBondContact O-CG1 3.34Å; R496-I500 PolarHBondContact O-N 3.11Å
497E83.9Confident81.5Confident93 Ų93105.6 Ų105.644%0.43552%0.523SS..Hα-helixtrans-69.7-33.5-177.5-60.4-49.5130.600111.9D493 Q494 I500 H501D493-E497 WeakPolarHBondContact O-CG 3.47Å; D493-E497 PolarHBondContact O-N 3.43Å; Q494-E497 PolarHBondContact O-N 3.34Å; E497-I500 PolarHBondContact O-N 3.02Å; E497-H501 WeakPolarHBondContact O-CB 3.21Å; E497-H501 PolarHBondContact O-N 2.99Å
498T83.2Confident84.1Confident57 Ų57106.5 Ų106.535%0.3552%0.523SS..Hα-helixtrans-60.8-43.6169.3-58.50000111.7Q494 H501 L502Q494-T498 WeakPolarHBondContact O-CB 3.42Å; Q494-T498 PolarHBondContact O-N 3.34Å; Q494-T498 PolarHBondContact O-OG1 3.23Å; T498-H501 PolarHBondContact O-N 3.16Å; T498-L502 HydrophobicContact CG2-CD1 4.05Å; T498-L502 HydrophobicContact CG2-CG 4.48Å; T498-L502 WeakPolarHBondContact O-CB 3.29Å; T498-L502 VanDerWaalsContact O-CG 3.3Å; T498-L502 WeakPolarHBondContact O-CG 3.44Å; T498-L502 PolarHBondContact O-N 3.44Å
499L90.4Very high86.3Confident78 Ų7899.3 Ų99.341%0.40849%0.488SS..Hα-helixtrans-66-39.2176.1-75.1168.7000112.4L495 R496 L503 F509L495-L499 HydrophobicContact CD1-CD1 4.35Å; L495-L499 HydrophobicContact CD1-CG 4.47Å; L495-L499 HydrophobicContact CG-CD1 4.22Å; L495-L499 WeakPolarHBondContact O-CB 3.43Å; L495-L499 VanDerWaalsContact O-CG 3.26Å; L495-L499 WeakPolarHBondContact O-CG 3.37Å; L495-L499 PolarHBondContact O-N 2.83Å; R496-L499 PolarHBondContact O-N 2.87Å; L499-L503 WeakPolarHBondContact O-CB 3.49Å; L499-L503 WeakPolarHBondContact O-CG 3.47Å; L499-L503 PolarHBondContact O-N 2.88Å; L499-F509 HydrophobicContact CD2-CZ 4.04Å
500I91Very high88Confident58 Ų5892.4 Ų92.430%0.29747%0.467SS..Hα-helixtrans-63.5-45.6174.9-69166.6000110.4R496 E497 L503 Q504R496-I500 HydrophobicContact CG-CD1 3.92Å; R496-I500 WeakPolarHBondContact O-CG1 3.34Å; R496-I500 PolarHBondContact O-N 3.11Å; E497-I500 PolarHBondContact O-N 3.02Å; I500-L503 PolarHBondContact O-N 3.17Å; I500-Q504 WeakPolarHBondContact O-CB 3.33Å; I500-Q504 VanDerWaalsContact O-CG 3.29Å; I500-Q504 WeakPolarHBondContact O-CG 3.3Å; I500-Q504 PolarHBondContact O-N 2.93Å
501H88.1Confident89Confident111 Ų11193.6 Ų93.651%0.51447%0.469SS..Hα-helixtrans-62.4-46.6178.5-179.144.9000112.2E497 T498 L503 Q504 T505E497-H501 WeakPolarHBondContact O-CB 3.21Å; E497-H501 PolarHBondContact O-N 2.99Å; T498-H501 PolarHBondContact O-N 3.16Å; H501-L503 PolarHBondContact O-N 3.13Å; H501-Q504 CarbonylContact O-C 3.57Å; H501-Q504 PolarHBondContact O-N 3.42Å; H501-T505 PolarHBondContact CE1-OG1 2.85Å; H501-T505 VanDerWaalsContact CE1-OG1 3.28Å; H501-T505 PolarHBondContact ND1-OG1 3.13Å; H501-T505 VanDerWaalsContact ND1-OG1 3.13Å; H501-T505 WeakPolarHBondContact O-CB 3.37Å; H501-T505 PolarHBondContact O-N 3.05Å; H501-T505 PolarHBondContact O-OG1 3.34Å; H501-T505 VanDerWaalsContact O-OG1 3.13Å
