A0A087XW28_POEFO Loading...

Triosephosphate isomerase

It is also responsible for the non-negligible production of methylglyoxal a reactive cytotoxic side-product that modifies and can alter proteins, DNA and lipids. Triosephosphate isomerase is an extremely efficient metabolic enzyme that catalyzes the interconversion between dihydroxyacetone phosphate (DHAP) and D-glyceraldehyde-3-phosphate (G3P) in glycolysis and gluconeogenesis.

AlphaFold DB , UniProt , Accession A0A087XW28, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 248 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
1A44.6Very low87.8Confident136 Ų13655.7 Ų55.7100%1.12433%0.327SS*.  0133.3000000107.6A3A1-A3 PolarHBondContact O-N 3.48Å
2M53.8Low88.7Confident189 Ų18951.2 Ų51.293%0.93130%0.3SS*.PPolyproline II helixtrans-66.6129.7166.5-74.8-166.1-72.100107
3A81.9Confident89.4Confident97 Ų9750.1 Ų50.180%0.80229%0.289SS*.PPolyproline II helixtrans-62.1141.5179.100000109.9A1 R5A1-A3 PolarHBondContact O-N 3.48Å; A3-R5 PolarHBondContact O-N 2.94Å
4R95.6Very high90.1Very high54 Ų5459.5 Ų59.520%0.20433%0.333CS..PPolyproline II helixtrans-60.6123.6174.6-67.5171.1-67.8-83.44.2108.8F6 E202 L204 R205 G224 D227R4-F6 PolarHBondContact O-N 2.83Å; R4-E202 VanDerWaalsContact CD-O 3.22Å; R4-E202 WeakPolarHBondContact CD-O 3.47Å; R4-E202 WeakPolarHBondContact CG-O 3.36Å; R4-E202 PolarHBondContact NH1-O 3.18Å; R4-E202 IonicContact NH1-OE2 3.65Å; R4-L204 WeakPolarHBondContact CD-O 3.43Å; R4-R205 HydrophobicContact CB-CG 4.37Å; R4-G224 PolarHBondContact NH2-O 3.15Å; R4-D227 WeakPolarHBondContact CD-OD2 3.39Å; R4-D227 IonicContact CZ-OD1 3.41Å; R4-D227 VanDerWaalsContact NE-CG 3.33Å; R4-D227 IonicContact NE-OD1 3.18Å; R4-D227 PolarHBondContact NE-OD1 2.87Å; R4-D227 IonicContact NE-OD2 3.59Å; R4-D227 PolarHBondContact NE-OD2 3.37Å; R4-D227 IonicContact NH2-OD1 3.57Å
5R96.8Very high90.7Very high123 Ų12360.9 Ų60.946%0.46434%0.339SS..PPolyproline II helixtrans-59133.1175.9-169.4-179179.1-172.2-1.9108.9A3 D35 Q36 T37 R205A3-R5 PolarHBondContact O-N 2.94Å; R5-D35 PolarHBondContact NH2-O 2.94Å; R5-Q36 WeakPolarHBondContact CG-O 3.38Å; R5-T37 PolarHBondContact NH2-O 3.31Å; R5-R205 WeakPolarHBondContact O-CD 3.48Å
6F98.5Very high91.1Very high6 Ų659.3 Ų59.33%0.02634%0.341CS..EExtended strand (participates in β ladder)trans-66.1140-179.8-161.5-119.1000109.7R4 V8 Q36 T37 E38 A221 D227 F229 A246 R247R4-F6 PolarHBondContact O-N 2.83Å; F6-V8 HydrophobicContact CD1-CG2 3.88Å; F6-V8 HydrophobicContact CE1-CG2 3.66Å; F6-Q36 PolarHBondContact N-O 3.41Å; F6-T37 HydrophobicContact CD1-CG2 4.02Å; F6-T37 CarbonylContact O-C 3.56Å; F6-T37 WeakPolarHBondContact O-CA 3.28Å; F6-E38 PolarHBondContact O-N 3.3Å; F6-A221 HydrophobicContact CE2-CB 4.08Å; F6-A221 HydrophobicContact CZ-CB 3.75Å; F6-D227 WeakPolarHBondContact CA-O 3.16Å; F6-D227 VanDerWaalsContact CD2-C 3.48Å; F6-D227 WeakPolarHBondContact CD2-O 3.35Å; F6-F229 HydrophobicContact CE1-CD2 4.27Å; F6-F229 HydrophobicContact CE1-CE2 4.07Å; F6-F229 HydrophobicContact CZ-CD2 4.02Å; F6-F229 AromaticContact CZ-CE2 3.56Å; F6-F229 HydrophobicContact CZ-CE2 3.56Å; F6-F229 HydrophobicContact CZ-CZ 4.11Å; F6-A246 HydrophobicContact CE1-CB 4.2Å; F6-A246 HydrophobicContact CZ-CB 4.35Å; F6-R247 HydrophobicContact CD2-CG 4.24Å; F6-R247 HydrophobicContact CE1-CG 4.41Å; F6-R247 HydrophobicContact CE2-CG 4.11Å; F6-R247 HydrophobicContact CG-CG 4.42Å; F6-R247 HydrophobicContact CZ-CG 4.2Å
7F98.8Very high91.5Very high0 Ų060.5 Ų60.50%035%0.346CS..EExtended strand (participates in β ladder)trans-126.6123.4-175.2-176.6-79.8000111.8E38 V40 W90 I124 V161 I207 D227 G228 F229F7-E38 CarbonylContact C-O 3.52Å; F7-E38 WeakPolarHBondContact CA-O 3.48Å; F7-E38 HydrophobicContact CD2-CB 4.04Å; F7-E38 HydrophobicContact CD2-CG 3.95Å; F7-E38 HydrophobicContact CE2-CG 4.14Å; F7-V40 HydrophobicContact CE2-CB 4.49Å; F7-V40 HydrophobicContact CE2-CG2 3.63Å; F7-V40 HydrophobicContact CZ-CB 3.94Å; F7-V40 HydrophobicContact CZ-CG2 3.54Å; F7-W90 HydrophobicContact CE2-CH2 4.08Å; F7-W90 HydrophobicContact CE2-CZ2 4.02Å; F7-W90 HydrophobicContact CE2-CZ3 4.49Å; F7-I124 HydrophobicContact CE1-CD1 3.94Å; F7-I124 HydrophobicContact CE1-CG1 4.26Å; F7-I124 HydrophobicContact CZ-CD1 3.79Å; F7-I124 HydrophobicContact CZ-CG1 4.04Å; F7-V161 HydrophobicContact CD1-CG1 4.1Å; F7-V161 HydrophobicContact CD1-CG2 4.46Å; F7-V161 HydrophobicContact CD2-CG2 3.95Å; F7-V161 HydrophobicContact CE1-CG1 4.29Å; F7-V161 HydrophobicContact CE1-CG2 4.44Å; F7-V161 HydrophobicContact CE2-CG2 3.91Å; F7-V161 HydrophobicContact CG-CG1 4.42Å; F7-V161 HydrophobicContact CG-CG2 4.22Å; F7-V161 HydrophobicContact CZ-CG2 4.16Å; F7-I207 HydrophobicContact CB-CG2 4.05Å; F7-I207 HydrophobicContact CD1-CD1 3.82Å; F7-I207 HydrophobicContact CD1-CG2 4.07Å; F7-I207 HydrophobicContact CE1-CD1 3.99Å; F7-I207 HydrophobicContact CG-CG2 4.46Å; F7-D227 PolarHBondContact N-O 3.09Å; F7-G228 CarbonylContact O-C 3.59Å; F7-G228 WeakPolarHBondContact O-CA 3.28Å; F7-F229 PolarHBondContact O-N 3.36Å
8V98.9Very high91.9Very high0 Ų064.2 Ų64.20%036%0.357CS..EExtended strand (participates in β ladder)trans-124.1107.4177.9-177.20000110.5F6 T37 E38 V39 V40 F229 V231 F240 I243 I244F6-V8 HydrophobicContact CD1-CG2 3.88Å; F6-V8 HydrophobicContact CE1-CG2 3.66Å; V8-T37 HydrophobicContact CB-CG2 4.17Å; V8-T37 HydrophobicContact CG2-CG2 3.81Å; V8-E38 PolarHBondContact N-O 3.29Å; V8-V39 WeakPolarHBondContact O-CA 3.38Å; V8-V40 PolarHBondContact O-N 3.49Å; V8-F229 WeakPolarHBondContact CA-O 3.45Å; V8-F229 HydrophobicContact CG2-CD2 4.24Å; V8-V231 HydrophobicContact CG1-CG2 4.25Å; V8-F240 HydrophobicContact CG1-CD2 4.47Å; V8-F240 HydrophobicContact CG1-CE2 3.5Å; V8-F240 VanDerWaalsContact CG1-CE2 3.5Å; V8-F240 HydrophobicContact CG1-CZ 3.82Å; V8-I243 HydrophobicContact CG1-CG2 4.14Å; V8-I244 HydrophobicContact CB-CG1 4.23Å; V8-I244 HydrophobicContact CG1-CG1 3.95Å
9G98.8Very high92.3Very high1 Ų167.8 Ų67.81%0.0137%0.371CS..EExtended strand (participates in β ladder)trans-92.8129.9172.800000111.7V40 F229 L230 V231G9-V40 CarbonylContact C-O 3.5Å; G9-V40 VanDerWaalsContact CA-O 3.26Å; G9-V40 WeakPolarHBondContact CA-O 3.34Å; G9-F229 PolarHBondContact N-O 3.11Å; G9-L230 CarbonylContact O-C 3.6Å; G9-V231 PolarHBondContact O-N 3.12Å
10G98.8Very high92.6Very high0 Ų066.6 Ų66.60%037%0.368CS..EExtended strand (participates in β ladder)trans-102105.2170.400000110.9W12 V40 A42 V231 S235G10-W12 PolarHBondContact O-N 3.02Å; G10-V40 PolarHBondContact N-O 3.5Å; G10-A42 PolarHBondContact O-N 3.32Å; G10-V231 CarbonylContact C-O 3.54Å; G10-S235 VanDerWaalsContact CA-CB 3.5Å
11N98.8Very high92.9Very high7 Ų763.5 Ų63.54%0.03735%0.351CS..EExtended strand (participates in β ladder)trans-89.8100.7175.3-175.96.8000110.7K13 I92 H95 L230 V231 S235N11-K13 PolarHBondContact O-N 3.47Å; N11-K13 PolarHBondContact OD1-N 3.43Å; N11-I92 HydrophobicContact CB-CD1 3.99Å; N11-H95 PolarHBondContact ND2-NE2 3.35Å; N11-L230 HydrophobicContact CB-CD1 4.18Å; N11-V231 PolarHBondContact N-O 3.46Å; N11-S235 PolarHBondContact O-OG 3.47Å
12W98.8Very high95.4Very high1 Ų162 Ų620%0.00432%0.32CS..  trans-69.4-14.4179.9-60.6-12.2000113G10 N15 L21 L24 I25 C41 A42 A43 A51 L236G10-W12 PolarHBondContact O-N 3.02Å; W12-N15 WeakPolarHBondContact O-CB 3.49Å; W12-N15 PolarHBondContact O-N 2.91Å; W12-N15 PolarHBondContact O-ND2 3.34Å; W12-L21 HydrophobicContact CD2-CD2 4.11Å; W12-L21 HydrophobicContact CE3-CD1 4.33Å; W12-L21 HydrophobicContact CE3-CD2 3.49Å; W12-L21 VanDerWaalsContact CE3-CD2 3.49Å; W12-L21 HydrophobicContact CH2-CD2 4.28Å; W12-L21 HydrophobicContact CZ3-CD1 4.13Å; W12-L21 HydrophobicContact CZ3-CD2 3.6Å; W12-L21 HydrophobicContact CZ3-CG 4.34Å; W12-L24 HydrophobicContact CD2-CD2 4.33Å; W12-L24 HydrophobicContact CZ2-CD2 3.74Å; W12-L24 HydrophobicContact CZ2-CG 4.48Å; W12-I25 HydrophobicContact CH2-CD1 4.23Å; W12-I25 HydrophobicContact CH2-CG1 4.12Å; W12-C41 HydrophobicContact CH2-CB 4.26Å; W12-C41 HydrophobicContact CZ2-CB 3.67Å; W12-A42 WeakPolarHBondContact CB-O 3.47Å; W12-A42 PolarHBondContact N-O 3.43Å; W12-A42 VanDerWaalsContact N-O 3.16Å; W12-A43 HydrophobicContact CE3-CB 3.61Å; W12-A43 HydrophobicContact CZ3-CB 3.56Å; W12-A51 HydrophobicContact CH2-CB 4.23Å; W12-A51 HydrophobicContact CZ3-CB 4.09Å; W12-L236 HydrophobicContact CB-CD2 3.83Å; W12-L236 HydrophobicContact CG-CD2 3.79Å
13K98.6Very high97.6Very high37 Ų3758.2 Ų58.216%0.16130%0.3CS..  trans50.6-146.1-174.7-56.4-176.5174-163.40110.6N11 N15 P44 Q64 E97N11-K13 PolarHBondContact O-N 3.47Å; N11-K13 PolarHBondContact OD1-N 3.43Å; K13-N15 PolarHBondContact O-N 3.13Å; K13-P44 WeakPolarHBondContact O-CG 3.32Å; K13-Q64 PolarHBondContact O-NE2 3.18Å; K13-Q64 PolarHBondContact O-OE1 3.05Å; K13-E97 WeakPolarHBondContact CD-OE1 3.3Å; K13-E97 VanDerWaalsContact CE-OE1 3.3Å; K13-E97 WeakPolarHBondContact CE-OE1 3.49Å; K13-E97 IonicContact NZ-OE1 2.69Å; K13-E97 PolarHBondContact NZ-OE1 2.74Å
14M98.6Very high98.3Very high182 Ų18254.1 Ų54.190%0.89727%0.265SS*.SBendtrans-84.255.4177.4-162.417871.900112.2
15N98.8Very high98.5Very high80 Ų8051.7 Ų51.743%0.42826%0.256SS..  trans-128.9157.4179.7-61.5-86.2000112.9W12 K13 P44 L236W12-N15 WeakPolarHBondContact O-CB 3.49Å; W12-N15 PolarHBondContact O-N 2.91Å; W12-N15 PolarHBondContact O-ND2 3.34Å; K13-N15 PolarHBondContact O-N 3.13Å; N15-P44 WeakPolarHBondContact O-CG 3.49Å; N15-L236 HydrophobicContact CB-CD1 3.62Å; N15-L236 HydrophobicContact CB-CD2 4.34Å
16G97.8Very high98.6Very high35 Ų3549.4 Ų49.436%0.36126%0.256SS..  trans103.3158.8171.800000114.2S20G16-S20 WeakPolarHBondContact CA-OG 3.31Å
17N98.4Very high98.6Very high81 Ų8152 Ų5243%0.43327%0.27SS..  trans-134.3175.3163.462.948.3000107.9E19 S20 L21N17-E19 VanDerWaalsContact C-N 3.31Å; N17-E19 PolarHBondContact O-N 3.4Å; N17-E19 WeakPolarHBondContact OD1-CB 3.3Å; N17-E19 PolarHBondContact OD1-N 3.3Å; N17-E19 VanDerWaalsContact OD1-N 3.1Å; N17-S20 PolarHBondContact N-OG 3.47Å; N17-S20 PolarHBondContact O-N 3.05Å; N17-S20 PolarHBondContact O-OG 3.46Å; N17-S20 PolarHBondContact OD1-N 3.44Å; N17-S20 PolarHBondContact OD1-OG 2.89Å; N17-L21 VanDerWaalsContact O-CB 3.31Å; N17-L21 WeakPolarHBondContact O-CB 3.47Å; N17-L21 VanDerWaalsContact O-CG 3.23Å; N17-L21 WeakPolarHBondContact O-CG 3.35Å; N17-L21 PolarHBondContact O-N 3.07Å
18K98.6Very high98.6Very high127 Ų12752.2 Ų52.255%0.55227%0.27SS*.Hα-helixtrans-54.5-44.7-176.6-73.2-170.6174-173.50113.2E22 Y47 F50K18-E22 VanDerWaalsContact O-CB 3.25Å; K18-E22 WeakPolarHBondContact O-CB 2.89Å; K18-E22 PolarHBondContact O-N 3.27Å; K18-Y47 HydrophobicContact CG-CD1 4.38Å; K18-Y47 HydrophobicContact CG-CE1 4.07Å; K18-F50 HydrophobicContact CB-CE1 4.33Å; K18-F50 HydrophobicContact CB-CZ 4.05Å; K18-F50 HydrophobicContact CD-CE2 4.33Å; K18-F50 HydrophobicContact CG-CE1 4.34Å; K18-F50 HydrophobicContact CG-CE2 4.34Å; K18-F50 HydrophobicContact CG-CZ 4.2Å
19E98.6Very high98.5Very high132 Ų13255.2 Ų55.262%0.61729%0.287SS*.Hα-helixtrans-64.5-50.6-179.2-179.4-177.3-179.600111.6N17 L21 E22 Q23N17-E19 VanDerWaalsContact C-N 3.31Å; N17-E19 PolarHBondContact O-N 3.4Å; N17-E19 WeakPolarHBondContact OD1-CB 3.3Å; N17-E19 PolarHBondContact OD1-N 3.3Å; N17-E19 VanDerWaalsContact OD1-N 3.1Å; E19-L21 VanDerWaalsContact C-N 3.31Å; E19-L21 PolarHBondContact O-N 2.89Å; E19-E22 PolarHBondContact O-N 3.45Å; E19-Q23 WeakPolarHBondContact O-CG 3.45Å; E19-Q23 PolarHBondContact O-N 3.24Å
20S98.3Very high98.5Very high44 Ų4460.5 Ų60.531%0.30832%0.319SS..Hα-helixtrans-66.4-35.2-178.870.60000112.2G16 N17 L24G16-S20 WeakPolarHBondContact CA-OG 3.31Å; N17-S20 PolarHBondContact N-OG 3.47Å; N17-S20 PolarHBondContact O-N 3.05Å; N17-S20 PolarHBondContact O-OG 3.46Å; N17-S20 PolarHBondContact OD1-N 3.44Å; N17-S20 PolarHBondContact OD1-OG 2.89Å; S20-L24 PolarHBondContact O-N 3.27Å; S20-L24 VanDerWaalsContact O-N 3.08Å
21L98.6Very high98.5Very high2 Ų261.9 Ų61.91%0.0133%0.33CS..Hα-helixtrans-72.8-38.6177.5-67.8-178.4000111.5W12 N17 E19 Q23 L24 I25 Y47 F50W12-L21 HydrophobicContact CD2-CD2 4.11Å; W12-L21 HydrophobicContact CE3-CD1 4.33Å; W12-L21 HydrophobicContact CE3-CD2 3.49Å; W12-L21 VanDerWaalsContact CE3-CD2 3.49Å; W12-L21 HydrophobicContact CH2-CD2 4.28Å; W12-L21 HydrophobicContact CZ3-CD1 4.13Å; W12-L21 HydrophobicContact CZ3-CD2 3.6Å; W12-L21 HydrophobicContact CZ3-CG 4.34Å; N17-L21 VanDerWaalsContact O-CB 3.31Å; N17-L21 WeakPolarHBondContact O-CB 3.47Å; N17-L21 VanDerWaalsContact O-CG 3.23Å; N17-L21 WeakPolarHBondContact O-CG 3.35Å; N17-L21 PolarHBondContact O-N 3.07Å; E19-L21 VanDerWaalsContact C-N 3.31Å; E19-L21 PolarHBondContact O-N 2.89Å; L21-Q23 VanDerWaalsContact C-N 3.31Å; L21-Q23 PolarHBondContact O-N 2.92Å; L21-L24 HydrophobicContact CD2-CD2 4.5Å; L21-L24 PolarHBondContact O-N 3.04Å; L21-I25 WeakPolarHBondContact O-CB 3.3Å; L21-I25 WeakPolarHBondContact O-CD1 3.43Å; L21-I25 WeakPolarHBondContact O-CG1 3.44Å; L21-I25 PolarHBondContact O-N 3.4Å; L21-Y47 HydrophobicContact CD1-CD1 4.49Å; L21-Y47 HydrophobicContact CD1-CD2 3.57Å; L21-Y47 HydrophobicContact CD1-CE2 4.27Å; L21-Y47 HydrophobicContact CD1-CG 3.71Å; L21-F50 HydrophobicContact CB-CE1 4.16Å
22E98.6Very high98.4Very high103 Ų10366.7 Ų66.748%0.48136%0.364SS..Hα-helixtrans-61.1-41173.5-175.1174.6177.100111.5K18 E19 I25 T26 F50 L54K18-E22 VanDerWaalsContact O-CB 3.25Å; K18-E22 WeakPolarHBondContact O-CB 2.89Å; K18-E22 PolarHBondContact O-N 3.27Å; E19-E22 PolarHBondContact O-N 3.45Å; E22-I25 PolarHBondContact O-N 3.3Å; E22-T26 WeakPolarHBondContact O-CB 3.43Å; E22-T26 PolarHBondContact O-N 3.04Å; E22-T26 PolarHBondContact O-OG1 3.18Å; E22-F50 HydrophobicContact CB-CZ 4.28Å; E22-L54 HydrophobicContact CB-CD1 4.49Å; E22-L54 HydrophobicContact CG-CD1 4.33Å
23Q98.4Very high98.3Very high110 Ų11068.8 Ų68.851%0.51438%0.376SS..Hα-helixtrans-61.8-47173.9-70.7170.75.200111.9E19 L21 T26 I27E19-Q23 WeakPolarHBondContact O-CG 3.45Å; E19-Q23 PolarHBondContact O-N 3.24Å; L21-Q23 VanDerWaalsContact C-N 3.31Å; L21-Q23 PolarHBondContact O-N 2.92Å; Q23-T26 PolarHBondContact O-N 3.49Å; Q23-I27 WeakPolarHBondContact O-CG1 3.38Å; Q23-I27 PolarHBondContact O-N 3.39Å; Q23-I27 VanDerWaalsContact O-N 3.1Å
24L98.4Very high98.2Very high11 Ų1168.6 Ų68.66%0.05838%0.376CS..Hα-helixtrans-61-46.2177.2178.362.2000111.9W12 S20 L21 T26 I27 L28 L236W12-L24 HydrophobicContact CD2-CD2 4.33Å; W12-L24 HydrophobicContact CZ2-CD2 3.74Å; W12-L24 HydrophobicContact CZ2-CG 4.48Å; S20-L24 PolarHBondContact O-N 3.27Å; S20-L24 VanDerWaalsContact O-N 3.08Å; L21-L24 HydrophobicContact CD2-CD2 4.5Å; L21-L24 PolarHBondContact O-N 3.04Å; L24-T26 VanDerWaalsContact C-N 3.34Å; L24-T26 PolarHBondContact O-N 3.36Å; L24-I27 WeakPolarHBondContact O-CB 3.48Å; L24-I27 PolarHBondContact O-N 3Å; L24-L28 HydrophobicContact CG-CD1 4.47Å; L24-L28 WeakPolarHBondContact O-CG 3.47Å; L24-L28 PolarHBondContact O-N 3.39Å; L24-L28 VanDerWaalsContact O-N 3.11Å; L24-L236 HydrophobicContact CD2-CD2 4.24Å
25I98.7Very high98.1Very high3 Ų365.6 Ų65.62%0.01536%0.364CS..Hα-helixtrans-64.6-39.6179.3-69167.1000110.8W12 L21 E22 I27 L28 N29 A51 L54 L55W12-I25 HydrophobicContact CH2-CD1 4.23Å; W12-I25 HydrophobicContact CH2-CG1 4.12Å; L21-I25 WeakPolarHBondContact O-CB 3.3Å; L21-I25 WeakPolarHBondContact O-CD1 3.43Å; L21-I25 WeakPolarHBondContact O-CG1 3.44Å; L21-I25 PolarHBondContact O-N 3.4Å; E22-I25 PolarHBondContact O-N 3.3Å; I25-I27 VanDerWaalsContact C-N 3.3Å; I25-I27 PolarHBondContact O-N 3.42Å; I25-L28 PolarHBondContact O-N 2.97Å; I25-L28 VanDerWaalsContact O-N 3.16Å; I25-N29 WeakPolarHBondContact O-CB 3.47Å; I25-N29 VanDerWaalsContact O-CG 3.28Å; I25-N29 PolarHBondContact O-N 3.33Å; I25-N29 PolarHBondContact O-OD1 2.86Å; I25-A51 HydrophobicContact CD1-CB 4.3Å; I25-L54 HydrophobicContact CD1-CB 4.14Å; I25-L54 HydrophobicContact CD1-CD1 4.45Å; I25-L54 HydrophobicContact CG2-CB 3.78Å; I25-L55 HydrophobicContact CB-CD2 4.34Å; I25-L55 HydrophobicContact CB-CG 4.49Å; I25-L55 HydrophobicContact CD1-CG 4.26Å; I25-L55 HydrophobicContact CG1-CD2 4.02Å; I25-L55 HydrophobicContact CG1-CG 3.92Å; I25-L55 HydrophobicContact CG2-CB 4.49Å; I25-L55 HydrophobicContact CG2-CD2 3.89Å; I25-L55 HydrophobicContact CG2-CG 3.9Å
26T98.6Very high98Very high75 Ų7567.6 Ų67.646%0.4637%0.371SS..Hα-helixtrans-60.8-40.5175.5-60.50000111.6E22 Q23 L24 T30E22-T26 WeakPolarHBondContact O-CB 3.43Å; E22-T26 PolarHBondContact O-N 3.04Å; E22-T26 PolarHBondContact O-OG1 3.18Å; Q23-T26 PolarHBondContact O-N 3.49Å; L24-T26 VanDerWaalsContact C-N 3.34Å; L24-T26 PolarHBondContact O-N 3.36Å; T26-T30 HydrophobicContact CG2-CG2 4.48Å; T26-T30 WeakPolarHBondContact O-CB 3.27Å; T26-T30 VanDerWaalsContact O-CG2 3.31Å; T26-T30 WeakPolarHBondContact O-CG2 3.36Å; T26-T30 PolarHBondContact O-N 2.86Å; T26-T30 VanDerWaalsContact O-N 3.17Å; T26-T30 PolarHBondContact O-OG1 2.94Å
27I98.3Very high98Very high62 Ų6266.2 Ų66.232%0.31836%0.355SS..Hα-helixtrans-60.9-47.9174.6-67.6163.7000110Q23 L24 I25 T30 A31 P238 V241Q23-I27 WeakPolarHBondContact O-CG1 3.38Å; Q23-I27 PolarHBondContact O-N 3.39Å; Q23-I27 VanDerWaalsContact O-N 3.1Å; L24-I27 WeakPolarHBondContact O-CB 3.48Å; L24-I27 PolarHBondContact O-N 3Å; I25-I27 VanDerWaalsContact C-N 3.3Å; I25-I27 PolarHBondContact O-N 3.42Å; I27-T30 PolarHBondContact O-N 3.41Å; I27-T30 PolarHBondContact O-OG1 3.13Å; I27-A31 VanDerWaalsContact O-CB 3.31Å; I27-A31 WeakPolarHBondContact O-CB 3.39Å; I27-A31 PolarHBondContact O-N 2.87Å; I27-P238 HydrophobicContact CD1-CG 4.26Å; I27-V241 HydrophobicContact CG2-CG2 4.17Å
28L98.4Very high98Very high3 Ų364.2 Ų64.22%0.01634%0.343CS..Hα-helixtrans-64.5-42.6-178.5-66.1172.3000112.7L24 I25 T30 A31 L55 I59 F240 V241 I244L24-L28 HydrophobicContact CG-CD1 4.47Å; L24-L28 WeakPolarHBondContact O-CG 3.47Å; L24-L28 PolarHBondContact O-N 3.39Å; L24-L28 VanDerWaalsContact O-N 3.11Å; I25-L28 PolarHBondContact O-N 2.97Å; I25-L28 VanDerWaalsContact O-N 3.16Å; L28-T30 VanDerWaalsContact C-N 3.27Å; L28-T30 PolarHBondContact O-N 3.18Å; L28-A31 PolarHBondContact O-N 2.86Å; L28-L55 HydrophobicContact CB-CD2 4.42Å; L28-L55 HydrophobicContact CD1-CD2 4.16Å; L28-I59 HydrophobicContact CB-CD1 3.95Å; L28-F240 HydrophobicContact CD2-CD1 3.88Å; L28-F240 HydrophobicContact CD2-CE1 4.41Å; L28-V241 HydrophobicContact CD2-CG2 4.28Å; L28-I244 HydrophobicContact CD2-CD1 4.08Å
29N98.6Very high98Very high64 Ų6458.5 Ų58.534%0.34232%0.319SS..Hα-helixtrans-68.6-24.3180-70.7-2.7000113.5I25 L54 D56I25-N29 WeakPolarHBondContact O-CB 3.47Å; I25-N29 VanDerWaalsContact O-CG 3.28Å; I25-N29 PolarHBondContact O-N 3.33Å; I25-N29 PolarHBondContact O-OD1 2.86Å; N29-L54 PolarHBondContact ND2-O 2.85Å; N29-D56 PolarHBondContact OD1-N 3.06Å
30T98.1Very high98.1Very high112 Ų11252.3 Ų52.369%0.68729%0.29SS*.Hα-helixtrans-99.4-13.3-178.356.30000113.2T26 I27 L28T26-T30 HydrophobicContact CG2-CG2 4.48Å; T26-T30 WeakPolarHBondContact O-CB 3.27Å; T26-T30 VanDerWaalsContact O-CG2 3.31Å; T26-T30 WeakPolarHBondContact O-CG2 3.36Å; T26-T30 PolarHBondContact O-N 2.86Å; T26-T30 VanDerWaalsContact O-N 3.17Å; T26-T30 PolarHBondContact O-OG1 2.94Å; I27-T30 PolarHBondContact O-N 3.41Å; I27-T30 PolarHBondContact O-OG1 3.13Å; L28-T30 VanDerWaalsContact C-N 3.27Å; L28-T30 PolarHBondContact O-N 3.18Å
31A97.8Very high98.1Very high29 Ų2950.2 Ų50.224%0.2428%0.276CS..SBendtrans-73.5150.9179.800000112.2I27 L28 L33 V241I27-A31 VanDerWaalsContact O-CB 3.31Å; I27-A31 WeakPolarHBondContact O-CB 3.39Å; I27-A31 PolarHBondContact O-N 2.87Å; L28-A31 PolarHBondContact O-N 2.86Å; A31-L33 HydrophobicContact CB-CD2 3.78Å; A31-L33 HydrophobicContact CB-CG 4.49Å; A31-L33 PolarHBondContact O-N 3.01Å; A31-V241 HydrophobicContact CB-CB 4.47Å; A31-V241 HydrophobicContact CB-CG1 3.84Å; A31-V241 HydrophobicContact CB-CG2 3.71Å
32S97.2Very high98.1Very high107 Ų10750.2 Ų50.275%0.74828%0.276SS*.  trans-80.9107.1165.7-171.70000108.5N245S32-N245 PolarHBondContact O-ND2 3.17Å
33L97.9Very high98.1Very high46 Ų4645.3 Ų45.324%0.24125%0.253CS..  trans-99.4139.1177.4-51-176.1000109.7A31 D35 V39 I59 V241 I244A31-L33 HydrophobicContact CB-CD2 3.78Å; A31-L33 HydrophobicContact CB-CG 4.49Å; A31-L33 PolarHBondContact O-N 3.01Å; L33-D35 PolarHBondContact O-N 3.42Å; L33-V39 HydrophobicContact CD1-CG2 4.49Å; L33-I59 HydrophobicContact CD1-CD1 3.9Å; L33-I59 HydrophobicContact CD1-CG1 4.2Å; L33-V241 HydrophobicContact CD2-CG1 4.2Å; L33-I244 HydrophobicContact CB-CG2 4.18Å; L33-I244 HydrophobicContact CD2-CD1 4.09Å; L33-I244 HydrophobicContact CD2-CG2 4.08Å
34D96.7Very high98.1Very high32 Ų3240.9 Ų40.917%0.17123%0.233CC..  trans-57.6124.6173.4-174.60.2000110.9Q36 T37 N245 A248D34-Q36 PolarHBondContact O-N 3.1Å; D34-Q36 PolarHBondContact OD1-N 3Å; D34-T37 PolarHBondContact O-N 3.41Å; D34-T37 VanDerWaalsContact O-N 3.09Å; D34-N245 PolarHBondContact N-OD1 3.16Å; D34-A248 HydrophobicContact CB-CB 4.16Å
35D95.6Very high98.2Very high120 Ų12044 Ų4464%0.64226%0.256SS*.THydrogen-bonded Turntrans-70.4-18.6-178.269.31.6000112.6R5 L33 T37R5-D35 PolarHBondContact NH2-O 2.94Å; L33-D35 PolarHBondContact O-N 3.42Å; D35-T37 VanDerWaalsContact C-N 3.26Å; D35-T37 PolarHBondContact O-N 2.83Å
36Q96.4Very high98.2Very high122 Ų12250.2 Ų50.257%0.5729%0.288SS*.THydrogen-bonded Turntrans-82-2.4173.6-56.3-50.9-59.700113.3R5 F6 D34R5-Q36 WeakPolarHBondContact CG-O 3.38Å; F6-Q36 PolarHBondContact N-O 3.41Å; D34-Q36 PolarHBondContact O-N 3.1Å; D34-Q36 PolarHBondContact OD1-N 3Å
37T98.4Very high98.2Very high5 Ų549 Ų493%0.03128%0.275CS..EExtended strand (participates in β ladder)trans-103.5131176.5-610000110.9R5 F6 V8 D34 D35 V39 I244R5-T37 PolarHBondContact NH2-O 3.31Å; F6-T37 HydrophobicContact CD1-CG2 4.02Å; F6-T37 CarbonylContact O-C 3.56Å; F6-T37 WeakPolarHBondContact O-CA 3.28Å; V8-T37 HydrophobicContact CB-CG2 4.17Å; V8-T37 HydrophobicContact CG2-CG2 3.81Å; D34-T37 PolarHBondContact O-N 3.41Å; D34-T37 VanDerWaalsContact O-N 3.09Å; D35-T37 VanDerWaalsContact C-N 3.26Å; D35-T37 PolarHBondContact O-N 2.83Å; T37-V39 HydrophobicContact CG2-CG2 4.01Å; T37-I244 HydrophobicContact CG2-CG2 4.02Å; T37-I244 PolarHBondContact OG1-O 3.21Å
38E98.6Very high98.2Very high40 Ų4046.3 Ų46.319%0.18726%0.262CS..EExtended strand (participates in β ladder)trans-87.9123.8165.3-175174.5-17800108.9F6 F7 V8 W90 R205F6-E38 PolarHBondContact O-N 3.3Å; F7-E38 CarbonylContact C-O 3.52Å; F7-E38 WeakPolarHBondContact CA-O 3.48Å; F7-E38 HydrophobicContact CD2-CB 4.04Å; F7-E38 HydrophobicContact CD2-CG 3.95Å; F7-E38 HydrophobicContact CE2-CG 4.14Å; V8-E38 PolarHBondContact N-O 3.29Å; E38-W90 WeakPolarHBondContact OE1-CZ2 3.21Å; E38-R205 IonicContact OE1-NH1 3.98Å; E38-R205 IonicContact OE2-CZ 2.72Å; E38-R205 IonicContact OE2-NH1 2.84Å; E38-R205 PolarHBondContact OE2-NH1 3.25Å
39V98.8Very high98.2Very high7 Ų751.1 Ų51.14%0.04229%0.287CS..EExtended strand (participates in β ladder)trans-112.9131.9-176.2-173.20000109.5V8 L33 T37 I59 G60 I244V8-V39 WeakPolarHBondContact O-CA 3.38Å; L33-V39 HydrophobicContact CD1-CG2 4.49Å; T37-V39 HydrophobicContact CG2-CG2 4.01Å; V39-I59 HydrophobicContact CB-CG2 4.28Å; V39-I59 HydrophobicContact CG1-CG2 3.97Å; V39-G60 PolarHBondContact O-N 2.89Å; V39-I244 HydrophobicContact CG1-CD1 3.73Å; V39-I244 HydrophobicContact CG1-CG1 4.18Å; V39-I244 HydrophobicContact CG2-CB 4.49Å; V39-I244 HydrophobicContact CG2-CD1 4.1Å; V39-I244 HydrophobicContact CG2-CG1 4.06Å; V39-I244 HydrophobicContact CG2-CG2 3.62Å
40V98.9Very high98.2Very high2 Ų249.9 Ų49.91%0.01228%0.279CS..EExtended strand (participates in β ladder)trans-132.8130.1178.1179.80000110.5F7 V8 G9 G10 G60 W90 I124F7-V40 HydrophobicContact CE2-CB 4.49Å; F7-V40 HydrophobicContact CE2-CG2 3.63Å; F7-V40 HydrophobicContact CZ-CB 3.94Å; F7-V40 HydrophobicContact CZ-CG2 3.54Å; V8-V40 PolarHBondContact O-N 3.49Å; G9-V40 CarbonylContact C-O 3.5Å; G9-V40 VanDerWaalsContact CA-O 3.26Å; G9-V40 WeakPolarHBondContact CA-O 3.34Å; G10-V40 PolarHBondContact N-O 3.5Å; V40-G60 CarbonylContact C-O 3.54Å; V40-G60 WeakPolarHBondContact CA-O 3.3Å; V40-W90 HydrophobicContact CG1-CB 3.97Å; V40-W90 HydrophobicContact CG1-CG 3.97Å; V40-W90 HydrophobicContact CG2-CD2 4.44Å; V40-W90 HydrophobicContact CG2-CG 4.26Å; V40-I124 HydrophobicContact CG1-CD1 4.44Å
41C98.9Very high98.2Very high0 Ų044.6 Ų44.60%025%0.246CC..EExtended strand (participates in β ladder)trans-107.8119.9175.6-67.40000111.3W12 L55 G60 V61 S62W12-C41 HydrophobicContact CH2-CB 4.26Å; W12-C41 HydrophobicContact CZ2-CB 3.67Å; C41-L55 HydrophobicContact CB-CD1 4.01Å; C41-G60 PolarHBondContact N-O 3.25Å; C41-V61 WeakPolarHBondContact O-CA 3.45Å; C41-S62 PolarHBondContact O-N 2.78Å
42A98.9Very high98.3Very high2 Ų245.2 Ų45.22%0.01724%0.242CC..EExtended strand (participates in β ladder)trans-95100.5178.200000111.6G10 W12 S62 Q64 I92G10-A42 PolarHBondContact O-N 3.32Å; W12-A42 WeakPolarHBondContact CB-O 3.47Å; W12-A42 PolarHBondContact N-O 3.43Å; W12-A42 VanDerWaalsContact N-O 3.16Å; A42-S62 VanDerWaalsContact CA-O 3.23Å; A42-S62 WeakPolarHBondContact CA-O 3.42Å; A42-Q64 HydrophobicContact CB-CG 4.01Å; A42-Q64 PolarHBondContact O-NE2 2.82Å; A42-I92 HydrophobicContact CB-CD1 3.4Å; A42-I92 HydrophobicContact CB-CG1 4.18Å
43A98.8Very high98.3Very high0 Ų044 Ų440%023%0.234CC..EExtended strand (participates in β ladder)trans-90153.3-175.500000112.5W12 S45 A51 S62 Q64W12-A43 HydrophobicContact CE3-CB 3.61Å; W12-A43 HydrophobicContact CZ3-CB 3.56Å; A43-S45 PolarHBondContact O-N 3.31Å; A43-A51 HydrophobicContact CB-CB 4Å; A43-S62 PolarHBondContact N-O 3.36Å; A43-S62 VanDerWaalsContact N-O 3.15Å; A43-Q64 VanDerWaalsContact C-NE2 3.33Å; A43-Q64 WeakPolarHBondContact O-CG 3.47Å