502L90.2Very high89.4Confident48 Ų4898.7 Ų98.725%0.25148%0.48SS..Hα-helixtrans-60.2-43.3175.7-71.5169.7000111.8T498 Q504 T505 D506 F509T498-L502 HydrophobicContact CG2-CD1 4.05Å; T498-L502 HydrophobicContact CG2-CG 4.48Å; T498-L502 WeakPolarHBondContact O-CB 3.29Å; T498-L502 VanDerWaalsContact O-CG 3.3Å; T498-L502 WeakPolarHBondContact O-CG 3.44Å; T498-L502 PolarHBondContact O-N 3.44Å; L502-Q504 PolarHBondContact O-N 3.28Å; L502-Q504 VanDerWaalsContact O-N 3.16Å; L502-T505 PolarHBondContact O-N 2.95Å; L502-D506 HydrophobicContact CD2-CB 4.06Å; L502-D506 WeakPolarHBondContact O-CB 3.46Å; L502-D506 PolarHBondContact O-N 3.12Å; L502-F509 HydrophobicContact CB-CD1 3.64Å; L502-F509 HydrophobicContact CB-CE1 3.64Å; L502-F509 HydrophobicContact CB-CG 4.18Å; L502-F509 HydrophobicContact CB-CZ 4.19Å; L502-F509 HydrophobicContact CD1-CD2 4.47Å; L502-F509 HydrophobicContact CD1-CE1 4.41Å; L502-F509 HydrophobicContact CD1-CE2 4.16Å; L502-F509 HydrophobicContact CD1-CZ 4.11Å
503L89.9Confident89.8Confident98 Ų9894.4 Ų94.451%0.51346%0.464SS..Hα-helixtrans-66.4-10.9175.7-71.2172.5000114.5L499 I500 H501 F509 V510 I513L499-L503 WeakPolarHBondContact O-CB 3.49Å; L499-L503 WeakPolarHBondContact O-CG 3.47Å; L499-L503 PolarHBondContact O-N 2.88Å; I500-L503 PolarHBondContact O-N 3.17Å; H501-L503 PolarHBondContact O-N 3.13Å; L503-F509 HydrophobicContact CD2-CD1 4.35Å; L503-F509 HydrophobicContact CD2-CE1 3.96Å; L503-F509 HydrophobicContact CG-CE1 4.15Å; L503-V510 HydrophobicContact CD2-CG2 4.14Å; L503-I513 HydrophobicContact CD2-CD1 4.21Å
504Q90.7Very high90.4Very high152 Ų15295.5 Ų95.571%0.7147%0.466SS*.Hα-helixtrans-111.8-16.3-180-73177.1-10.500114I500 H501 L502I500-Q504 WeakPolarHBondContact O-CB 3.33Å; I500-Q504 VanDerWaalsContact O-CG 3.29Å; I500-Q504 WeakPolarHBondContact O-CG 3.3Å; I500-Q504 PolarHBondContact O-N 2.93Å; H501-Q504 CarbonylContact O-C 3.57Å; H501-Q504 PolarHBondContact O-N 3.42Å; L502-Q504 PolarHBondContact O-N 3.28Å; L502-Q504 VanDerWaalsContact O-N 3.16Å
505T92.5Very high91Very high95 Ų9593 Ų9358%0.58346%0.459SS*.Hα-helixtrans-132.5-16.5-167.3-46.70000113.5H501 L502H501-T505 PolarHBondContact CE1-OG1 2.85Å; H501-T505 VanDerWaalsContact CE1-OG1 3.28Å; H501-T505 PolarHBondContact ND1-OG1 3.13Å; H501-T505 VanDerWaalsContact ND1-OG1 3.13Å; H501-T505 WeakPolarHBondContact O-CB 3.37Å; H501-T505 PolarHBondContact O-N 3.05Å; H501-T505 PolarHBondContact O-OG1 3.34Å; H501-T505 VanDerWaalsContact O-OG1 3.13Å; L502-T505 PolarHBondContact O-N 2.95Å