44P98.9Very high98.4Very high16 Ų1644.8 Ų44.810%0.10424%0.238CC..  trans-53.1141.3164.5-20.829.1000110.5K13 N15 I46 Y47 L48K13-P44 WeakPolarHBondContact O-CG 3.32Å; N15-P44 WeakPolarHBondContact O-CG 3.49Å; P44-I46 HydrophobicContact CB-CG2 4.45Å; P44-I46 PolarHBondContact O-N 3.18Å; P44-I46 VanDerWaalsContact O-N 3.1Å; P44-Y47 HydrophobicContact CB-CD2 4.02Å; P44-Y47 HydrophobicContact CG-CD2 4.02Å; P44-Y47 CarbonylContact O-C 3.6Å; P44-Y47 WeakPolarHBondContact O-CA 3.23Å; P44-Y47 PolarHBondContact O-N 2.99Å; P44-L48 PolarHBondContact O-N 3.25Å
45S98.8Very high98.5Very high76 Ų7643.6 Ų43.653%0.53123%0.232SC..G310 helixtrans-55.5-35.2-173.554.20000113.9A43 Y47 L48A43-S45 PolarHBondContact O-N 3.31Å; S45-Y47 PolarHBondContact O-N 2.91Å; S45-L48 WeakPolarHBondContact O-CB 3.33Å; S45-L48 PolarHBondContact O-N 3.48Å
46I98.8Very high98.6Very high135 Ų13541.7 Ų41.769%0.69222%0.222SC*.G310 helixtrans-66.8-15.7177.5-161.4169000113.8P44P44-I46 HydrophobicContact CB-CG2 4.45Å; P44-I46 PolarHBondContact O-N 3.18Å; P44-I46 VanDerWaalsContact O-N 3.1Å
47Y98.8Very high98.6Very high49 Ų4941.4 Ų41.419%0.19223%0.23CC..G310 helixtrans-116.99.8179.2-57.1-54.1000112.9K18 L21 P44 S45 F50 A51K18-Y47 HydrophobicContact CG-CD1 4.38Å; K18-Y47 HydrophobicContact CG-CE1 4.07Å; L21-Y47 HydrophobicContact CD1-CD1 4.49Å; L21-Y47 HydrophobicContact CD1-CD2 3.57Å; L21-Y47 HydrophobicContact CD1-CE2 4.27Å; L21-Y47 HydrophobicContact CD1-CG 3.71Å; P44-Y47 HydrophobicContact CB-CD2 4.02Å; P44-Y47 HydrophobicContact CG-CD2 4.02Å; P44-Y47 CarbonylContact O-C 3.6Å; P44-Y47 WeakPolarHBondContact O-CA 3.23Å; P44-Y47 PolarHBondContact O-N 2.99Å; S45-Y47 PolarHBondContact O-N 2.91Å; Y47-F50 PolarHBondContact O-N 3.05Å; Y47-A51 WeakPolarHBondContact O-CB 3.21Å; Y47-A51 PolarHBondContact O-N 2.89Å
48L98.6Very high98.5Very high6 Ų644.1 Ų44.13%0.03126%0.26CS..Hα-helixtrans-61.7-53.2-175.3-169.867.5000112.1P44 S45 F50 A51 R52 V61 S62 A63 I83 C86 A88P44-L48 PolarHBondContact O-N 3.25Å; S45-L48 WeakPolarHBondContact O-CB 3.33Å; S45-L48 PolarHBondContact O-N 3.48Å; L48-F50 PolarHBondContact O-N 3.47Å; L48-A51 PolarHBondContact O-N 3.42Å; L48-R52 PolarHBondContact O-N 3.15Å; L48-V61 HydrophobicContact CD1-CG1 3.56Å; L48-V61 HydrophobicContact CG-CG1 4.44Å; L48-S62 WeakPolarHBondContact CD1-O 3.44Å; L48-A63 HydrophobicContact CD1-CB 4.47Å; L48-A63 HydrophobicContact CD2-CB 4.32Å; L48-I83 HydrophobicContact CD2-CB 4.46Å; L48-I83 HydrophobicContact CD2-CG1 4.27Å; L48-I83 HydrophobicContact CD2-CG2 4.29Å; L48-C86 HydrophobicContact CD2-CB 4.11Å; L48-C86 HydrophobicContact CG-CB 4.28Å; L48-A88 HydrophobicContact CD1-CB 3.97Å; L48-A88 HydrophobicContact CD2-CB 4.14Å; L48-A88 HydrophobicContact CG-CB 4.1Å
49D98.6Very high98.5Very high103 Ų10342.5 Ų42.555%0.55125%0.252SS*.Hα-helixtrans-62.1-41.8176.3-176.950.1000111.8A51 R52 S53 C86D49-A51 PolarHBondContact O-N 2.63Å; D49-R52 PolarHBondContact O-N 3.09Å; D49-S53 WeakPolarHBondContact O-CB 3.19Å; D49-S53 PolarHBondContact O-N 3.39Å; D49-S53 PolarHBondContact O-OG 3.39Å; D49-C86 HydrophobicContact CB-CB 4.23Å
50F98.8Very high98.5Very high39 Ų3942.8 Ų42.817%0.17126%0.256CS..Hα-helixtrans-59.5-48.4175.5176.5-103.1000111.9K18 L21 E22 Y47 L48 S53 L54K18-F50 HydrophobicContact CB-CE1 4.33Å; K18-F50 HydrophobicContact CB-CZ 4.05Å; K18-F50 HydrophobicContact CD-CE2 4.33Å; K18-F50 HydrophobicContact CG-CE1 4.34Å; K18-F50 HydrophobicContact CG-CE2 4.34Å; K18-F50 HydrophobicContact CG-CZ 4.2Å; L21-F50 HydrophobicContact CB-CE1 4.16Å; E22-F50 HydrophobicContact CB-CZ 4.28Å; Y47-F50 PolarHBondContact O-N 3.05Å; L48-F50 PolarHBondContact O-N 3.47Å; F50-S53 PolarHBondContact O-N 3.49Å; F50-S53 PolarHBondContact O-OG 3.46Å; F50-L54 HydrophobicContact CD1-CD1 4.37Å; F50-L54 HydrophobicContact CD2-CD1 4.17Å; F50-L54 HydrophobicContact CE1-CD1 3.77Å; F50-L54 HydrophobicContact CE2-CD1 3.53Å; F50-L54 HydrophobicContact CE2-CG 4.41Å; F50-L54 HydrophobicContact CZ-CD1 3.31Å; F50-L54 PolarHBondContact O-N 3.29Å
51A98.7Very high98.5Very high0 Ų042.7 Ų42.70%026%0.256CS..Hα-helixtrans-62-45.2178.300000111.4W12 I25 A43 Y47 L48 D49 S53 L54 L55W12-A51 HydrophobicContact CH2-CB 4.23Å; W12-A51 HydrophobicContact CZ3-CB 4.09Å; I25-A51 HydrophobicContact CD1-CB 4.3Å; A43-A51 HydrophobicContact CB-CB 4Å; Y47-A51 WeakPolarHBondContact O-CB 3.21Å; Y47-A51 PolarHBondContact O-N 2.89Å; L48-A51 PolarHBondContact O-N 3.42Å; D49-A51 PolarHBondContact O-N 2.63Å; A51-S53 VanDerWaalsContact C-N 3.32Å; A51-S53 PolarHBondContact O-N 3.14Å; A51-L54 PolarHBondContact O-N 3.03Å; A51-L55 HydrophobicContact CB-CD1 4.32Å; A51-L55 WeakPolarHBondContact O-CB 3.5Å; A51-L55 WeakPolarHBondContact O-CG 3.37Å; A51-L55 PolarHBondContact O-N 3.41Å
52R98.6Very high98.5Very high42 Ų4242.7 Ų42.716%0.15826%0.256CS..Hα-helixtrans-62.9-38.7177.5-176.762.7-76.5165.75.3112.5L48 D49 L54 L55 D56 I59 V61 G87L48-R52 PolarHBondContact O-N 3.15Å; D49-R52 PolarHBondContact O-N 3.09Å; R52-L54 PolarHBondContact O-N 2.55Å; R52-L55 PolarHBondContact NH2-O 3.44Å; R52-D56 PolarHBondContact NH2-O 3.08Å; R52-I59 PolarHBondContact NH1-O 3.33Å; R52-I59 PolarHBondContact NH2-O 3.21Å; R52-V61 HydrophobicContact CB-CB 4.49Å; R52-V61 HydrophobicContact CB-CG2 4.16Å; R52-G87 WeakPolarHBondContact CD-O 3.49Å; R52-G87 WeakPolarHBondContact CG-O 3.12Å
53S98.6Very high98.5Very high82 Ų8242.6 Ų42.657%0.57326%0.255SS*.Hα-helixtrans-66.3-22179.874.90000114.2D49 F50 A51D49-S53 WeakPolarHBondContact O-CB 3.19Å; D49-S53 PolarHBondContact O-N 3.39Å; D49-S53 PolarHBondContact O-OG 3.39Å; F50-S53 PolarHBondContact O-N 3.49Å; F50-S53 PolarHBondContact O-OG 3.46Å; A51-S53 VanDerWaalsContact C-N 3.32Å; A51-S53 PolarHBondContact O-N 3.14Å
54L98.6Very high98.6Very high62 Ų6244.7 Ų44.733%0.32527%0.265SS..Hα-helixtrans-109.1-33-175.9-64.8-177.6000114.1E22 I25 N29 F50 A51 R52E22-L54 HydrophobicContact CB-CD1 4.49Å; E22-L54 HydrophobicContact CG-CD1 4.33Å; I25-L54 HydrophobicContact CD1-CB 4.14Å; I25-L54 HydrophobicContact CD1-CD1 4.45Å; I25-L54 HydrophobicContact CG2-CB 3.78Å; N29-L54 PolarHBondContact ND2-O 2.85Å; F50-L54 HydrophobicContact CD1-CD1 4.37Å; F50-L54 HydrophobicContact CD2-CD1 4.17Å; F50-L54 HydrophobicContact CE1-CD1 3.77Å; F50-L54 HydrophobicContact CE2-CD1 3.53Å; F50-L54 HydrophobicContact CE2-CG 4.41Å; F50-L54 HydrophobicContact CZ-CD1 3.31Å; F50-L54 PolarHBondContact O-N 3.29Å; A51-L54 PolarHBondContact O-N 3.03Å; R52-L54 PolarHBondContact O-N 2.55Å
55L98.6Very high98.6Very high7 Ų745.2 Ų45.24%0.03727%0.267CS..SBendtrans-66.4142.4-179.9-83.4162.7000111.2I25 L28 C41 A51 R52 I59 V61I25-L55 HydrophobicContact CB-CD2 4.34Å; I25-L55 HydrophobicContact CB-CG 4.49Å; I25-L55 HydrophobicContact CD1-CG 4.26Å; I25-L55 HydrophobicContact CG1-CD2 4.02Å; I25-L55 HydrophobicContact CG1-CG 3.92Å; I25-L55 HydrophobicContact CG2-CB 4.49Å; I25-L55 HydrophobicContact CG2-CD2 3.89Å; I25-L55 HydrophobicContact CG2-CG 3.9Å; L28-L55 HydrophobicContact CB-CD2 4.42Å; L28-L55 HydrophobicContact CD1-CD2 4.16Å; C41-L55 HydrophobicContact CB-CD1 4.01Å; A51-L55 HydrophobicContact CB-CD1 4.32Å; A51-L55 WeakPolarHBondContact O-CB 3.5Å; A51-L55 WeakPolarHBondContact O-CG 3.37Å; A51-L55 PolarHBondContact O-N 3.41Å; R52-L55 PolarHBondContact NH2-O 3.44Å; L55-I59 HydrophobicContact CD2-CB 4.36Å; L55-I59 HydrophobicContact CD2-CD1 4.01Å; L55-I59 HydrophobicContact CD2-CG2 4.1Å; L55-V61 HydrophobicContact CD1-CG2 3.63Å
56D98.1Very high98.6Very high80 Ų8041.6 Ų41.643%0.42824%0.242SC..  trans-50.2136.2169.8-173.2-83.6000110.4N29 R52 G58 I59N29-D56 PolarHBondContact OD1-N 3.06Å; R52-D56 PolarHBondContact NH2-O 3.08Å; D56-G58 PolarHBondContact O-N 3.36Å; D56-G58 VanDerWaalsContact O-N 3.1Å; D56-G58 WeakPolarHBondContact OD1-CA 3.34Å; D56-G58 PolarHBondContact OD1-N 2.95Å; D56-I59 HydrophobicContact CB-CD1 4.41Å; D56-I59 HydrophobicContact CB-CG1 4.48Å; D56-I59 PolarHBondContact O-N 3.35Å
57P97.1Very high98.6Very high116 Ų11637.4 Ų37.475%0.75322%0.218SC*.THydrogen-bonded Turntrans-57.7-22.9-179.8-2635.1000114.5I59P57-I59 VanDerWaalsContact C-N 3.27Å; P57-I59 PolarHBondContact O-N 3.02Å
58G97.2Very high98.6Very high63 Ų6338.4 Ų38.465%0.64922%0.223SC*.THydrogen-bonded Turntrans-72.7-15.5174.100000114.3D56D56-G58 PolarHBondContact O-N 3.36Å; D56-G58 VanDerWaalsContact O-N 3.1Å; D56-G58 WeakPolarHBondContact OD1-CA 3.34Å; D56-G58 PolarHBondContact OD1-N 2.95Å
59I98.6Very high98.5Very high5 Ų540.8 Ų40.83%0.02624%0.238CC..SBendtrans-97.8121.8174-57.3173000108.6L28 L33 V39 R52 L55 D56 P57L28-I59 HydrophobicContact CB-CD1 3.95Å; L33-I59 HydrophobicContact CD1-CD1 3.9Å; L33-I59 HydrophobicContact CD1-CG1 4.2Å; V39-I59 HydrophobicContact CB-CG2 4.28Å; V39-I59 HydrophobicContact CG1-CG2 3.97Å; R52-I59 PolarHBondContact NH1-O 3.33Å; R52-I59 PolarHBondContact NH2-O 3.21Å; L55-I59 HydrophobicContact CD2-CB 4.36Å; L55-I59 HydrophobicContact CD2-CD1 4.01Å; L55-I59 HydrophobicContact CD2-CG2 4.1Å; D56-I59 HydrophobicContact CB-CD1 4.41Å; D56-I59 HydrophobicContact CB-CG1 4.48Å; D56-I59 PolarHBondContact O-N 3.35Å; P57-I59 VanDerWaalsContact C-N 3.27Å; P57-I59 PolarHBondContact O-N 3.02Å
60G98.6Very high98.5Very high13 Ų1338.1 Ų38.113%0.13423%0.229CC..EExtended strand (participates in β ladder)trans-69.4152.8176.700000112.5V39 V40 C41V39-G60 PolarHBondContact O-N 2.89Å; V40-G60 CarbonylContact C-O 3.54Å; V40-G60 WeakPolarHBondContact CA-O 3.3Å; C41-G60 PolarHBondContact N-O 3.25Å
61V98.9Very high98.5Very high0 Ų045 Ų450%026%0.259CS..EExtended strand (participates in β ladder)trans-116.7135.3172.1177.50000109.3C41 L48 R52 L55 A88 D89 W90C41-V61 WeakPolarHBondContact O-CA 3.45Å; L48-V61 HydrophobicContact CD1-CG1 3.56Å; L48-V61 HydrophobicContact CG-CG1 4.44Å; R52-V61 HydrophobicContact CB-CB 4.49Å; R52-V61 HydrophobicContact CB-CG2 4.16Å; L55-V61 HydrophobicContact CD1-CG2 3.63Å; V61-A88 HydrophobicContact CB-CB 4.16Å; V61-A88 HydrophobicContact CG1-CB 3.93Å; V61-A88 WeakPolarHBondContact O-CB 3.43Å; V61-D89 PolarHBondContact O-N 2.83Å; V61-W90 PolarHBondContact O-N 2.62Å
62S98.9Very high98.4Very high0 Ų047.8 Ų47.80%029%0.289CS..EExtended strand (participates in β ladder)trans-119144.4178.8-175.50000111.2C41 A42 A43 L48 W90 V91 I92C41-S62 PolarHBondContact O-N 2.78Å; A42-S62 VanDerWaalsContact CA-O 3.23Å; A42-S62 WeakPolarHBondContact CA-O 3.42Å; A43-S62 PolarHBondContact N-O 3.36Å; A43-S62 VanDerWaalsContact N-O 3.15Å; L48-S62 WeakPolarHBondContact CD1-O 3.44Å; S62-W90 CarbonylContact C-O 3.53Å; S62-W90 WeakPolarHBondContact CA-O 3.03Å; S62-W90 PolarHBondContact OG-O 2.75Å; S62-V91 VanDerWaalsContact OG-CA 3.31Å; S62-V91 WeakPolarHBondContact OG-CA 3.48Å; S62-V91 PolarHBondContact OG-N 3.49Å; S62-I92 PolarHBondContact OG-N 3.07Å
63A98.9Very high98.4Very high0 Ų050.6 Ų50.60%032%0.32CS..EExtended strand (participates in β ladder)trans-76.4159157.400000110.4L48 I78 I83 W90 V91 I92L48-A63 HydrophobicContact CD1-CB 4.47Å; L48-A63 HydrophobicContact CD2-CB 4.32Å; A63-I78 HydrophobicContact CB-CD1 4.37Å; A63-I83 HydrophobicContact CB-CD1 3.43Å; A63-I83 VanDerWaalsContact CB-CD1 3.43Å; A63-I83 HydrophobicContact CB-CG1 3.73Å; A63-I83 HydrophobicContact CB-CG2 4.1Å; A63-W90 PolarHBondContact N-O 3.25Å; A63-V91 HydrophobicContact CB-CB 4.45Å; A63-V91 HydrophobicContact CB-CG2 4.1Å; A63-V91 WeakPolarHBondContact O-CA 3.21Å; A63-I92 PolarHBondContact O-N 3.22Å
64Q98.9Very high98.4Very high45 Ų4550.8 Ų50.821%0.2131%0.311CS..SBendtrans-91.1-12.9178.4-68.8173.1-4.400113.6K13 A42 A43 I92K13-Q64 PolarHBondContact O-NE2 3.18Å; K13-Q64 PolarHBondContact O-OE1 3.05Å; A42-Q64 HydrophobicContact CB-CG 4.01Å; A42-Q64 PolarHBondContact O-NE2 2.82Å; A43-Q64 VanDerWaalsContact C-NE2 3.33Å; A43-Q64 WeakPolarHBondContact O-CG 3.47Å; Q64-I92 CarbonylContact C-O 3.43Å
65N98.9Very high98.4Very high27 Ų2755 Ų5514%0.14434%0.34CS..  trans-168.5160.4176-170.622.7000109.2R98 K112N65-R98 PolarHBondContact ND2-NE 3.06Å; N65-R98 VanDerWaalsContact ND2-NE 3.17Å; N65-K112 PolarHBondContact ND2-NZ 2.65Å; N65-K112 PolarHBondContact OD1-NZ 3.14Å
66C98.9Very high98.4Very high0 Ų058.2 Ų58.20%038%0.375CS..  trans-148.3172.7165.873.60000110.8I78 P80 I83 V91 K112C66-I78 CarbonylContact C-O 3.57Å; C66-I78 WeakPolarHBondContact CA-O 3.49Å; C66-P80 HydrophobicContact CB-CG 4.38Å; C66-I83 HydrophobicContact CB-CD1 3.51Å; C66-V91 HydrophobicContact CB-CG2 4.06Å; C66-K112 WeakPolarHBondContact O-CD 3.46Å; C66-K112 WeakPolarHBondContact O-CE 3.4Å; C66-K112 PolarHBondContact O-NZ 3.12Å