506D91.2Very high91.2Very high59 Ų5990.7 Ų90.732%0.31646%0.455SS..  trans-118.587.5-178.6-173.5-13.9000110.3L502 D508 F509 V510L502-D506 HydrophobicContact CD2-CB 4.06Å; L502-D506 WeakPolarHBondContact O-CB 3.46Å; L502-D506 PolarHBondContact O-N 3.12Å; D506-D508 PolarHBondContact O-N 3.2Å; D506-D508 WeakPolarHBondContact OD1-CA 3.43Å; D506-D508 VanDerWaalsContact OD1-CB 3.24Å; D506-D508 WeakPolarHBondContact OD1-CB 3.47Å; D506-D508 PolarHBondContact OD1-N 3Å; D506-D508 VanDerWaalsContact OD1-N 3.12Å; D506-F509 HydrophobicContact CB-CB 3.82Å; D506-F509 WeakPolarHBondContact O-CB 3.49Å; D506-F509 PolarHBondContact O-N 3.25Å; D506-F509 PolarHBondContact OD1-N 3.43Å; D506-F509 WeakPolarHBondContact OD2-CB 3.38Å; D506-V510 WeakPolarHBondContact O-CG2 3.45Å; D506-V510 PolarHBondContact O-N 3.17Å
507D92Very high91.2Very high141 Ų14190.6 Ų90.675%0.75446%0.456SS*.Hα-helixtrans-58.5-29.5176-79.6-37.3000112.1V510 H511D507-V510 PolarHBondContact O-N 2.93Å; D507-H511 WeakPolarHBondContact O-CB 3.46Å; D507-H511 PolarHBondContact O-N 3.5Å
508D92.9Very high91.6Very high92 Ų9288.2 Ų88.249%0.49245%0.448SS..Hα-helixtrans-70.1-40.5179.6-129.943.9000110.5D506 R512D506-D508 PolarHBondContact O-N 3.2Å; D506-D508 WeakPolarHBondContact OD1-CA 3.43Å; D506-D508 VanDerWaalsContact OD1-CB 3.24Å; D506-D508 WeakPolarHBondContact OD1-CB 3.47Å; D506-D508 PolarHBondContact OD1-N 3Å; D506-D508 VanDerWaalsContact OD1-N 3.12Å; D508-R512 WeakPolarHBondContact O-CB 3.47Å; D508-R512 WeakPolarHBondContact O-CD 3.24Å; D508-R512 WeakPolarHBondContact O-CG 3.47Å; D508-R512 PolarHBondContact O-N 3.49Å; D508-R512 IonicContact OD2-CZ 3.62Å; D508-R512 IonicContact OD2-NE 3.39Å; D508-R512 IonicContact OD2-NH2 3.21Å; D508-R512 PolarHBondContact OD2-NH2 3.02Å
509F93.6Very high91.8Very high50 Ų5088.8 Ų88.822%0.21945%0.448CS..Hα-helixtrans-65.1-46.5171.1174.9-99.3000112.1L499 L502 L503 D506 H511 R512 I513L499-F509 HydrophobicContact CD2-CZ 4.04Å; L502-F509 HydrophobicContact CB-CD1 3.64Å; L502-F509 HydrophobicContact CB-CE1 3.64Å; L502-F509 HydrophobicContact CB-CG 4.18Å; L502-F509 HydrophobicContact CB-CZ 4.19Å; L502-F509 HydrophobicContact CD1-CD2 4.47Å; L502-F509 HydrophobicContact CD1-CE1 4.41Å; L502-F509 HydrophobicContact CD1-CE2 4.16Å; L502-F509 HydrophobicContact CD1-CZ 4.11Å; L503-F509 HydrophobicContact CD2-CD1 4.35Å; L503-F509 HydrophobicContact CD2-CE1 3.96Å; L503-F509 HydrophobicContact CG-CE1 4.15Å; D506-F509 HydrophobicContact CB-CB 3.82Å; D506-F509 WeakPolarHBondContact O-CB 3.49Å; D506-F509 PolarHBondContact O-N 3.25Å; D506-F509 PolarHBondContact OD1-N 3.43Å; D506-F509 WeakPolarHBondContact OD2-CB 3.38Å; F509-H511 VanDerWaalsContact C-N 3.33Å; F509-H511 PolarHBondContact O-N 2.92Å; F509-R512 PolarHBondContact O-N 3.22Å; F509-I513 HydrophobicContact CD1-CD1 3.99Å; F509-I513 HydrophobicContact CE1-CD1 3.45Å; F509-I513 VanDerWaalsContact CE1-CD1 3.45Å; F509-I513 HydrophobicContact CE2-CD1 4.15Å; F509-I513 HydrophobicContact CZ-CD1 3.55Å; F509-I513 PolarHBondContact O-N 3.29Å