67Y98.9Very high98.5Very high47 Ų4757.8 Ų57.818%0.18437%0.37CS..  trans-97.5168175.3-153.8-118.3000113V69 F74 E77 I78 P80Y67-V69 VanDerWaalsContact C-N 3.33Å; Y67-V69 HydrophobicContact CD1-CG2 3.81Å; Y67-V69 HydrophobicContact CE1-CG2 4.1Å; Y67-V69 PolarHBondContact O-N 2.84Å; Y67-F74 HydrophobicContact CD1-CB 4.41Å; Y67-F74 HydrophobicContact CD1-CD1 4.12Å; Y67-F74 HydrophobicContact CD1-CD2 4.17Å; Y67-F74 HydrophobicContact CD1-CE1 4.46Å; Y67-F74 AromaticContact CD1-CG 3.96Å; Y67-F74 HydrophobicContact CD1-CG 3.96Å; Y67-F74 HydrophobicContact CE1-CB 4.4Å; Y67-F74 AromaticContact CE1-CD1 3.34Å; Y67-F74 HydrophobicContact CE1-CD1 3.34Å; Y67-F74 HydrophobicContact CE1-CD2 4.05Å; Y67-F74 AromaticContact CE1-CE1 3.45Å; Y67-F74 HydrophobicContact CE1-CE1 3.45Å; Y67-F74 VanDerWaalsContact CE1-CE1 3.45Å; Y67-F74 HydrophobicContact CE1-CE2 4.17Å; Y67-F74 AromaticContact CE1-CG 3.66Å; Y67-F74 HydrophobicContact CE1-CG 3.66Å; Y67-F74 AromaticContact CE1-CZ 3.88Å; Y67-F74 HydrophobicContact CE1-CZ 3.88Å; Y67-F74 AromaticContact CZ-CD1 3.76Å; Y67-F74 AromaticContact CZ-CE1 3.96Å; Y67-E77 HydrophobicContact CD2-CB 4.41Å; Y67-E77 HydrophobicContact CD2-CG 3.75Å; Y67-E77 WeakPolarHBondContact CD2-OE2 3.45Å; Y67-E77 HydrophobicContact CE2-CG 4.26Å; Y67-E77 HydrophobicContact CG-CB 4.18Å; Y67-E77 HydrophobicContact CG-CG 3.99Å; Y67-I78 PolarHBondContact N-O 3.33Å; Y67-P80 WeakPolarHBondContact O-CD 3.09Å
68K98.6Very high98.5Very high70 Ų7054.5 Ų54.530%0.30435%0.346SS..SBendtrans-866.9-172.562.1171.2171.1-178.50115.3L108 Q111 K112 H115K68-L108 HydrophobicContact CD-CD1 3.87Å; K68-L108 HydrophobicContact CG-CD1 4.4Å; K68-Q111 HydrophobicContact CB-CB 4.07Å; K68-Q111 HydrophobicContact CD-CB 3.91Å; K68-K112 HydrophobicContact CB-CG 4.07Å; K68-H115 PolarHBondContact O-CD2 3.35Å
69V98.4Very high98.6Very high56 Ų5651.7 Ų51.734%0.33932%0.316SS..SBendtrans-144.3154.3175.9-64.70000111Y67 K71 F74 S79 H115Y67-V69 VanDerWaalsContact C-N 3.33Å; Y67-V69 HydrophobicContact CD1-CG2 3.81Å; Y67-V69 HydrophobicContact CE1-CG2 4.1Å; Y67-V69 PolarHBondContact O-N 2.84Å; V69-K71 PolarHBondContact O-N 3.47Å; V69-F74 HydrophobicContact CG2-CD2 3.9Å; V69-F74 HydrophobicContact CG2-CE2 3.35Å; V69-F74 HydrophobicContact CG2-CZ 3.92Å; V69-S79 WeakPolarHBondContact O-CB 3.29Å; V69-H115 WeakPolarHBondContact CA-NE2 2.97Å; V69-H115 PolarHBondContact N-CD2 3.48Å
70A97.4Very high98.6Very high46 Ų4651.5 Ų51.538%0.3832%0.315SS..SBendtrans-69.5-31.2-171.500000114.3S79 H115A70-S79 WeakPolarHBondContact O-CB 3.48Å; A70-S79 PolarHBondContact O-OG 2.91Å; A70-H115 PolarHBondContact N-NE2 3.31Å
71K98.2Very high98.6Very high183 Ų18353.3 Ų53.380%0.79633%0.329SS*.SBendtrans-163.5159.7-179.660.4-176.6177.5-176.70111.4V69V69-K71 PolarHBondContact O-N 3.47Å
72G98.3Very high98.6Very high60 Ų6058 Ų5862%0.61935%0.352SS*.SBendtrans156.1-165.2172.500000113.2F74G72-F74 PolarHBondContact O-N 3.18Å
73A98.4Very high98.6Very high100 Ų10058 Ų5883%0.82635%0.352SS*.SBendtrans-82.165.9178.600000111.5
74F98.5Very high98.6Very high86 Ų8661.9 Ų61.938%0.37737%0.369SS..  trans-124.970.4-178.4-54.5-75.4000110.1Y67 V69 G72 G76 E77Y67-F74 HydrophobicContact CD1-CB 4.41Å; Y67-F74 HydrophobicContact CD1-CD1 4.12Å; Y67-F74 HydrophobicContact CD1-CD2 4.17Å; Y67-F74 HydrophobicContact CD1-CE1 4.46Å; Y67-F74 AromaticContact CD1-CG 3.96Å; Y67-F74 HydrophobicContact CD1-CG 3.96Å; Y67-F74 HydrophobicContact CE1-CB 4.4Å; Y67-F74 AromaticContact CE1-CD1 3.34Å; Y67-F74 HydrophobicContact CE1-CD1 3.34Å; Y67-F74 HydrophobicContact CE1-CD2 4.05Å; Y67-F74 AromaticContact CE1-CE1 3.45Å; Y67-F74 HydrophobicContact CE1-CE1 3.45Å; Y67-F74 VanDerWaalsContact CE1-CE1 3.45Å; Y67-F74 HydrophobicContact CE1-CE2 4.17Å; Y67-F74 AromaticContact CE1-CG 3.66Å; Y67-F74 HydrophobicContact CE1-CG 3.66Å; Y67-F74 AromaticContact CE1-CZ 3.88Å; Y67-F74 HydrophobicContact CE1-CZ 3.88Å; Y67-F74 AromaticContact CZ-CD1 3.76Å; Y67-F74 AromaticContact CZ-CE1 3.96Å; V69-F74 HydrophobicContact CG2-CD2 3.9Å; V69-F74 HydrophobicContact CG2-CE2 3.35Å; V69-F74 HydrophobicContact CG2-CZ 3.92Å; G72-F74 PolarHBondContact O-N 3.18Å; F74-G76 PolarHBondContact O-N 3.44Å; F74-E77 HydrophobicContact CB-CB 4.11Å; F74-E77 HydrophobicContact CB-CG 4.21Å; F74-E77 PolarHBondContact O-N 2.76Å; F74-E77 VanDerWaalsContact O-N 3.15Å
75T98.6Very high98.6Very high151 Ų15166.7 Ų66.793%0.92640%0.396SS*.THydrogen-bonded Turntrans-56.2122.1-175.6-59.10000111.7
76G98.4Very high98.5Very high75 Ų7567 Ų6777%0.77340%0.4SS*.THydrogen-bonded Turntrans96.6-15.8177.500000114.8F74F74-G76 PolarHBondContact O-N 3.44Å
77E98.9Very high98.5Very high70 Ų7068.5 Ų68.533%0.32742%0.416SS..  trans-82155175.4-67.5-64.3125.600112Y67 F74Y67-E77 HydrophobicContact CD2-CB 4.41Å; Y67-E77 HydrophobicContact CD2-CG 3.75Å; Y67-E77 WeakPolarHBondContact CD2-OE2 3.45Å; Y67-E77 HydrophobicContact CE2-CG 4.26Å; Y67-E77 HydrophobicContact CG-CB 4.18Å; Y67-E77 HydrophobicContact CG-CG 3.99Å; F74-E77 HydrophobicContact CB-CB 4.11Å; F74-E77 HydrophobicContact CB-CG 4.21Å; F74-E77 PolarHBondContact O-N 2.76Å; F74-E77 VanDerWaalsContact O-N 3.15Å
78I98.9Very high98.5Very high47 Ų4766.3 Ų66.324%0.24141%0.407CS..  trans-116.6149.6168.465.8173000109.7A63 C66 Y67 M82 I83A63-I78 HydrophobicContact CB-CD1 4.37Å; C66-I78 CarbonylContact C-O 3.57Å; C66-I78 WeakPolarHBondContact CA-O 3.49Å; Y67-I78 PolarHBondContact N-O 3.33Å; I78-M82 HydrophobicContact CB-SD 4.21Å; I78-M82 HydrophobicContact CG2-SD 4.46Å; I78-I83 HydrophobicContact CD1-CD1 4.17Å; I78-I83 HydrophobicContact CD1-CG1 4Å
79S98.9Very high98.4Very high5 Ų567.3 Ų67.34%0.03542%0.415CS..  trans-105160.3-179.767.80000112.4V69 A70 A81 M82 I83V69-S79 WeakPolarHBondContact O-CB 3.29Å; A70-S79 WeakPolarHBondContact O-CB 3.48Å; A70-S79 PolarHBondContact O-OG 2.91Å; S79-A81 PolarHBondContact O-N 3.48Å; S79-M82 WeakPolarHBondContact O-CB 3.12Å; S79-M82 PolarHBondContact O-N 2.88Å; S79-M82 PolarHBondContact OG-N 3.47Å; S79-I83 WeakPolarHBondContact O-CG1 3.35Å; S79-I83 PolarHBondContact O-N 2.85Å; S79-I83 VanDerWaalsContact O-N 3.14Å
80P98.8Very high98.4Very high0 Ų065.8 Ų65.80%040%0.404CS..Hα-helixtrans-50.9-36.2170-31.238.3000113.8C66 Y67 M82 I83 K84 A116 S119 L121C66-P80 HydrophobicContact CB-CG 4.38Å; Y67-P80 WeakPolarHBondContact O-CD 3.09Å; P80-M82 PolarHBondContact O-N 3.3Å; P80-I83 PolarHBondContact O-N 2.89Å; P80-K84 PolarHBondContact O-N 2.63Å; P80-A116 HydrophobicContact CG-CB 4.43Å; P80-S119 WeakPolarHBondContact CB-OG 3.32Å; P80-L121 HydrophobicContact CB-CD1 3.7Å; P80-L121 HydrophobicContact CB-CG 4.43Å; P80-L121 HydrophobicContact CG-CD1 4.44Å
81A98.3Very high98.5Very high51 Ų5163.6 Ų63.642%0.42139%0.386SS..Hα-helixtrans-62.5-40.3176.700000112.6S79 D85S79-A81 PolarHBondContact O-N 3.48Å; A81-D85 WeakPolarHBondContact O-CB 3.45Å; A81-D85 PolarHBondContact O-N 2.89Å; A81-D85 VanDerWaalsContact O-N 3.07Å
82M98.9Very high98.5Very high98 Ų9855 Ų5548%0.48335%0.348SS..Hα-helixtrans-68.4-37.3175.8-65.4171.4178.200111.8I78 S79 P80 D85 C86I78-M82 HydrophobicContact CB-SD 4.21Å; I78-M82 HydrophobicContact CG2-SD 4.46Å; S79-M82 WeakPolarHBondContact O-CB 3.12Å; S79-M82 PolarHBondContact O-N 2.88Å; S79-M82 PolarHBondContact OG-N 3.47Å; P80-M82 PolarHBondContact O-N 3.3Å; M82-D85 WeakPolarHBondContact O-CB 3.31Å; M82-D85 PolarHBondContact O-N 3.23Å; M82-C86 PolarHBondContact O-N 3.31Å; M82-C86 VanDerWaalsContact O-N 3.15Å; M82-C86 PolarHBondContact O-SG 3.28Å
83I98.9Very high98.6Very high0 Ų052.2 Ų52.20%032%0.319CS..Hα-helixtrans-62.7-46.8178.6-66.2165.7000110.1L48 A63 C66 I78 S79 P80 D85 C86 A88 V91 L121L48-I83 HydrophobicContact CD2-CB 4.46Å; L48-I83 HydrophobicContact CD2-CG1 4.27Å; L48-I83 HydrophobicContact CD2-CG2 4.29Å; A63-I83 HydrophobicContact CB-CD1 3.43Å; A63-I83 VanDerWaalsContact CB-CD1 3.43Å; A63-I83 HydrophobicContact CB-CG1 3.73Å; A63-I83 HydrophobicContact CB-CG2 4.1Å; C66-I83 HydrophobicContact CB-CD1 3.51Å; I78-I83 HydrophobicContact CD1-CD1 4.17Å; I78-I83 HydrophobicContact CD1-CG1 4Å; S79-I83 WeakPolarHBondContact O-CG1 3.35Å; S79-I83 PolarHBondContact O-N 2.85Å; S79-I83 VanDerWaalsContact O-N 3.14Å; P80-I83 PolarHBondContact O-N 2.89Å; I83-D85 VanDerWaalsContact C-N 3.33Å; I83-D85 PolarHBondContact O-N 3.39Å; I83-C86 PolarHBondContact O-N 3.21Å; I83-A88 HydrophobicContact CG2-CB 3.73Å; I83-A88 PolarHBondContact O-N 2.8Å; I83-V91 HydrophobicContact CD1-CB 4.46Å; I83-V91 HydrophobicContact CD1-CG2 4.27Å; I83-L121 HydrophobicContact CB-CD1 4.15Å; I83-L121 HydrophobicContact CD1-CD1 4.21Å; I83-L121 HydrophobicContact CG2-CD1 3.99Å; I83-L121 HydrophobicContact CG2-CD2 3.97Å
84K98.3Very high98.6Very high82 Ų8247.5 Ų47.536%0.35728%0.28SS..Hα-helixtrans-63.6-36.8174.9-74.7-164.459163.70113.2P80 C86 G87 S119 D120 L121P80-K84 PolarHBondContact O-N 2.63Å; K84-C86 PolarHBondContact O-N 3.15Å; K84-G87 WeakPolarHBondContact O-CA 3.32Å; K84-G87 PolarHBondContact O-N 3.44Å; K84-S119 WeakPolarHBondContact CD-O 3.49Å; K84-D120 IonicContact NZ-OD2 3.3Å; K84-D120 PolarHBondContact NZ-OD2 3.4Å; K84-L121 HydrophobicContact CD-CD2 4.14Å; K84-L121 HydrophobicContact CD-CG 4.48Å; K84-L121 HydrophobicContact CG-CD2 3.45Å; K84-L121 VanDerWaalsContact CG-CD2 3.45Å; K84-L121 HydrophobicContact CG-CG 4.12Å
85D98.4Very high98.6Very high146 Ų14643.8 Ų43.878%0.78126%0.264SS*.Hα-helixtrans-62.3-33.3177-168.857.2000111.9A81 M82 I83 G87A81-D85 WeakPolarHBondContact O-CB 3.45Å; A81-D85 PolarHBondContact O-N 2.89Å; A81-D85 VanDerWaalsContact O-N 3.07Å; M82-D85 WeakPolarHBondContact O-CB 3.31Å; M82-D85 PolarHBondContact O-N 3.23Å; I83-D85 VanDerWaalsContact C-N 3.33Å; I83-D85 PolarHBondContact O-N 3.39Å; D85-G87 PolarHBondContact O-N 2.64Å
86C98.4Very high98.5Very high35 Ų3537.1 Ų37.124%0.23622%0.224CC..THydrogen-bonded Turntrans-77.42.7170.9-63.30000114.3L48 D49 M82 I83 K84 A88L48-C86 HydrophobicContact CD2-CB 4.11Å; L48-C86 HydrophobicContact CG-CB 4.28Å; D49-C86 HydrophobicContact CB-CB 4.23Å; M82-C86 PolarHBondContact O-N 3.31Å; M82-C86 VanDerWaalsContact O-N 3.15Å; M82-C86 PolarHBondContact O-SG 3.28Å; I83-C86 PolarHBondContact O-N 3.21Å; K84-C86 PolarHBondContact O-N 3.15Å; C86-A88 VanDerWaalsContact C-N 3.32Å; C86-A88 PolarHBondContact O-N 2.91Å
87G97.9Very high98.5Very high31 Ų3136.9 Ų36.932%0.3220%0.203SC..THydrogen-bonded Turntrans72.818.5-178.500000114.8R52 K84 D85R52-G87 WeakPolarHBondContact CD-O 3.49Å; R52-G87 WeakPolarHBondContact CG-O 3.12Å; K84-G87 WeakPolarHBondContact O-CA 3.32Å; K84-G87 PolarHBondContact O-N 3.44Å; D85-G87 PolarHBondContact O-N 2.64Å
88A98.4Very high98.5Very high0 Ų035.7 Ų35.70%020%0.195CC..  trans-91.5140172.400000110.4L48 V61 I83 C86 L121L48-A88 HydrophobicContact CD1-CB 3.97Å; L48-A88 HydrophobicContact CD2-CB 4.14Å; L48-A88 HydrophobicContact CG-CB 4.1Å; V61-A88 HydrophobicContact CB-CB 4.16Å; V61-A88 HydrophobicContact CG1-CB 3.93Å; V61-A88 WeakPolarHBondContact O-CB 3.43Å; I83-A88 HydrophobicContact CG2-CB 3.73Å; I83-A88 PolarHBondContact O-N 2.8Å; C86-A88 VanDerWaalsContact C-N 3.32Å; C86-A88 PolarHBondContact O-N 2.91Å; A88-L121 WeakPolarHBondContact O-CD2 3.31Å
89D97.1Very high98.5Very high91 Ų9134.6 Ų34.649%0.48719%0.188SC..  trans-111.7-4.1-172.1-59.9-47.4000113V61 G122V61-D89 PolarHBondContact O-N 2.83Å; D89-G122 PolarHBondContact O-N 3.17Å
90W98.9Very high98.4Very high25 Ų2538 Ų3810%0.09520%0.203CC..EExtended strand (participates in β ladder)trans-126.7156.5-176.3-72.591.1000112.9F7 E38 V40 V61 S62 A63 G122 I124 V161F7-W90 HydrophobicContact CE2-CH2 4.08Å; F7-W90 HydrophobicContact CE2-CZ2 4.02Å; F7-W90 HydrophobicContact CE2-CZ3 4.49Å; E38-W90 WeakPolarHBondContact OE1-CZ2 3.21Å; V40-W90 HydrophobicContact CG1-CB 3.97Å; V40-W90 HydrophobicContact CG1-CG 3.97Å; V40-W90 HydrophobicContact CG2-CD2 4.44Å; V40-W90 HydrophobicContact CG2-CG 4.26Å; V61-W90 PolarHBondContact O-N 2.62Å; S62-W90 CarbonylContact C-O 3.53Å; S62-W90 WeakPolarHBondContact CA-O 3.03Å; S62-W90 PolarHBondContact OG-O 2.75Å; A63-W90 PolarHBondContact N-O 3.25Å; W90-G122 CarbonylContact C-O 3.4Å; W90-G122 WeakPolarHBondContact CA-O 3.39Å; W90-I124 HydrophobicContact CE3-CD1 4.49Å; W90-I124 HydrophobicContact CE3-CG1 3.85Å; W90-I124 HydrophobicContact CZ3-CG1 4.21Å; W90-V161 HydrophobicContact CH2-CG2 3.85Å; W90-V161 HydrophobicContact CZ3-CG2 3.92Å
91V98.9Very high98.4Very high0 Ų043.2 Ų43.20%024%0.235CC..EExtended strand (participates in β ladder)trans-142.7137.4166.962.60000111.5S62 A63 C66 I83 L93 A116 L121 G122 V123 I124S62-V91 VanDerWaalsContact OG-CA 3.31Å; S62-V91 WeakPolarHBondContact OG-CA 3.48Å; S62-V91 PolarHBondContact OG-N 3.49Å; A63-V91 HydrophobicContact CB-CB 4.45Å; A63-V91 HydrophobicContact CB-CG2 4.1Å; A63-V91 WeakPolarHBondContact O-CA 3.21Å; C66-V91 HydrophobicContact CB-CG2 4.06Å; I83-V91 HydrophobicContact CD1-CB 4.46Å; I83-V91 HydrophobicContact CD1-CG2 4.27Å; V91-L93 HydrophobicContact CG1-CD1 4.15Å; V91-L93 HydrophobicContact CG1-CG 4.16Å; V91-L93 HydrophobicContact CG2-CD2 4.14Å; V91-L93 HydrophobicContact CG2-CG 4.19Å; V91-A116 HydrophobicContact CG1-CB 3.8Å; V91-L121 HydrophobicContact CB-CD1 4.38Å; V91-L121 HydrophobicContact CG1-CD1 4.1Å; V91-G122 PolarHBondContact N-O 3.11Å; V91-V123 HydrophobicContact CG1-CG2 4.2Å; V91-V123 WeakPolarHBondContact O-CA 3.33Å; V91-I124 PolarHBondContact O-N 3.49Å
92I98.9Very high98.4Very high2 Ų247.2 Ų47.21%0.0124%0.243CC..EExtended strand (participates in β ladder)trans-83.5131.2168-60.8173.9000108.8N11 A42 S62 A63 Q64 H95 I124 L230N11-I92 HydrophobicContact CB-CD1 3.99Å; A42-I92 HydrophobicContact CB-CD1 3.4Å; A42-I92 HydrophobicContact CB-CG1 4.18Å; S62-I92 PolarHBondContact OG-N 3.07Å; A63-I92 PolarHBondContact O-N 3.22Å; Q64-I92 CarbonylContact C-O 3.43Å; I92-H95 HydrophobicContact CG2-CB 4.02Å; I92-I124 WeakPolarHBondContact CA-O 3.47Å; I92-I124 HydrophobicContact CG1-CB 4.11Å; I92-I124 HydrophobicContact CG1-CD1 3.98Å; I92-I124 HydrophobicContact CG1-CG2 4.49Å; I92-L230 HydrophobicContact CD1-CD1 4.08Å
93L98.9Very high98.4Very high1 Ų145.4 Ų45.41%0.00525%0.249CC..EExtended strand (participates in β ladder)trans-134.1143.7178.5-69.5177000111.6V91 H95 K112 V113 A116 V123 I124 C126V91-L93 HydrophobicContact CG1-CD1 4.15Å; V91-L93 HydrophobicContact CG1-CG 4.16Å; V91-L93 HydrophobicContact CG2-CD2 4.14Å; V91-L93 HydrophobicContact CG2-CG 4.19Å; L93-H95 VanDerWaalsContact C-N 3.26Å; L93-H95 PolarHBondContact O-N 2.94Å; L93-K112 HydrophobicContact CD1-CB 3.8Å; L93-K112 HydrophobicContact CD2-CB 3.91Å; L93-K112 HydrophobicContact CD2-CD 3.99Å; L93-K112 HydrophobicContact CG-CB 4.46Å; L93-V113 HydrophobicContact CB-CG2 4.44Å; L93-V113 HydrophobicContact CD1-CG2 4.04Å; L93-A116 HydrophobicContact CD1-CB 4.17Å; L93-V123 HydrophobicContact CB-CG1 4.31Å; L93-V123 HydrophobicContact CD1-CG1 3.99Å; L93-V123 HydrophobicContact CD1-CG2 4.49Å; L93-V123 HydrophobicContact CG-CG1 4.41Å; L93-I124 PolarHBondContact N-O 2.83Å; L93-C126 PolarHBondContact O-N 2.97Å
94G98.7Very high98.4Very high1 Ų145.9 Ų45.91%0.0125%0.251CS..SBendtrans7019-18000000114.7R99 C126G94-R99 VanDerWaalsContact O-CD 3.3Å; G94-R99 WeakPolarHBondContact O-CD 3.3Å; G94-R99 PolarHBondContact O-NE 3.34Å; G94-C126 WeakPolarHBondContact O-CB 3.15Å
95H98.8Very high98.4Very high8 Ų845 Ų454%0.03726%0.256CS..  trans-53.3144.7173.4-174.2-97.7000110.9N11 I92 L93 E97 R98 R99 E165N11-H95 PolarHBondContact ND2-NE2 3.35Å; I92-H95 HydrophobicContact CG2-CB 4.02Å; L93-H95 VanDerWaalsContact C-N 3.26Å; L93-H95 PolarHBondContact O-N 2.94Å; H95-E97 IonicContact CE1-OE1 3.78Å; H95-E97 IonicContact CE1-OE2 2.74Å; H95-E97 PolarHBondContact CE1-OE2 3.14Å; H95-E97 PolarHBondContact ND1-N 3.05Å; H95-E97 IonicContact ND1-OE2 3.66Å; H95-E97 PolarHBondContact O-N 3.25Å; H95-E97 VanDerWaalsContact O-N 3.11Å; H95-R98 HydrophobicContact CB-CG 4.4Å; H95-R98 WeakPolarHBondContact O-CA 3.48Å; H95-R98 VanDerWaalsContact O-CB 3.27Å; H95-R98 WeakPolarHBondContact O-CB 3.33Å; H95-R98 PolarHBondContact O-N 2.66Å; H95-R99 PolarHBondContact O-N 2.72Å; H95-R99 VanDerWaalsContact O-N 3.11Å; H95-E165 IonicContact CD2-OE2 3.61Å; H95-E165 PolarHBondContact CD2-OE2 3.5Å; H95-E165 IonicContact NE2-OE1 3.75Å; H95-E165 IonicContact NE2-OE2 3.94Å
96S97.5Very high98.4Very high12 Ų1240.8 Ų40.88%0.08423%0.233CC..Hα-helixtrans-52.1-38.9-175.160.60000113.6R98 R99 H100 I170S96-R98 VanDerWaalsContact C-N 3.34Å; S96-R98 PolarHBondContact O-N 2.92Å; S96-R99 PolarHBondContact O-N 2.97Å; S96-H100 WeakPolarHBondContact O-CB 3.38Å; S96-H100 PolarHBondContact O-CD2 3.42Å; S96-H100 PolarHBondContact O-N 3.02Å; S96-I170 WeakPolarHBondContact OG-CD1 3.25Å
97E98.1Very high98.4Very high70 Ų7045.5 Ų45.533%0.32725%0.252SS..Hα-helixtrans-61.4-40.2175.1-68.9161.4-170.100111.7K13 H95 V101 F102K13-E97 WeakPolarHBondContact CD-OE1 3.3Å; K13-E97 VanDerWaalsContact CE-OE1 3.3Å; K13-E97 WeakPolarHBondContact CE-OE1 3.49Å; K13-E97 IonicContact NZ-OE1 2.69Å; K13-E97 PolarHBondContact NZ-OE1 2.74Å; H95-E97 IonicContact CE1-OE1 3.78Å; H95-E97 IonicContact CE1-OE2 2.74Å; H95-E97 PolarHBondContact CE1-OE2 3.14Å; H95-E97 PolarHBondContact ND1-N 3.05Å; H95-E97 IonicContact ND1-OE2 3.66Å; H95-E97 PolarHBondContact O-N 3.25Å; H95-E97 VanDerWaalsContact O-N 3.11Å; E97-V101 WeakPolarHBondContact O-CA 3.4Å; E97-V101 WeakPolarHBondContact O-CB 3.43Å; E97-V101 PolarHBondContact O-N 2.88Å; E97-F102 WeakPolarHBondContact O-CD2 3.27Å; E97-F102 PolarHBondContact O-N 3.28Å
98R98.8Very high98.4Very high44 Ų4445.8 Ų45.817%0.16625%0.246CC..Hα-helixtrans-64.4-44.8175.3-65.7-59.4-50.7147.14.6111.5N65 H95 S96 F102 G103 E104N65-R98 PolarHBondContact ND2-NE 3.06Å; N65-R98 VanDerWaalsContact ND2-NE 3.17Å; H95-R98 HydrophobicContact CB-CG 4.4Å; H95-R98 WeakPolarHBondContact O-CA 3.48Å; H95-R98 VanDerWaalsContact O-CB 3.27Å; H95-R98 WeakPolarHBondContact O-CB 3.33Å; H95-R98 PolarHBondContact O-N 2.66Å; S96-R98 VanDerWaalsContact C-N 3.34Å; S96-R98 PolarHBondContact O-N 2.92Å; R98-F102 VanDerWaalsContact NH1-CD1 3.33Å; R98-F102 CarbonylContact O-C 3.46Å; R98-F102 WeakPolarHBondContact O-CB 3.47Å; R98-F102 PolarHBondContact O-N 3.37Å; R98-G103 PolarHBondContact O-N 3.2Å; R98-G103 VanDerWaalsContact O-N 3.14Å; R98-E104 HydrophobicContact CB-CB 4.48Å; R98-E104 HydrophobicContact CB-CG 4.14Å; R98-E104 IonicContact CZ-OE1 3.99Å; R98-E104 VanDerWaalsContact NE-CD 3.27Å; R98-E104 IonicContact NE-OE1 3.97Å; R98-E104 PolarHBondContact NE-OE1 2.84Å; R98-E104 IonicContact NE-OE2 3.73Å; R98-E104 IonicContact NH2-OE1 2.7Å; R98-E104 PolarHBondContact NH2-OE1 3Å; R98-E104 PolarHBondContact O-N 3.25Å
99R98.6Very high98.4Very high24 Ų2445.9 Ų45.99%0.09125%0.246CC..Hα-helixtrans-64.3-48.8179.2-67.2175.7179.3-83.65.5112.1G94 H95 S96 G103 D106 I109 C126G94-R99 VanDerWaalsContact O-CD 3.3Å; G94-R99 WeakPolarHBondContact O-CD 3.3Å; G94-R99 PolarHBondContact O-NE 3.34Å; H95-R99 PolarHBondContact O-N 2.72Å; H95-R99 VanDerWaalsContact O-N 3.11Å; S96-R99 PolarHBondContact O-N 2.97Å; R99-G103 VanDerWaalsContact O-CA 3.3Å; R99-G103 WeakPolarHBondContact O-CA 3.4Å; R99-G103 PolarHBondContact O-N 3.4Å; R99-D106 IonicContact CZ-OD1 2.71Å; R99-D106 IonicContact NH1-OD1 3.73Å; R99-D106 PolarHBondContact NH1-OD1 3.41Å; R99-D106 IonicContact NH2-OD1 3.74Å; R99-I109 HydrophobicContact CG-CD1 3.74Å; R99-I109 VanDerWaalsContact CZ-CD1 3.4Å; R99-I109 VanDerWaalsContact NH1-CD1 3.33Å; R99-C126 PolarHBondContact NE-O 3.29Å; R99-C126 PolarHBondContact NH2-O 2.79Å
100H97Very high98.5Very high77 Ų7741.5 Ų41.536%0.35622%0.223SC..Hα-helixtrans-101.2-28-165.1-54.3-44.5000114.6S96 K130S96-H100 WeakPolarHBondContact O-CB 3.38Å; S96-H100 PolarHBondContact O-CD2 3.42Å; S96-H100 PolarHBondContact O-N 3.02Å; H100-K130 VanDerWaalsContact CE1-CE 3.46Å; H100-K130 WeakPolarHBondContact CE1-CE 3.46Å; H100-K130 WeakPolarHBondContact ND1-CE 3.47Å
101V98.1Very high98.5Very high110 Ų11043 Ų4367%0.66723%0.231SC*.THydrogen-bonded Turntrans-91.4-42.6176.2-175.50000110.5E97E97-V101 WeakPolarHBondContact O-CA 3.4Å; E97-V101 WeakPolarHBondContact O-CB 3.43Å; E97-V101 PolarHBondContact O-N 2.88Å
102F98.6Very high98.5Very high134 Ų13443.1 Ų43.159%0.58823%0.231SC*.SBendtrans-102-3.2-175.1-61.2-86.3000114.4E97 R98 E104E97-F102 WeakPolarHBondContact O-CD2 3.27Å; E97-F102 PolarHBondContact O-N 3.28Å; R98-F102 VanDerWaalsContact NH1-CD1 3.33Å; R98-F102 CarbonylContact O-C 3.46Å; R98-F102 WeakPolarHBondContact O-CB 3.47Å; R98-F102 PolarHBondContact O-N 3.37Å; F102-E104 PolarHBondContact O-N 2.99Å
103G98.4Very high98.5Very high60 Ų6043 Ų4362%0.61923%0.231SC*.  trans70.329.4172.400000114.7R98 R99 S105R98-G103 PolarHBondContact O-N 3.2Å; R98-G103 VanDerWaalsContact O-N 3.14Å; R99-G103 VanDerWaalsContact O-CA 3.3Å; R99-G103 WeakPolarHBondContact O-CA 3.4Å; R99-G103 PolarHBondContact O-N 3.4Å; G103-S105 PolarHBondContact O-N 3.15Å
104E98.8Very high98.5Very high10 Ų1043.9 Ų43.95%0.04724%0.238CC..  trans-66.8121172.4-65.3-163.1167.700110.9R98 F102 L108 I109 K112R98-E104 HydrophobicContact CB-CB 4.48Å; R98-E104 HydrophobicContact CB-CG 4.14Å; R98-E104 IonicContact CZ-OE1 3.99Å; R98-E104 VanDerWaalsContact NE-CD 3.27Å; R98-E104 IonicContact NE-OE1 3.97Å; R98-E104 PolarHBondContact NE-OE1 2.84Å; R98-E104 IonicContact NE-OE2 3.73Å; R98-E104 IonicContact NH2-OE1 2.7Å; R98-E104 PolarHBondContact NH2-OE1 3Å; R98-E104 PolarHBondContact O-N 3.25Å; F102-E104 PolarHBondContact O-N 2.99Å; E104-L108 HydrophobicContact CB-CD2 4.25Å; E104-L108 HydrophobicContact CG-CD2 4Å; E104-I109 HydrophobicContact CB-CD1 4.1Å; E104-I109 HydrophobicContact CB-CG1 4.12Å; E104-K112 IonicContact OE1-NZ 3.7Å; E104-K112 PolarHBondContact OE1-NZ 3.49Å; E104-K112 IonicContact OE2-NZ 3.44Å
105S98.7Very high98.5Very high64 Ų6445 Ų4545%0.44824%0.243SC..  trans-77160.3175.763.50000112G103 E107 L108 I109G103-S105 PolarHBondContact O-N 3.15Å; S105-E107 VanDerWaalsContact C-N 3.26Å; S105-E107 PolarHBondContact O-N 3.35Å; S105-L108 PolarHBondContact O-N 3.47Å; S105-L108 VanDerWaalsContact O-N 3.15Å; S105-L108 PolarHBondContact OG-N 3.28Å; S105-I109 WeakPolarHBondContact O-CD1 3.22Å; S105-I109 WeakPolarHBondContact O-CG1 3.22Å; S105-I109 PolarHBondContact O-N 3.25Å
106D98.4Very high98.5Very high58 Ų5844.6 Ų44.631%0.3124%0.241SC..Hα-helixtrans-55.2-42.8173-67.8-41.3000111.7R99 L108 I109 G110 V149R99-D106 IonicContact CZ-OD1 2.71Å; R99-D106 IonicContact NH1-OD1 3.73Å; R99-D106 PolarHBondContact NH1-OD1 3.41Å; R99-D106 IonicContact NH2-OD1 3.74Å; D106-L108 PolarHBondContact O-N 3.03Å; D106-I109 PolarHBondContact O-N 3.46Å; D106-G110 PolarHBondContact O-N 2.77Å; D106-V149 HydrophobicContact CB-CB 4.12Å; D106-V149 HydrophobicContact CB-CG1 3.97Å; D106-V149 HydrophobicContact CB-CG2 4.01Å; D106-V149 VanDerWaalsContact O-CG1 3.28Å; D106-V149 WeakPolarHBondContact O-CG1 3.18Å
107E98.5Very high98.5Very high133 Ų13344.7 Ų44.762%0.62124%0.241SC*.Hα-helixtrans-58.9-45.2177.1-171.5-166.6162.200112S105 I109 G110 Q111S105-E107 VanDerWaalsContact C-N 3.26Å; S105-E107 PolarHBondContact O-N 3.35Å; E107-I109 VanDerWaalsContact C-N 3.32Å; E107-I109 PolarHBondContact O-N 2.95Å; E107-G110 PolarHBondContact O-N 2.74Å; E107-Q111 VanDerWaalsContact O-CG 3.28Å; E107-Q111 WeakPolarHBondContact O-CG 3.45Å; E107-Q111 PolarHBondContact O-N 3.07Å; E107-Q111 PolarHBondContact OE1-NE2 2.8Å; E107-Q111 VanDerWaalsContact OE1-NE2 3.12Å
108L98.8Very high98.5Very high37 Ų3748.2 Ų48.219%0.19426%0.257CS..Hα-helixtrans-64.7-39.8177.9176.660.1000111.1K68 E104 S105 D106 Q111 K112K68-L108 HydrophobicContact CD-CD1 3.87Å; K68-L108 HydrophobicContact CG-CD1 4.4Å; E104-L108 HydrophobicContact CB-CD2 4.25Å; E104-L108 HydrophobicContact CG-CD2 4Å; S105-L108 PolarHBondContact O-N 3.47Å; S105-L108 VanDerWaalsContact O-N 3.15Å; S105-L108 PolarHBondContact OG-N 3.28Å; D106-L108 PolarHBondContact O-N 3.03Å; L108-Q111 PolarHBondContact O-N 3.18Å; L108-K112 HydrophobicContact CD1-CG 4.48Å; L108-K112 HydrophobicContact CG-CD 4.41Å; L108-K112 WeakPolarHBondContact O-CG 3.18Å; L108-K112 PolarHBondContact O-N 3.2Å
109I98.9Very high98.4Very high2 Ų247.4 Ų47.41%0.0126%0.258CS..Hα-helixtrans-66-45.1178.8-69.1160.8000110.2R99 E104 S105 D106 E107 Q111 K112 V113R99-I109 HydrophobicContact CG-CD1 3.74Å; R99-I109 VanDerWaalsContact CZ-CD1 3.4Å; R99-I109 VanDerWaalsContact NH1-CD1 3.33Å; E104-I109 HydrophobicContact CB-CD1 4.1Å; E104-I109 HydrophobicContact CB-CG1 4.12Å; S105-I109 WeakPolarHBondContact O-CD1 3.22Å; S105-I109 WeakPolarHBondContact O-CG1 3.22Å; S105-I109 PolarHBondContact O-N 3.25Å; D106-I109 PolarHBondContact O-N 3.46Å; E107-I109 VanDerWaalsContact C-N 3.32Å; E107-I109 PolarHBondContact O-N 2.95Å; I109-Q111 VanDerWaalsContact C-N 3.34Å; I109-Q111 PolarHBondContact O-N 2.98Å; I109-K112 WeakPolarHBondContact O-CB 3.49Å; I109-K112 PolarHBondContact O-N 2.71Å; I109-K112 VanDerWaalsContact O-N 3.1Å; I109-V113 HydrophobicContact CG2-CG2 4.37Å; I109-V113 WeakPolarHBondContact O-CG2 3.26Å; I109-V113 PolarHBondContact O-N 3.01Å
110G98.8Very high98.4Very high0 Ų050.5 Ų50.50%028%0.277CS..Hα-helixtrans-55.4-47.3173.400000112.2D106 E107 K112 V113 A114 N153D106-G110 PolarHBondContact O-N 2.77Å; E107-G110 PolarHBondContact O-N 2.74Å; G110-K112 VanDerWaalsContact C-N 3.3Å; G110-K112 PolarHBondContact O-N 2.85Å; G110-V113 PolarHBondContact O-N 2.93Å; G110-A114 PolarHBondContact O-N 2.91Å; G110-N153 VanDerWaalsContact O-CB 3.27Å; G110-N153 WeakPolarHBondContact O-CB 3.45Å; G110-N153 PolarHBondContact O-OD1 3.18Å