510V93.3Very high91.7Very high53 Ų5388.2 Ų88.232%0.32145%0.448SS..Hα-helixtrans-59.9-44.7175.51750000110.6L503 D506 D507 R512 I513 H514L503-V510 HydrophobicContact CD2-CG2 4.14Å; D506-V510 WeakPolarHBondContact O-CG2 3.45Å; D506-V510 PolarHBondContact O-N 3.17Å; D507-V510 PolarHBondContact O-N 2.93Å; V510-R512 PolarHBondContact O-N 3.13Å; V510-I513 PolarHBondContact O-N 2.93Å; V510-H514 WeakPolarHBondContact O-CB 3.39Å; V510-H514 PolarHBondContact O-N 2.98Å
511H94.2Very high91.5Very high118 Ų11888.9 Ų88.955%0.54645%0.452SS..Hα-helixtrans-62.7-39.4177.3-177.579.9000112.5D507 F509 H514 T515D507-H511 WeakPolarHBondContact O-CB 3.46Å; D507-H511 PolarHBondContact O-N 3.5Å; F509-H511 VanDerWaalsContact C-N 3.33Å; F509-H511 PolarHBondContact O-N 2.92Å; H511-H514 PolarHBondContact O-N 3.46Å; H511-T515 VanDerWaalsContact O-CB 3.24Å; H511-T515 WeakPolarHBondContact O-CB 3.15Å; H511-T515 PolarHBondContact O-N 3.46Å; H511-T515 PolarHBondContact O-OG1 3.03Å
512R93.4Very high91.3Very high167 Ų16789.6 Ų89.663%0.6346%0.455SS*.Hα-helixtrans-64.9-42.3174.6-72.1164.8-159.9-163.99.3112.1D508 F509 V510 G516D508-R512 WeakPolarHBondContact O-CB 3.47Å; D508-R512 WeakPolarHBondContact O-CD 3.24Å; D508-R512 WeakPolarHBondContact O-CG 3.47Å; D508-R512 PolarHBondContact O-N 3.49Å; D508-R512 IonicContact OD2-CZ 3.62Å; D508-R512 IonicContact OD2-NE 3.39Å; D508-R512 IonicContact OD2-NH2 3.21Å; D508-R512 PolarHBondContact OD2-NH2 3.02Å; F509-R512 PolarHBondContact O-N 3.22Å; V510-R512 PolarHBondContact O-N 3.13Å; R512-G516 PolarHBondContact O-N 3.47Å
513I92Very high90.9Very high90 Ų9095.3 Ų95.346%0.46248%0.478SS..Hα-helixtrans-63.1-48.6175.3-70.7175.8000110.7L503 F509 V510 T515 G516 Y517L503-I513 HydrophobicContact CD2-CD1 4.21Å; F509-I513 HydrophobicContact CD1-CD1 3.99Å; F509-I513 HydrophobicContact CE1-CD1 3.45Å; F509-I513 VanDerWaalsContact CE1-CD1 3.45Å; F509-I513 HydrophobicContact CE2-CD1 4.15Å; F509-I513 HydrophobicContact CZ-CD1 3.55Å; F509-I513 PolarHBondContact O-N 3.29Å; V510-I513 PolarHBondContact O-N 2.93Å; I513-T515 PolarHBondContact O-N 3.46Å; I513-G516 PolarHBondContact O-N 3.27Å; I513-Y517 PolarHBondContact O-N 2.95Å
514H95.3Very high90.3Very high108 Ų108100.3 Ų100.350%0.549%0.49SS..Hα-helixtrans-59.6-46.7178.3178.5-95.9000111.8V510 H511 G516 Y517 V518V510-H514 WeakPolarHBondContact O-CB 3.39Å; V510-H514 PolarHBondContact O-N 2.98Å; H511-H514 PolarHBondContact O-N 3.46Å; H514-G516 VanDerWaalsContact C-N 3.32Å; H514-G516 PolarHBondContact O-N 2.81Å; H514-Y517 WeakPolarHBondContact O-CB 3.38Å; H514-Y517 PolarHBondContact O-N 3.36Å; H514-V518 WeakPolarHBondContact O-CG2 3.47Å; H514-V518 PolarHBondContact O-N 3.17Å