111Q98.8Very high98.4Very high57 Ų5746.8 Ų46.827%0.26626%0.26SS..Hα-helixtrans-60.4-36.9175.8-70.6166.6-0.100112.9K68 E107 L108 I109 H115K68-Q111 HydrophobicContact CB-CB 4.07Å; K68-Q111 HydrophobicContact CD-CB 3.91Å; E107-Q111 VanDerWaalsContact O-CG 3.28Å; E107-Q111 WeakPolarHBondContact O-CG 3.45Å; E107-Q111 PolarHBondContact O-N 3.07Å; E107-Q111 PolarHBondContact OE1-NE2 2.8Å; E107-Q111 VanDerWaalsContact OE1-NE2 3.12Å; L108-Q111 PolarHBondContact O-N 3.18Å; I109-Q111 VanDerWaalsContact C-N 3.34Å; I109-Q111 PolarHBondContact O-N 2.98Å; Q111-H115 WeakPolarHBondContact O-CB 3.42Å; Q111-H115 PolarHBondContact O-N 2.86Å
112K98.9Very high98.5Very high1 Ų141.9 Ų41.90%0.00423%0.231CC..Hα-helixtrans-70.3-41175.4-72.1175.9171.5-1510112N65 C66 K68 L93 E104 L108 I109 G110 H115 A116N65-K112 PolarHBondContact ND2-NZ 2.65Å; N65-K112 PolarHBondContact OD1-NZ 3.14Å; C66-K112 WeakPolarHBondContact O-CD 3.46Å; C66-K112 WeakPolarHBondContact O-CE 3.4Å; C66-K112 PolarHBondContact O-NZ 3.12Å; K68-K112 HydrophobicContact CB-CG 4.07Å; L93-K112 HydrophobicContact CD1-CB 3.8Å; L93-K112 HydrophobicContact CD2-CB 3.91Å; L93-K112 HydrophobicContact CD2-CD 3.99Å; L93-K112 HydrophobicContact CG-CB 4.46Å; E104-K112 IonicContact OE1-NZ 3.7Å; E104-K112 PolarHBondContact OE1-NZ 3.49Å; E104-K112 IonicContact OE2-NZ 3.44Å; L108-K112 HydrophobicContact CD1-CG 4.48Å; L108-K112 HydrophobicContact CG-CD 4.41Å; L108-K112 WeakPolarHBondContact O-CG 3.18Å; L108-K112 PolarHBondContact O-N 3.2Å; I109-K112 WeakPolarHBondContact O-CB 3.49Å; I109-K112 PolarHBondContact O-N 2.71Å; I109-K112 VanDerWaalsContact O-N 3.1Å; G110-K112 VanDerWaalsContact C-N 3.3Å; G110-K112 PolarHBondContact O-N 2.85Å; K112-H115 PolarHBondContact O-N 2.83Å; K112-A116 VanDerWaalsContact O-CB 3.31Å; K112-A116 WeakPolarHBondContact O-CB 3.37Å; K112-A116 PolarHBondContact O-N 2.75Å
113V98.8Very high98.5Very high0 Ų035.5 Ų35.50%020%0.203CC..Hα-helixtrans-59.1-52.3176.6169.80000109.8L93 I109 G110 H115 A116 L117 V123 I150 V154L93-V113 HydrophobicContact CB-CG2 4.44Å; L93-V113 HydrophobicContact CD1-CG2 4.04Å; I109-V113 HydrophobicContact CG2-CG2 4.37Å; I109-V113 WeakPolarHBondContact O-CG2 3.26Å; I109-V113 PolarHBondContact O-N 3.01Å; G110-V113 PolarHBondContact O-N 2.93Å; V113-H115 VanDerWaalsContact C-N 3.35Å; V113-H115 PolarHBondContact O-N 3.04Å; V113-A116 PolarHBondContact O-N 2.86Å; V113-L117 HydrophobicContact CG1-CD1 3.88Å; V113-L117 WeakPolarHBondContact O-CG 3.37Å; V113-L117 PolarHBondContact O-N 3.16Å; V113-V123 HydrophobicContact CG2-CG1 4.2Å; V113-I150 HydrophobicContact CG1-CG2 4.44Å; V113-V154 HydrophobicContact CG1-CG2 3.72Å
114A98.6Very high98.5Very high19 Ų1932.7 Ų32.716%0.15717%0.174CC..Hα-helixtrans-53.9-51.9177.100000111.2G110 A116 L117 E118 N153G110-A114 PolarHBondContact O-N 2.91Å; A114-A116 PolarHBondContact O-N 3.37Å; A114-L117 PolarHBondContact O-N 2.86Å; A114-E118 WeakPolarHBondContact O-CB 3.33Å; A114-E118 VanDerWaalsContact O-CG 3.3Å; A114-E118 WeakPolarHBondContact O-CG 3.24Å; A114-E118 PolarHBondContact O-N 2.93Å; A114-N153 WeakPolarHBondContact CA-O 3.42Å; A114-N153 HydrophobicContact CB-CB 4.11Å
115H98.7Very high98.5Very high25 Ų2532.2 Ų32.212%0.11617%0.171CC..Hα-helixtrans-68-34.2-175.6-168.849.6000114K68 V69 A70 Q111 K112 V113 E118 S119K68-H115 PolarHBondContact O-CD2 3.35Å; V69-H115 WeakPolarHBondContact CA-NE2 2.97Å; V69-H115 PolarHBondContact N-CD2 3.48Å; A70-H115 PolarHBondContact N-NE2 3.31Å; Q111-H115 WeakPolarHBondContact O-CB 3.42Å; Q111-H115 PolarHBondContact O-N 2.86Å; K112-H115 PolarHBondContact O-N 2.83Å; V113-H115 VanDerWaalsContact C-N 3.35Å; V113-H115 PolarHBondContact O-N 3.04Å; H115-E118 IonicContact ND1-OE2 3.62Å; H115-E118 PolarHBondContact ND1-OE2 2.87Å; H115-S119 VanDerWaalsContact O-CB 3.29Å; H115-S119 WeakPolarHBondContact O-CB 3.49Å; H115-S119 PolarHBondContact O-N 2.92Å; H115-S119 PolarHBondContact O-OG 3.25Å
116A98.7Very high98.5Very high0 Ų029.2 Ų29.20%015%0.15CC..Hα-helixtrans-64.8-44.9174.500000111.3P80 V91 L93 K112 V113 A114 S119 D120 L121 V123P80-A116 HydrophobicContact CG-CB 4.43Å; V91-A116 HydrophobicContact CG1-CB 3.8Å; L93-A116 HydrophobicContact CD1-CB 4.17Å; K112-A116 VanDerWaalsContact O-CB 3.31Å; K112-A116 WeakPolarHBondContact O-CB 3.37Å; K112-A116 PolarHBondContact O-N 2.75Å; V113-A116 PolarHBondContact O-N 2.86Å; A114-A116 PolarHBondContact O-N 3.37Å; A116-S119 CarbonylContact O-C 3.56Å; A116-S119 WeakPolarHBondContact O-CA 3.41Å; A116-S119 PolarHBondContact O-N 2.83Å; A116-D120 PolarHBondContact O-N 3.33Å; A116-L121 HydrophobicContact CB-CB 4.46Å; A116-L121 WeakPolarHBondContact O-CB 3.19Å; A116-L121 PolarHBondContact O-N 2.98Å; A116-V123 HydrophobicContact CB-CG2 3.7Å
117L98.4Very high98.5Very high14 Ų1426.6 Ų26.67%0.07314%0.137CC..Hα-helixtrans-66.4-42.7177.3-67.2173.1000112.3V113 A114 S119 D120 V123 V154 K159 V160V113-L117 HydrophobicContact CG1-CD1 3.88Å; V113-L117 WeakPolarHBondContact O-CG 3.37Å; V113-L117 PolarHBondContact O-N 3.16Å; A114-L117 PolarHBondContact O-N 2.86Å; L117-S119 PolarHBondContact O-N 2.86Å; L117-D120 WeakPolarHBondContact O-CA 3.47Å; L117-D120 PolarHBondContact O-N 3.29Å; L117-V123 HydrophobicContact CD2-CB 4.45Å; L117-V123 HydrophobicContact CD2-CG2 3.87Å; L117-V123 HydrophobicContact CG-CG2 3.96Å; L117-V154 HydrophobicContact CD1-CB 4.22Å; L117-V154 HydrophobicContact CD1-CG1 4.02Å; L117-V154 HydrophobicContact CD1-CG2 3.99Å; L117-K159 HydrophobicContact CD2-CB 3.8Å; L117-V160 HydrophobicContact CD1-CG2 4.11Å; L117-V160 HydrophobicContact CD2-CG2 4.04Å
118E97.6Very high98.5Very high144 Ų14420.4 Ų20.467%0.67311%0.108SC*.Hα-helixtrans-58-32172.2-75.5172.917500112.3A114 H115 D120A114-E118 WeakPolarHBondContact O-CB 3.33Å; A114-E118 VanDerWaalsContact O-CG 3.3Å; A114-E118 WeakPolarHBondContact O-CG 3.24Å; A114-E118 PolarHBondContact O-N 2.93Å; H115-E118 IonicContact ND1-OE2 3.62Å; H115-E118 PolarHBondContact ND1-OE2 2.87Å; E118-D120 PolarHBondContact O-N 3.37Å
119S97.1Very high98.5Very high26 Ų2618.7 Ų18.718%0.18210%0.099CC..THydrogen-bonded Turntrans-86.89.6176.5-56.90000112.7P80 K84 H115 A116 L117 L121P80-S119 WeakPolarHBondContact CB-OG 3.32Å; K84-S119 WeakPolarHBondContact CD-O 3.49Å; H115-S119 VanDerWaalsContact O-CB 3.29Å; H115-S119 WeakPolarHBondContact O-CB 3.49Å; H115-S119 PolarHBondContact O-N 2.92Å; H115-S119 PolarHBondContact O-OG 3.25Å; A116-S119 CarbonylContact O-C 3.56Å; A116-S119 WeakPolarHBondContact O-CA 3.41Å; A116-S119 PolarHBondContact O-N 2.83Å; L117-S119 PolarHBondContact O-N 2.86Å; S119-L121 VanDerWaalsContact C-N 3.28Å; S119-L121 PolarHBondContact O-N 3.01Å
120D97.1Very high98.3Very high89 Ų8922.2 Ų22.248%0.47611%0.114SC..THydrogen-bonded Turntrans70.716.6172.3-174.563.6000114.7K84 A116 L117 E118 K159K84-D120 IonicContact NZ-OD2 3.3Å; K84-D120 PolarHBondContact NZ-OD2 3.4Å; A116-D120 PolarHBondContact O-N 3.33Å; L117-D120 WeakPolarHBondContact O-CA 3.47Å; L117-D120 PolarHBondContact O-N 3.29Å; E118-D120 PolarHBondContact O-N 3.37Å; D120-K159 VanDerWaalsContact CG-NZ 3.28Å; D120-K159 PolarHBondContact O-NZ 3.07Å; D120-K159 IonicContact OD1-NZ 2.65Å; D120-K159 PolarHBondContact OD1-NZ 2.88Å; D120-K159 IonicContact OD2-NZ 3.65Å
121L98.4Very high98.1Very high0 Ų025 Ų250%013%0.129CC..  trans-80.3148.6169.7-66.8179.6000111.8P80 I83 K84 A88 V91 A116 S119P80-L121 HydrophobicContact CB-CD1 3.7Å; P80-L121 HydrophobicContact CB-CG 4.43Å; P80-L121 HydrophobicContact CG-CD1 4.44Å; I83-L121 HydrophobicContact CB-CD1 4.15Å; I83-L121 HydrophobicContact CD1-CD1 4.21Å; I83-L121 HydrophobicContact CG2-CD1 3.99Å; I83-L121 HydrophobicContact CG2-CD2 3.97Å; K84-L121 HydrophobicContact CD-CD2 4.14Å; K84-L121 HydrophobicContact CD-CG 4.48Å; K84-L121 HydrophobicContact CG-CD2 3.45Å; K84-L121 VanDerWaalsContact CG-CD2 3.45Å; K84-L121 HydrophobicContact CG-CG 4.12Å; A88-L121 WeakPolarHBondContact O-CD2 3.31Å; V91-L121 HydrophobicContact CB-CD1 4.38Å; V91-L121 HydrophobicContact CG1-CD1 4.1Å; A116-L121 HydrophobicContact CB-CB 4.46Å; A116-L121 WeakPolarHBondContact O-CB 3.19Å; A116-L121 PolarHBondContact O-N 2.98Å; S119-L121 VanDerWaalsContact C-N 3.28Å; S119-L121 PolarHBondContact O-N 3.01Å
122G98.7Very high97.9Very high6 Ų628.2 Ų28.26%0.06214%0.144CC..EExtended strand (participates in β ladder)trans-72.8146.2159.300000111.4D89 W90 V91 K159D89-G122 PolarHBondContact O-N 3.17Å; W90-G122 CarbonylContact C-O 3.4Å; W90-G122 WeakPolarHBondContact CA-O 3.39Å; V91-G122 PolarHBondContact N-O 3.11Å; G122-K159 CarbonylContact C-O 3.42Å; G122-K159 VanDerWaalsContact CA-O 3.26Å; G122-K159 WeakPolarHBondContact CA-O 3.48Å
123V98.9Very high97.8Very high0 Ų030.6 Ų30.60%016%0.155CC..EExtended strand (participates in β ladder)trans-122.1125.2-178.3179.50000110.7V91 L93 V113 A116 L117 A125 K159 V160 V161V91-V123 HydrophobicContact CG1-CG2 4.2Å; V91-V123 WeakPolarHBondContact O-CA 3.33Å; L93-V123 HydrophobicContact CB-CG1 4.31Å; L93-V123 HydrophobicContact CD1-CG1 3.99Å; L93-V123 HydrophobicContact CD1-CG2 4.49Å; L93-V123 HydrophobicContact CG-CG1 4.41Å; V113-V123 HydrophobicContact CG2-CG1 4.2Å; A116-V123 HydrophobicContact CB-CG2 3.7Å; L117-V123 HydrophobicContact CD2-CB 4.45Å; L117-V123 HydrophobicContact CD2-CG2 3.87Å; L117-V123 HydrophobicContact CG-CG2 3.96Å; V123-A125 HydrophobicContact CG1-CB 4.14Å; V123-K159 PolarHBondContact N-O 2.85Å; V123-V160 WeakPolarHBondContact O-CA 3.36Å; V123-V161 PolarHBondContact O-N 3.11Å
124I98.9Very high97.5Very high1 Ų133 Ų331%0.00517%0.165CC..EExtended strand (participates in β ladder)trans-95.398.7164.2-54.6167.8000106.4F7 V40 W90 V91 I92 L93 V161 A163 I207 L230F7-I124 HydrophobicContact CE1-CD1 3.94Å; F7-I124 HydrophobicContact CE1-CG1 4.26Å; F7-I124 HydrophobicContact CZ-CD1 3.79Å; F7-I124 HydrophobicContact CZ-CG1 4.04Å; V40-I124 HydrophobicContact CG1-CD1 4.44Å; W90-I124 HydrophobicContact CE3-CD1 4.49Å; W90-I124 HydrophobicContact CE3-CG1 3.85Å; W90-I124 HydrophobicContact CZ3-CG1 4.21Å; V91-I124 PolarHBondContact O-N 3.49Å; I92-I124 WeakPolarHBondContact CA-O 3.47Å; I92-I124 HydrophobicContact CG1-CB 4.11Å; I92-I124 HydrophobicContact CG1-CD1 3.98Å; I92-I124 HydrophobicContact CG1-CG2 4.49Å; L93-I124 PolarHBondContact N-O 2.83Å; I124-V161 CarbonylContact C-O 3.55Å; I124-V161 WeakPolarHBondContact CA-O 3.34Å; I124-V161 HydrophobicContact CG1-CB 4.46Å; I124-A163 HydrophobicContact CG2-CB 3.98Å; I124-I207 HydrophobicContact CG2-CD1 4.22Å; I124-L230 HydrophobicContact CG2-CD2 4.13Å
125A98.9Very high97.2Very high0 Ų039.1 Ų39.10%019%0.19CC..EExtended strand (participates in β ladder)trans-92.1118.7-176.800000110.1V123 I150 V161 L162 A163V123-A125 HydrophobicContact CG1-CB 4.14Å; A125-I150 HydrophobicContact CB-CD1 3.95Å; A125-I150 HydrophobicContact CB-CG2 4.15Å; A125-V161 PolarHBondContact N-O 3.04Å; A125-L162 HydrophobicContact CB-CD1 4.4Å; A125-A163 PolarHBondContact O-N 3.49Å
126C98.9Very high97.2Very high1 Ų141.3 Ų41.31%0.00721%0.212CC..EExtended strand (participates in β ladder)trans-95.5139.6-176.9-54.70000112.5L93 G94 R99 A163 E165L93-C126 PolarHBondContact O-N 2.97Å; G94-C126 WeakPolarHBondContact O-CB 3.15Å; R99-C126 PolarHBondContact NE-O 3.29Å; R99-C126 PolarHBondContact NH2-O 2.79Å; C126-A163 WeakPolarHBondContact CA-O 3.49Å; C126-A163 HydrophobicContact CB-CB 4.46Å; C126-E165 WeakPolarHBondContact CB-OE2 3.45Å; C126-E165 PolarHBondContact SG-OE2 3.46Å
127I98.8Very high97.1Very high4 Ų444.5 Ų44.52%0.02125%0.245CC..EExtended strand (participates in β ladder)trans-137.7161.2173.963.9173.9000109.7V143 Q146 T147 I150 L162 A163 E165 L188I127-V143 HydrophobicContact CD1-CB 4.14Å; I127-Q146 HydrophobicContact CB-CB 4.16Å; I127-Q146 VanDerWaalsContact CB-OE1 3.26Å; I127-Q146 HydrophobicContact CG2-CB 3.73Å; I127-T147 WeakPolarHBondContact CD1-OG1 3.46Å; I127-I150 HydrophobicContact CG2-CD1 3.57Å; I127-L162 HydrophobicContact CD1-CD1 4.06Å; I127-L162 HydrophobicContact CD1-CD2 3.76Å; I127-L162 HydrophobicContact CD1-CG 4.04Å; I127-L162 HydrophobicContact CG1-CD1 4.27Å; I127-L162 HydrophobicContact CG1-CG 4.35Å; I127-L162 HydrophobicContact CG2-CD1 4.11Å; I127-A163 PolarHBondContact N-O 3.27Å; I127-E165 PolarHBondContact O-N 3.35Å; I127-L188 HydrophobicContact CD1-CD1 3.85Å; I127-L188 HydrophobicContact CD1-CD2 3.69Å; I127-L188 HydrophobicContact CD1-CG 4.45Å
128G98.3Very high97Very high3 Ų345.8 Ų45.83%0.03125%0.254CS..  trans162.1155.4176.200000113Q146G128-Q146 PolarHBondContact O-NE2 2.89Å; G128-Q146 PolarHBondContact O-OE1 3.5Å
129E97.9Very high97Very high0 Ų039.7 Ų39.70%023%0.226CC..  trans-96.1154.5178.885.6-67.6177.400112.4E133 R134 T139 V142 Y164 V167 W168E129-E133 VanDerWaalsContact CA-OE2 3.27Å; E129-E133 WeakPolarHBondContact CA-OE2 3.35Å; E129-E133 HydrophobicContact CB-CB 4.01Å; E129-E133 HydrophobicContact CG-CB 4.41Å; E129-R134 HydrophobicContact CG-CB 4.04Å; E129-R134 WeakPolarHBondContact OE1-CD 3.33Å; E129-R134 IonicContact OE1-NH1 2.66Å; E129-T139 HydrophobicContact CG-CG2 4.01Å; E129-V142 HydrophobicContact CB-CB 4.23Å; E129-V142 HydrophobicContact CB-CG1 4.13Å; E129-Y164 PolarHBondContact OE1-OH 3.4Å; E129-Y164 VanDerWaalsContact OE2-CE2 3.32Å; E129-Y164 WeakPolarHBondContact OE2-CE2 3.37Å; E129-Y164 PolarHBondContact OE2-OH 2.74Å; E129-V167 WeakPolarHBondContact O-CB 3.21Å; E129-V167 WeakPolarHBondContact O-CG2 3.49Å; E129-V167 PolarHBondContact O-N 3.24Å; E129-W168 PolarHBondContact OE1-NE1 2.76Å
130K96.2Very high97.1Very high76 Ų7642.3 Ų42.333%0.3324%0.235SC..  trans-78.4167.5170.2-61.8177.7-176.1168.60111.9H100 E132 E133 R134H100-K130 VanDerWaalsContact CE1-CE 3.46Å; H100-K130 WeakPolarHBondContact CE1-CE 3.46Å; H100-K130 WeakPolarHBondContact ND1-CE 3.47Å; K130-E132 VanDerWaalsContact C-N 3.28Å; K130-E132 WeakPolarHBondContact CB-OE2 3.48Å; K130-E132 PolarHBondContact O-N 3.44Å; K130-E133 HydrophobicContact CB-CG 4.3Å; K130-E133 PolarHBondContact N-OE2 2.89Å; K130-E133 PolarHBondContact O-N 3.37Å; K130-R134 PolarHBondContact O-N 2.86Å
131L92.9Very high97.1Very high59 Ų5944.9 Ų44.931%0.30925%0.245SC..Hα-helixtrans-59-43.1178.5-175.456.7000111.4E133 R134 E135 W168L131-E133 VanDerWaalsContact C-N 3.29Å; L131-E133 PolarHBondContact O-N 2.93Å; L131-R134 WeakPolarHBondContact O-CB 3.42Å; L131-R134 PolarHBondContact O-N 3.36Å; L131-E135 HydrophobicContact CD1-CG 4.24Å; L131-E135 HydrophobicContact CG-CG 4.41Å; L131-E135 WeakPolarHBondContact O-CB 3.42Å; L131-E135 WeakPolarHBondContact O-CG 3.5Å; L131-E135 PolarHBondContact O-N 2.9Å; L131-W168 HydrophobicContact CB-CB 3.76Å; L131-W168 HydrophobicContact CB-CG 4.45Å; L131-W168 HydrophobicContact CD1-CB 3.98Å; L131-W168 HydrophobicContact CD1-CG 4.13Å; L131-W168 HydrophobicContact CG-CB 4.38Å
132E94.8Very high97.1Very high124 Ų12446 Ų4658%0.57925%0.251SS*.Hα-helixtrans-67.3-33.1-177.2-56.178.8-171.100111.7K130 A136K130-E132 VanDerWaalsContact C-N 3.28Å; K130-E132 WeakPolarHBondContact CB-OE2 3.48Å; K130-E132 PolarHBondContact O-N 3.44Å; E132-A136 VanDerWaalsContact O-CB 3.22Å; E132-A136 WeakPolarHBondContact O-CB 3.27Å; E132-A136 PolarHBondContact O-N 3.45Å
133E96.8Very high97.1Very high51 Ų5145.8 Ų45.824%0.23825%0.249CC..Hα-helixtrans-71.5-41.1176.6-67.4160.1-175.600110.7E129 K130 L131 A136 G137 T138 V142E129-E133 VanDerWaalsContact CA-OE2 3.27Å; E129-E133 WeakPolarHBondContact CA-OE2 3.35Å; E129-E133 HydrophobicContact CB-CB 4.01Å; E129-E133 HydrophobicContact CG-CB 4.41Å; K130-E133 HydrophobicContact CB-CG 4.3Å; K130-E133 PolarHBondContact N-OE2 2.89Å; K130-E133 PolarHBondContact O-N 3.37Å; L131-E133 VanDerWaalsContact C-N 3.29Å; L131-E133 PolarHBondContact O-N 2.93Å; E133-A136 PolarHBondContact O-N 3.27Å; E133-G137 PolarHBondContact O-N 3.16Å; E133-T138 WeakPolarHBondContact CA-OG1 3.4Å; E133-T138 PolarHBondContact O-N 2.92Å; E133-T138 PolarHBondContact O-OG1 3.39Å; E133-V142 HydrophobicContact CB-CG2 4.15Å; E133-V142 HydrophobicContact CG-CG2 4.05Å
134R93.9Very high97.1Very high52 Ų5248.3 Ų48.320%0.19626%0.259CS..Hα-helixtrans-59.5-50.4170.7-179102.8-171.3-167.46.8111.5E129 K130 L131 A136 G137E129-R134 HydrophobicContact CG-CB 4.04Å; E129-R134 WeakPolarHBondContact OE1-CD 3.33Å; E129-R134 IonicContact OE1-NH1 2.66Å; K130-R134 PolarHBondContact O-N 2.86Å; L131-R134 WeakPolarHBondContact O-CB 3.42Å; L131-R134 PolarHBondContact O-N 3.36Å; R134-A136 PolarHBondContact O-N 3.41Å; R134-G137 PolarHBondContact O-N 3.34Å
135E92.2Very high97.1Very high147 Ų14750.6 Ų50.669%0.68728%0.278SS*.Hα-helixtrans-65.3-27.6-178.9-72.1177.7168.300112.4L131 G137L131-E135 HydrophobicContact CD1-CG 4.24Å; L131-E135 HydrophobicContact CG-CG 4.41Å; L131-E135 WeakPolarHBondContact O-CB 3.42Å; L131-E135 WeakPolarHBondContact O-CG 3.5Å; L131-E135 PolarHBondContact O-N 2.9Å; E135-G137 VanDerWaalsContact C-N 3.3Å
136A97.1Very high97.1Very high71 Ų7151.4 Ų51.459%0.58728%0.281SS*.THydrogen-bonded Turntrans-80.1-6.9172.500000114.1E132 E133 R134 T138E132-A136 VanDerWaalsContact O-CB 3.22Å; E132-A136 WeakPolarHBondContact O-CB 3.27Å; E132-A136 PolarHBondContact O-N 3.45Å; E133-A136 PolarHBondContact O-N 3.27Å; R134-A136 PolarHBondContact O-N 3.41Å; A136-T138 VanDerWaalsContact C-N 3.34Å; A136-T138 HydrophobicContact CB-CG2 4.21Å
137G96.7Very high97.1Very high67 Ų6751.3 Ų51.369%0.69128%0.281SS*.THydrogen-bonded Turntrans73.821.9-177.100000114.1E133 R134 E135E133-G137 PolarHBondContact O-N 3.16Å; R134-G137 PolarHBondContact O-N 3.34Å; E135-G137 VanDerWaalsContact C-N 3.3Å
138T97.8Very high97.1Very high41 Ų4155.7 Ų55.725%0.25230%0.301SS..  trans-102.713.4-176.360.90000113.7E133 A136 E140 E141 V142E133-T138 WeakPolarHBondContact CA-OG1 3.4Å; E133-T138 PolarHBondContact O-N 2.92Å; E133-T138 PolarHBondContact O-OG1 3.39Å; A136-T138 VanDerWaalsContact C-N 3.34Å; A136-T138 HydrophobicContact CB-CG2 4.21Å; T138-E140 VanDerWaalsContact C-N 3.31Å; T138-E140 PolarHBondContact O-N 3.24Å; T138-E141 PolarHBondContact O-N 3.18Å; T138-E141 VanDerWaalsContact O-N 3.14Å; T138-V142 WeakPolarHBondContact O-CG2 3.43Å; T138-V142 PolarHBondContact O-N 3.44Å; T138-V142 VanDerWaalsContact O-N 3.08Å
139T97.7Very high97.1Very high16 Ų1657 Ų5710%0.09831%0.309CS..Hα-helixtrans-48.2-50.5178.7-60.20000112.4E129 E141 V142 V143 V184E129-T139 HydrophobicContact CG-CG2 4.01Å; T139-E141 PolarHBondContact O-N 3.21Å; T139-V142 PolarHBondContact O-N 3.27Å; T139-V143 HydrophobicContact CG2-CG1 4.43Å; T139-V143 WeakPolarHBondContact O-CG1 3.5Å; T139-V143 WeakPolarHBondContact O-CG2 3.32Å; T139-V143 PolarHBondContact O-N 2.89Å; T139-V184 HydrophobicContact CG2-CG2 4.03Å
140E97.8Very high97.1Very high80 Ų8057.1 Ų57.137%0.37431%0.31SS..Hα-helixtrans-60.9-45.7-179.2-72.9-174.7-134.300112.8T138 V142 V143 Y144 K187T138-E140 VanDerWaalsContact C-N 3.31Å; T138-E140 PolarHBondContact O-N 3.24Å; E140-V142 VanDerWaalsContact C-N 3.3Å; E140-V142 PolarHBondContact O-N 2.7Å; E140-V143 PolarHBondContact O-N 3.15Å; E140-Y144 HydrophobicContact CB-CD2 4.32Å; E140-Y144 HydrophobicContact CB-CE2 3.96Å; E140-Y144 HydrophobicContact CG-CE2 4.41Å; E140-Y144 WeakPolarHBondContact O-CB 3.35Å; E140-Y144 WeakPolarHBondContact O-CD2 3.42Å; E140-Y144 PolarHBondContact O-N 3.3Å; E140-Y144 PolarHBondContact OE2-OH 2.91Å; E140-K187 HydrophobicContact CG-CD 3.83Å; E140-K187 WeakPolarHBondContact OE1-CD 3.41Å; E140-K187 WeakPolarHBondContact OE1-CE 3.43Å; E140-K187 IonicContact OE1-NZ 3.95Å; E140-K187 PolarHBondContact OE1-NZ 3.23Å
141E98.3Very high97.2Very high143 Ų14354.4 Ų54.467%0.66830%0.301SS*.Hα-helixtrans-58-46.3179-176.6-177.7167.600110.7T138 T139 A145T138-E141 PolarHBondContact O-N 3.18Å; T138-E141 VanDerWaalsContact O-N 3.14Å; T139-E141 PolarHBondContact O-N 3.21Å; E141-A145 VanDerWaalsContact O-CB 3.3Å; E141-A145 WeakPolarHBondContact O-CB 3.18Å; E141-A145 PolarHBondContact O-N 3.15Å
142V98.4Very high97.4Very high24 Ų2457.7 Ų57.715%0.14532%0.315CS..Hα-helixtrans-65.6-52.3-179.21760000111.2E129 E133 T138 T139 E140 Y144 A145 Q146E129-V142 HydrophobicContact CB-CB 4.23Å; E129-V142 HydrophobicContact CB-CG1 4.13Å; E133-V142 HydrophobicContact CB-CG2 4.15Å; E133-V142 HydrophobicContact CG-CG2 4.05Å; T138-V142 WeakPolarHBondContact O-CG2 3.43Å; T138-V142 PolarHBondContact O-N 3.44Å; T138-V142 VanDerWaalsContact O-N 3.08Å; T139-V142 PolarHBondContact O-N 3.27Å; E140-V142 VanDerWaalsContact C-N 3.3Å; E140-V142 PolarHBondContact O-N 2.7Å; V142-Y144 PolarHBondContact O-N 2.76Å; V142-A145 PolarHBondContact O-N 3.34Å; V142-Q146 WeakPolarHBondContact O-CG 3.07Å; V142-Q146 PolarHBondContact O-N 2.85Å; V142-Q146 VanDerWaalsContact O-N 3.09Å
143V98.6Very high97.6Very high1 Ų154.1 Ų54.11%0.00630%0.3CS..Hα-helixtrans-69.7-33.8-175.4-59.10000111.8I127 T139 E140 T147 Y164 V184 L188I127-V143 HydrophobicContact CD1-CB 4.14Å; T139-V143 HydrophobicContact CG2-CG1 4.43Å; T139-V143 WeakPolarHBondContact O-CG1 3.5Å; T139-V143 WeakPolarHBondContact O-CG2 3.32Å; T139-V143 PolarHBondContact O-N 2.89Å; E140-V143 PolarHBondContact O-N 3.15Å; V143-T147 VanDerWaalsContact O-CB 3.23Å; V143-T147 WeakPolarHBondContact O-CB 3.44Å; V143-T147 PolarHBondContact O-N 3.12Å; V143-T147 PolarHBondContact O-OG1 2.95Å; V143-Y164 HydrophobicContact CG1-CD2 4.32Å; V143-Y164 HydrophobicContact CG1-CE2 4.17Å; V143-V184 HydrophobicContact CG2-CG1 4.46Å; V143-L188 HydrophobicContact CB-CD2 4.32Å; V143-L188 HydrophobicContact CG2-CD2 4.05Å
144Y98.8Very high97.7Very high54 Ų5452.5 Ų52.521%0.21229%0.294CS..Hα-helixtrans-69.3-41.3175.1-66.8-16.1000112.1E140 V142 Q146 T147 Q148 K187 L188 W191E140-Y144 HydrophobicContact CB-CD2 4.32Å; E140-Y144 HydrophobicContact CB-CE2 3.96Å; E140-Y144 HydrophobicContact CG-CE2 4.41Å; E140-Y144 WeakPolarHBondContact O-CB 3.35Å; E140-Y144 WeakPolarHBondContact O-CD2 3.42Å; E140-Y144 PolarHBondContact O-N 3.3Å; E140-Y144 PolarHBondContact OE2-OH 2.91Å; V142-Y144 PolarHBondContact O-N 2.76Å; Y144-Q146 PolarHBondContact O-N 3.4Å; Y144-T147 PolarHBondContact O-N 3.16Å; Y144-Q148 VanDerWaalsContact O-CB 3.31Å; Y144-Q148 WeakPolarHBondContact O-CB 3.43Å; Y144-Q148 PolarHBondContact O-N 3.34Å; Y144-K187 WeakPolarHBondContact OH-CB 3.07Å; Y144-L188 HydrophobicContact CD1-CD2 4.31Å; Y144-L188 HydrophobicContact CE1-CD2 4.44Å; Y144-W191 HydrophobicContact CD1-CB 4.02Å; Y144-W191 AromaticContact CD1-CD1 3.44Å; Y144-W191 VanDerWaalsContact CD1-CD1 3.44Å; Y144-W191 AromaticContact CD1-CG 3.8Å; Y144-W191 HydrophobicContact CD1-CG 3.8Å; Y144-W191 AromaticContact CD2-CD1 3.89Å; Y144-W191 HydrophobicContact CE1-CB 3.74Å; Y144-W191 AromaticContact CE1-CD1 3.85Å; Y144-W191 HydrophobicContact CE1-CG 4.02Å; Y144-W191 AromaticContact CG-CD1 3.47Å; Y144-W191 VanDerWaalsContact CG-CD1 3.47Å; Y144-W191 HydrophobicContact CG-CG 4.27Å; Y144-W191 AromaticContact CG-NE1 3.92Å
145A98.6Very high97.3Very high49 Ų4956 Ų5641%0.40532%0.321SS..Hα-helixtrans-60.9-45.7176.300000111.5E141 V142 Q148 V149E141-A145 VanDerWaalsContact O-CB 3.3Å; E141-A145 WeakPolarHBondContact O-CB 3.18Å; E141-A145 PolarHBondContact O-N 3.15Å; V142-A145 PolarHBondContact O-N 3.34Å; A145-Q148 PolarHBondContact O-N 3.45Å; A145-V149 PolarHBondContact O-N 3.21Å
146Q98.8Very high97.3Very high16 Ų1652.8 Ų52.88%0.07531%0.308CS..Hα-helixtrans-64.3-42.6176.5-67173.62.200111.9I127 G128 V142 Y144 V149 I150I127-Q146 HydrophobicContact CB-CB 4.16Å; I127-Q146 VanDerWaalsContact CB-OE1 3.26Å; I127-Q146 HydrophobicContact CG2-CB 3.73Å; G128-Q146 PolarHBondContact O-NE2 2.89Å; G128-Q146 PolarHBondContact O-OE1 3.5Å; V142-Q146 WeakPolarHBondContact O-CG 3.07Å; V142-Q146 PolarHBondContact O-N 2.85Å; V142-Q146 VanDerWaalsContact O-N 3.09Å; Y144-Q146 PolarHBondContact O-N 3.4Å; Q146-V149 PolarHBondContact O-N 3.5Å; Q146-I150 WeakPolarHBondContact O-CG1 3.45Å; Q146-I150 PolarHBondContact O-N 3.07Å
147T98.8Very high97.3Very high0 Ų050.6 Ų50.60%029%0.285CS..Hα-helixtrans-64.3-40.1178.5-57.90000111.5I127 V143 Y144 V149 I150 A151 L188 W191 F192I127-T147 WeakPolarHBondContact CD1-OG1 3.46Å; V143-T147 VanDerWaalsContact O-CB 3.23Å; V143-T147 WeakPolarHBondContact O-CB 3.44Å; V143-T147 PolarHBondContact O-N 3.12Å; V143-T147 PolarHBondContact O-OG1 2.95Å; Y144-T147 PolarHBondContact O-N 3.16Å; T147-V149 PolarHBondContact O-N 2.89Å; T147-I150 PolarHBondContact O-N 2.88Å; T147-A151 WeakPolarHBondContact O-CB 3.36Å; T147-A151 PolarHBondContact O-N 3.44Å; T147-L188 WeakPolarHBondContact OG1-CD2 3.26Å; T147-W191 HydrophobicContact CG2-CD2 4.25Å; T147-W191 HydrophobicContact CG2-CE3 3.6Å; T147-W191 HydrophobicContact CG2-CH2 4.06Å; T147-W191 HydrophobicContact CG2-CZ3 3.51Å; T147-F192 HydrophobicContact CG2-CE1 3.98Å; T147-F192 HydrophobicContact CG2-CE2 3.95Å; T147-F192 HydrophobicContact CG2-CZ 3.39Å
148Q98.6Very high97.3Very high95 Ų9550.1 Ų50.144%0.44428%0.28SS..Hα-helixtrans-59.5-48.8178.9-176.6-179.9-29.800111.5Y144 A145 I150 A151 E152 W191Y144-Q148 VanDerWaalsContact O-CB 3.31Å; Y144-Q148 WeakPolarHBondContact O-CB 3.43Å; Y144-Q148 PolarHBondContact O-N 3.34Å; A145-Q148 PolarHBondContact O-N 3.45Å; Q148-I150 VanDerWaalsContact C-N 3.29Å; Q148-I150 PolarHBondContact O-N 3.1Å; Q148-A151 PolarHBondContact O-N 3.28Å; Q148-A151 VanDerWaalsContact O-N 3.09Å; Q148-E152 HydrophobicContact CG-CG 4.5Å; Q148-E152 WeakPolarHBondContact CG-OE1 3.44Å; Q148-E152 PolarHBondContact NE2-OE1 3.04Å; Q148-E152 WeakPolarHBondContact O-CG 3.48Å; Q148-E152 PolarHBondContact O-N 3.31Å; Q148-W191 HydrophobicContact CB-CH2 4.29Å; Q148-W191 HydrophobicContact CB-CZ2 3.8Å; Q148-W191 HydrophobicContact CG-CZ2 4.27Å