515T94.5Very high89.2Confident54 Ų5498.7 Ų98.733%0.33149%0.486SS..Hα-helixtrans-61.4-39.9176.5-640000111.7H511 I513 N519H511-T515 VanDerWaalsContact O-CB 3.24Å; H511-T515 WeakPolarHBondContact O-CB 3.15Å; H511-T515 PolarHBondContact O-N 3.46Å; H511-T515 PolarHBondContact O-OG1 3.03Å; I513-T515 PolarHBondContact O-N 3.46Å; T515-N519 WeakPolarHBondContact O-CB 3.44Å; T515-N519 PolarHBondContact O-N 3.04Å; T515-N519 PolarHBondContact O-ND2 3.04Å
516G91.5Very high87.8Confident36 Ų3699.7 Ų99.737%0.37149%0.494SS..Hα-helixtrans-61.9-43.1172.900000113.1R512 I513 H514 N519 V520R512-G516 PolarHBondContact O-N 3.47Å; I513-G516 PolarHBondContact O-N 3.27Å; H514-G516 VanDerWaalsContact C-N 3.32Å; H514-G516 PolarHBondContact O-N 2.81Å; G516-N519 PolarHBondContact O-N 2.76Å; G516-V520 WeakPolarHBondContact O-CG2 3.45Å; G516-V520 PolarHBondContact O-N 2.85Å; G516-V520 VanDerWaalsContact O-N 3.13Å
517Y92.3Very high86.4Confident144 Ų144106.8 Ų106.857%0.56552%0.522SS*.Hα-helixtrans-62.5-49.5176.8170.4-106.2000112.4I513 H514 N519 V520 L521I513-Y517 PolarHBondContact O-N 2.95Å; H514-Y517 WeakPolarHBondContact O-CB 3.38Å; H514-Y517 PolarHBondContact O-N 3.36Å; Y517-N519 PolarHBondContact O-N 3.45Å; Y517-V520 PolarHBondContact O-N 2.91Å; Y517-V520 VanDerWaalsContact O-N 3.08Å; Y517-L521 HydrophobicContact CD1-CD1 4.23Å; Y517-L521 HydrophobicContact CE1-CD1 3.63Å; Y517-L521 HydrophobicContact CE2-CD1 4.24Å; Y517-L521 HydrophobicContact CE2-CG 4.38Å; Y517-L521 PolarHBondContact O-N 3.18Å
518V91Very high84.2Confident44 Ų44113.2 Ų113.227%0.26754%0.544SS..Hα-helixtrans-59.8-45.8176.9174.60000111H514 V520 L521 E522H514-V518 WeakPolarHBondContact O-CG2 3.47Å; H514-V518 PolarHBondContact O-N 3.17Å; V518-V520 PolarHBondContact O-N 3.07Å; V518-L521 PolarHBondContact O-N 2.94Å; V518-E522 HydrophobicContact CG1-CG 4.27Å; V518-E522 PolarHBondContact O-N 2.8Å
519N88.1Confident83.7Confident68 Ų68114.3 Ų114.336%0.36455%0.546SS..Hα-helixtrans-59.7-27.3175.8-87.8-80.7000113.8T515 G516 Y517 K523T515-N519 WeakPolarHBondContact O-CB 3.44Å; T515-N519 PolarHBondContact O-N 3.04Å; T515-N519 PolarHBondContact O-ND2 3.04Å; G516-N519 PolarHBondContact O-N 2.76Å; Y517-N519 PolarHBondContact O-N 3.45Å; N519-K523 WeakPolarHBondContact O-CB 3.21Å; N519-K523 VanDerWaalsContact O-CD 3.29Å; N519-K523 WeakPolarHBondContact O-CD 3.35Å; N519-K523 WeakPolarHBondContact O-CG 3.29Å; N519-K523 PolarHBondContact O-N 3.45Å
520V88.1Confident83.2Confident67 Ų67117.7 Ų117.741%0.40656%0.563SS.*Hα-helixtrans-81.2-33.6175.4168.90000111.7G516 Y517 V518 R524G516-V520 WeakPolarHBondContact O-CG2 3.45Å; G516-V520 PolarHBondContact O-N 2.85Å; G516-V520 VanDerWaalsContact O-N 3.13Å; Y517-V520 PolarHBondContact O-N 2.91Å; Y517-V520 VanDerWaalsContact O-N 3.08Å; V518-V520 PolarHBondContact O-N 3.07Å; V520-R524 WeakPolarHBondContact O-CB 3.46Å; V520-R524 WeakPolarHBondContact O-CG 3.24Å; V520-R524 PolarHBondContact O-N 3.42Å
521L85.8Confident82.7Confident72 Ų72121.3 Ų121.338%0.37758%0.577SS.*Hα-helixtrans-66.5-50.4171.8-68.5178.2000111.3Y517 V518 K523 R524 L525Y517-L521 HydrophobicContact CD1-CD1 4.23Å; Y517-L521 HydrophobicContact CE1-CD1 3.63Å; Y517-L521 HydrophobicContact CE2-CD1 4.24Å; Y517-L521 HydrophobicContact CE2-CG 4.38Å; Y517-L521 PolarHBondContact O-N 3.18Å; V518-L521 PolarHBondContact O-N 2.94Å; L521-K523 PolarHBondContact O-N 3.08Å; L521-K523 VanDerWaalsContact O-N 3.17Å; L521-R524 PolarHBondContact O-N 2.88Å; L521-L525 WeakPolarHBondContact O-CG 3.16Å; L521-L525 PolarHBondContact O-N 2.88Å
522E84.5Confident82Confident125 Ų125121.5 Ų121.558%0.58458%0.579SS**Hα-helixtrans-61.4-25.3179.8-70.8-175.7179.100113.7V518V518-E522 HydrophobicContact CG1-CG 4.27Å; V518-E522 PolarHBondContact O-N 2.8Å
523K82.2Confident81.3Confident169 Ų169118.6 Ų118.674%0.73558%0.575SS**THydrogen-bonded Turntrans-85.5-12.6174.6-74.2173.5-175.2170.60114.2N519 L521N519-K523 WeakPolarHBondContact O-CB 3.21Å; N519-K523 VanDerWaalsContact O-CD 3.29Å; N519-K523 WeakPolarHBondContact O-CD 3.35Å; N519-K523 WeakPolarHBondContact O-CG 3.29Å; N519-K523 PolarHBondContact O-N 3.45Å; L521-K523 PolarHBondContact O-N 3.08Å; L521-K523 VanDerWaalsContact O-N 3.17Å
524R77.6Confident80.5Confident202 Ų202120.5 Ų120.576%0.76258%0.583SS**THydrogen-bonded Turntrans-110.7-25.4-178.7-75.4178.8171.3167.4-2.3113.5V520 L521V520-R524 WeakPolarHBondContact O-CB 3.46Å; V520-R524 WeakPolarHBondContact O-CG 3.24Å; V520-R524 PolarHBondContact O-N 3.42Å; L521-R524 PolarHBondContact O-N 2.88Å
525L68.2Low79.5Confident118 Ų118121.4 Ų121.462%0.61859%0.589SS**SBendtrans-71.5124.3167.5-68.2170.5000108.6L521 K527L521-L525 WeakPolarHBondContact O-CG 3.16Å; L521-L525 PolarHBondContact O-N 2.88Å; L525-K527 PolarHBondContact O-N 3.2Å
526P62.3Low78.3Confident117 Ų117126.6 Ų126.676%0.7661%0.609SS**PPolyproline II helixtrans-64.1130.6174.526.7-32.9000109.3K528P526-K528 PolarHBondContact O-N 3.36Å
527K62.3Low77.2Confident207 Ų207134.2 Ų134.290%0.963%0.628SS**PPolyproline II helixtrans-64.7117.9167.6-69.3-173.7176.4-1750107.8L525L525-K527 PolarHBondContact O-N 3.2Å
528K44.7Very low75.9Confident277 Ų277133.3 Ų133.3100%1.20463%0.634SS**  trans-88.20-177.3-167177.1-176.9179.40111.3P526P526-K528 PolarHBondContact O-N 3.36Å

Retrieved 528 of 528 residues in 739.2 ms (Link to these results)

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