149V97.9Very high97.3Very high32 Ų3251.1 Ų51.119%0.19428%0.281CS..Hα-helixtrans-63.9-36.8-179.41780000111.6D106 A145 Q146 T147 N153D106-V149 HydrophobicContact CB-CB 4.12Å; D106-V149 HydrophobicContact CB-CG1 3.97Å; D106-V149 HydrophobicContact CB-CG2 4.01Å; D106-V149 VanDerWaalsContact O-CG1 3.28Å; D106-V149 WeakPolarHBondContact O-CG1 3.18Å; A145-V149 PolarHBondContact O-N 3.21Å; Q146-V149 PolarHBondContact O-N 3.5Å; T147-V149 PolarHBondContact O-N 2.89Å; V149-N153 PolarHBondContact O-ND2 3.37Å
150I98.4Very high97.3Very high2 Ų250.3 Ų50.31%0.0128%0.276CS..Hα-helixtrans-62-50.9171.7-68.7160.2000109.6V113 A125 I127 Q146 T147 Q148 E152 N153 V154 W157 L162V113-I150 HydrophobicContact CG1-CG2 4.44Å; A125-I150 HydrophobicContact CB-CD1 3.95Å; A125-I150 HydrophobicContact CB-CG2 4.15Å; I127-I150 HydrophobicContact CG2-CD1 3.57Å; Q146-I150 WeakPolarHBondContact O-CG1 3.45Å; Q146-I150 PolarHBondContact O-N 3.07Å; T147-I150 PolarHBondContact O-N 2.88Å; Q148-I150 VanDerWaalsContact C-N 3.29Å; Q148-I150 PolarHBondContact O-N 3.1Å; I150-E152 VanDerWaalsContact C-N 3.31Å; I150-E152 PolarHBondContact O-N 3.25Å; I150-N153 CarbonylContact O-C 3.57Å; I150-N153 WeakPolarHBondContact O-CA 3.47Å; I150-N153 PolarHBondContact O-N 3.33Å; I150-V154 HydrophobicContact CG2-CG2 3.96Å; I150-V154 WeakPolarHBondContact O-CG2 3.08Å; I150-V154 PolarHBondContact O-N 3.05Å; I150-W157 HydrophobicContact CG2-CH2 4.45Å; I150-L162 HydrophobicContact CD1-CD1 4.38Å
151A98.4Very high97.4Very high19 Ų1946.5 Ų46.516%0.15726%0.258CS..Hα-helixtrans-60.8-36.6-175.900000113.5T147 Q148 N153 V154 W157 W191 V196T147-A151 WeakPolarHBondContact O-CB 3.36Å; T147-A151 PolarHBondContact O-N 3.44Å; Q148-A151 PolarHBondContact O-N 3.28Å; Q148-A151 VanDerWaalsContact O-N 3.09Å; A151-N153 PolarHBondContact O-N 3.41Å; A151-N153 VanDerWaalsContact O-N 3.15Å; A151-V154 PolarHBondContact O-N 3.3Å; A151-W157 HydrophobicContact CB-CH2 4.07Å; A151-W157 HydrophobicContact CB-CZ2 3.68Å; A151-W191 HydrophobicContact CB-CH2 3.79Å; A151-W191 HydrophobicContact CB-CZ3 4.06Å; A151-V196 HydrophobicContact CB-CG2 4.38Å
152E98.2Very high97.4Very high128 Ų12839.7 Ų39.760%0.59823%0.226SC*.THydrogen-bonded Turntrans-62.2-17.4174.4-72.6171-177.700113.4Q148 I150Q148-E152 HydrophobicContact CG-CG 4.5Å; Q148-E152 WeakPolarHBondContact CG-OE1 3.44Å; Q148-E152 PolarHBondContact NE2-OE1 3.04Å; Q148-E152 WeakPolarHBondContact O-CG 3.48Å; Q148-E152 PolarHBondContact O-N 3.31Å; I150-E152 VanDerWaalsContact C-N 3.31Å; I150-E152 PolarHBondContact O-N 3.25Å
153N98.3Very high97.4Very high48 Ų4838.6 Ų38.626%0.25722%0.219SC..THydrogen-bonded Turntrans-113.62.4-177.4-72.6-86.5000113.7G110 A114 V149 I150 A151G110-N153 VanDerWaalsContact O-CB 3.27Å; G110-N153 WeakPolarHBondContact O-CB 3.45Å; G110-N153 PolarHBondContact O-OD1 3.18Å; A114-N153 WeakPolarHBondContact CA-O 3.42Å; A114-N153 HydrophobicContact CB-CB 4.11Å; V149-N153 PolarHBondContact O-ND2 3.37Å; I150-N153 CarbonylContact O-C 3.57Å; I150-N153 WeakPolarHBondContact O-CA 3.47Å; I150-N153 PolarHBondContact O-N 3.33Å; A151-N153 PolarHBondContact O-N 3.41Å; A151-N153 VanDerWaalsContact O-N 3.15Å
154V97.8Very high97.4Very high18 Ų1838.5 Ų38.511%0.10922%0.219CC..  trans-97.8121.1178.9173.70000110.3V113 L117 I150 A151 W157 V160V113-V154 HydrophobicContact CG1-CG2 3.72Å; L117-V154 HydrophobicContact CD1-CB 4.22Å; L117-V154 HydrophobicContact CD1-CG1 4.02Å; L117-V154 HydrophobicContact CD1-CG2 3.99Å; I150-V154 HydrophobicContact CG2-CG2 3.96Å; I150-V154 WeakPolarHBondContact O-CG2 3.08Å; I150-V154 PolarHBondContact O-N 3.05Å; A151-V154 PolarHBondContact O-N 3.3Å; V154-W157 HydrophobicContact CB-CD2 4.36Å; V154-W157 HydrophobicContact CB-CH2 4.31Å; V154-W157 HydrophobicContact CB-CZ2 3.88Å; V154-W157 HydrophobicContact CG1-CD2 3.62Å; V154-W157 HydrophobicContact CG1-CE3 4.15Å; V154-W157 HydrophobicContact CG1-CG 3.8Å; V154-W157 HydrophobicContact CG1-CZ2 4.07Å; V154-W157 HydrophobicContact CG2-CH2 4.05Å; V154-W157 HydrophobicContact CG2-CZ2 4.14Å; V154-W157 HydrophobicContact CG2-CZ3 4.39Å; V154-V160 HydrophobicContact CG1-CG2 3.9Å; V154-V160 HydrophobicContact CG2-CG2 4.09Å
155T86.3Confident97.3Very high125 Ų12536.4 Ų36.477%0.76721%0.211SC*.SBendtrans-95.9-24.417456.20000113.4
156D92.3Very high97.1Very high79 Ų7934.1 Ų34.142%0.42219%0.192SC..  trans-140.8106179.8179.99000110.7G158D156-G158 PolarHBondContact O-N 3.2Å; D156-G158 WeakPolarHBondContact OD1-CA 3.46Å; D156-G158 PolarHBondContact OD1-N 3.02Å
157W97.3Very high96.8Very high26 Ų2635 Ų3510%0.09820%0.199CC..G310 helixtrans-72.7-15.6177.8-73.696.3000113.5I150 A151 V154 K159 V160 F192 V196 V200 L204I150-W157 HydrophobicContact CG2-CH2 4.45Å; A151-W157 HydrophobicContact CB-CH2 4.07Å; A151-W157 HydrophobicContact CB-CZ2 3.68Å; V154-W157 HydrophobicContact CB-CD2 4.36Å; V154-W157 HydrophobicContact CB-CH2 4.31Å; V154-W157 HydrophobicContact CB-CZ2 3.88Å; V154-W157 HydrophobicContact CG1-CD2 3.62Å; V154-W157 HydrophobicContact CG1-CE3 4.15Å; V154-W157 HydrophobicContact CG1-CG 3.8Å; V154-W157 HydrophobicContact CG1-CZ2 4.07Å; V154-W157 HydrophobicContact CG2-CH2 4.05Å; V154-W157 HydrophobicContact CG2-CZ2 4.14Å; V154-W157 HydrophobicContact CG2-CZ3 4.39Å; W157-K159 PolarHBondContact O-N 3.3Å; W157-K159 VanDerWaalsContact O-N 3.15Å; W157-V160 HydrophobicContact CE3-CB 3.94Å; W157-V160 HydrophobicContact CE3-CG1 4Å; W157-V160 HydrophobicContact CE3-CG2 4.37Å; W157-V160 HydrophobicContact CZ3-CB 4.31Å; W157-V160 HydrophobicContact CZ3-CG1 3.85Å; W157-V160 PolarHBondContact O-N 2.69Å; W157-V160 VanDerWaalsContact O-N 3.12Å; W157-F192 HydrophobicContact CE3-CE1 4.34Å; W157-F192 HydrophobicContact CH2-CD1 4.27Å; W157-F192 AromaticContact CH2-CE1 3.27Å; W157-F192 HydrophobicContact CH2-CE1 3.27Å; W157-F192 AromaticContact CH2-CZ 3.89Å; W157-F192 HydrophobicContact CH2-CZ 3.89Å; W157-F192 HydrophobicContact CZ2-CD1 4.41Å; W157-F192 AromaticContact CZ2-CE1 3.76Å; W157-F192 HydrophobicContact CZ2-CE1 3.76Å; W157-F192 AromaticContact CZ3-CE1 3.58Å; W157-F192 HydrophobicContact CZ3-CE1 3.58Å; W157-F192 AromaticContact CZ3-CZ 3.94Å; W157-F192 HydrophobicContact CZ3-CZ 3.94Å; W157-V196 HydrophobicContact CZ2-CG2 4.25Å; W157-V200 HydrophobicContact CB-CG1 4Å; W157-V200 HydrophobicContact CB-CG2 3.91Å; W157-V200 HydrophobicContact CD2-CG1 3.72Å; W157-V200 HydrophobicContact CE3-CG1 4.21Å; W157-V200 HydrophobicContact CG-CB 4.38Å; W157-V200 HydrophobicContact CG-CG1 3.61Å; W157-V200 HydrophobicContact CG-CG2 3.78Å; W157-L204 HydrophobicContact CE3-CD1 3.86Å; W157-L204 HydrophobicContact CE3-CD2 3.99Å; W157-L204 HydrophobicContact CZ3-CD1 4.3Å; W157-L204 HydrophobicContact CZ3-CD2 3.93Å
158G96.3Very high96.4Very high57 Ų5736.6 Ų36.659%0.58821%0.205SC*.G310 helixtrans-62.6-20176.500000113.2D156D156-G158 PolarHBondContact O-N 3.2Å; D156-G158 WeakPolarHBondContact OD1-CA 3.46Å; D156-G158 PolarHBondContact OD1-N 3.02Å
159K96.9Very high95.9Very high61 Ų6132.1 Ų32.127%0.26518%0.184SC..G310 helixtrans-105.39178.2-68.3-164.6169.3-156.20114.3L117 D120 G122 V123 W157L117-K159 HydrophobicContact CD2-CB 3.8Å; D120-K159 VanDerWaalsContact CG-NZ 3.28Å; D120-K159 PolarHBondContact O-NZ 3.07Å; D120-K159 IonicContact OD1-NZ 2.65Å; D120-K159 PolarHBondContact OD1-NZ 2.88Å; D120-K159 IonicContact OD2-NZ 3.65Å; G122-K159 CarbonylContact C-O 3.42Å; G122-K159 VanDerWaalsContact CA-O 3.26Å; G122-K159 WeakPolarHBondContact CA-O 3.48Å; V123-K159 PolarHBondContact N-O 2.85Å; W157-K159 PolarHBondContact O-N 3.3Å; W157-K159 VanDerWaalsContact O-N 3.15Å
160V98.8Very high95.1Very high0 Ų031.9 Ų31.90%018%0.181CC..EExtended strand (participates in β ladder)trans-109.9141.9-178.2-1780000110.8L117 V123 V154 W157 L204 R205L117-V160 HydrophobicContact CD1-CG2 4.11Å; L117-V160 HydrophobicContact CD2-CG2 4.04Å; V123-V160 WeakPolarHBondContact O-CA 3.36Å; V154-V160 HydrophobicContact CG1-CG2 3.9Å; V154-V160 HydrophobicContact CG2-CG2 4.09Å; W157-V160 HydrophobicContact CE3-CB 3.94Å; W157-V160 HydrophobicContact CE3-CG1 4Å; W157-V160 HydrophobicContact CE3-CG2 4.37Å; W157-V160 HydrophobicContact CZ3-CB 4.31Å; W157-V160 HydrophobicContact CZ3-CG1 3.85Å; W157-V160 PolarHBondContact O-N 2.69Å; W157-V160 VanDerWaalsContact O-N 3.12Å; V160-L204 HydrophobicContact CB-CD1 4.37Å; V160-L204 HydrophobicContact CG1-CD1 4.35Å; V160-L204 WeakPolarHBondContact O-CD1 3.38Å; V160-R205 PolarHBondContact O-NH2 3.24Å
161V98.9Very high93.9Very high0 Ų035.5 Ų35.50%022%0.219CC..EExtended strand (participates in β ladder)trans-123.5130.4162.6177.70000106.8F7 W90 V123 I124 A125 R205 I207F7-V161 HydrophobicContact CD1-CG1 4.1Å; F7-V161 HydrophobicContact CD1-CG2 4.46Å; F7-V161 HydrophobicContact CD2-CG2 3.95Å; F7-V161 HydrophobicContact CE1-CG1 4.29Å; F7-V161 HydrophobicContact CE1-CG2 4.44Å; F7-V161 HydrophobicContact CE2-CG2 3.91Å; F7-V161 HydrophobicContact CG-CG1 4.42Å; F7-V161 HydrophobicContact CG-CG2 4.22Å; F7-V161 HydrophobicContact CZ-CG2 4.16Å; W90-V161 HydrophobicContact CH2-CG2 3.85Å; W90-V161 HydrophobicContact CZ3-CG2 3.92Å; V123-V161 PolarHBondContact O-N 3.11Å; I124-V161 CarbonylContact C-O 3.55Å; I124-V161 WeakPolarHBondContact CA-O 3.34Å; I124-V161 HydrophobicContact CG1-CB 4.46Å; A125-V161 PolarHBondContact N-O 3.04Å; V161-R205 HydrophobicContact CG1-CB 4.31Å; V161-R205 HydrophobicContact CG2-CB 4.46Å; V161-R205 VanDerWaalsContact CG2-NH2 3.32Å; V161-I207 HydrophobicContact CG1-CB 4.39Å; V161-I207 HydrophobicContact CG1-CD1 3.64Å; V161-I207 HydrophobicContact CG1-CG1 3.8Å; V161-I207 HydrophobicContact CG1-CG2 3.79Å
162L98.9Very high92.9Very high0 Ų038.4 Ų38.40%023%0.234CC..EExtended strand (participates in β ladder)trans-94.9122.1174.9-170.773.5000109A125 I127 I150 L188 F192 L204 R205 I206 I207A125-L162 HydrophobicContact CB-CD1 4.4Å; I127-L162 HydrophobicContact CD1-CD1 4.06Å; I127-L162 HydrophobicContact CD1-CD2 3.76Å; I127-L162 HydrophobicContact CD1-CG 4.04Å; I127-L162 HydrophobicContact CG1-CD1 4.27Å; I127-L162 HydrophobicContact CG1-CG 4.35Å; I127-L162 HydrophobicContact CG2-CD1 4.11Å; I150-L162 HydrophobicContact CD1-CD1 4.38Å; L162-L188 HydrophobicContact CD2-CD1 4.23Å; L162-L188 HydrophobicContact CD2-CD2 4.35Å; L162-F192 HydrophobicContact CD2-CE2 3.56Å; L162-F192 HydrophobicContact CD2-CZ 3.85Å; L162-L204 HydrophobicContact CB-CD2 4.4Å; L162-R205 PolarHBondContact N-O 3.17Å; L162-I206 HydrophobicContact CD2-CG2 4.43Å; L162-I206 CarbonylContact O-C 3.55Å; L162-I206 WeakPolarHBondContact O-CA 3.46Å; L162-I207 PolarHBondContact O-N 2.78Å
163A98.8Very high91.7Very high0 Ų035.3 Ų35.30%024%0.237CC..EExtended strand (participates in β ladder)trans-101.5109.9174.900000110I124 A125 C126 I127 E165 I207 L230I124-A163 HydrophobicContact CG2-CB 3.98Å; A125-A163 PolarHBondContact O-N 3.49Å; C126-A163 WeakPolarHBondContact CA-O 3.49Å; C126-A163 HydrophobicContact CB-CB 4.46Å; I127-A163 PolarHBondContact N-O 3.27Å; A163-E165 HydrophobicContact CB-CG 4.23Å; A163-I207 CarbonylContact C-O 3.58Å; A163-I207 WeakPolarHBondContact CA-O 3.46Å; A163-I207 HydrophobicContact CB-CD1 4.02Å; A163-I207 HydrophobicContact CB-CG1 3.7Å; A163-L230 HydrophobicContact CB-CB 4.34Å; A163-L230 HydrophobicContact CB-CD2 3.82Å
164Y98.7Very high90.7Very high0 Ų039.2 Ų39.20%025%0.252CS..EExtended strand (participates in β ladder)trans-84.1112.9168.8167.3-119.6000109.3E129 V143 P166 V184 H185 L188 I207 Y208 G209E129-Y164 PolarHBondContact OE1-OH 3.4Å; E129-Y164 VanDerWaalsContact OE2-CE2 3.32Å; E129-Y164 WeakPolarHBondContact OE2-CE2 3.37Å; E129-Y164 PolarHBondContact OE2-OH 2.74Å; V143-Y164 HydrophobicContact CG1-CD2 4.32Å; V143-Y164 HydrophobicContact CG1-CE2 4.17Å; Y164-P166 HydrophobicContact CE1-CG 4.1Å; Y164-P166 HydrophobicContact CE2-CB 4.36Å; Y164-P166 HydrophobicContact CE2-CG 4.45Å; Y164-V184 HydrophobicContact CD1-CB 4.19Å; Y164-V184 HydrophobicContact CD1-CG1 4.01Å; Y164-V184 HydrophobicContact CD2-CG1 3.88Å; Y164-V184 HydrophobicContact CE1-CB 3.71Å; Y164-V184 HydrophobicContact CE1-CG1 3.79Å; Y164-V184 HydrophobicContact CE1-CG2 4.11Å; Y164-V184 HydrophobicContact CE2-CB 4.4Å; Y164-V184 HydrophobicContact CE2-CG1 3.67Å; Y164-V184 HydrophobicContact CG-CG1 4.04Å; Y164-H185 AromaticContact CD1-CD2 3.64Å; Y164-H185 AromaticContact CD1-NE2 3.61Å; Y164-L188 HydrophobicContact CG-CD1 4.49Å; Y164-I207 PolarHBondContact N-O 2.96Å; Y164-Y208 HydrophobicContact CD1-CD2 4.2Å; Y164-Y208 HydrophobicContact CE1-CD2 4.43Å; Y164-G209 PolarHBondContact O-N 3.12Å
165E96.1Very high89.8Confident10 Ų1040.6 Ų40.65%0.04726%0.26CS..  trans-125.888.4-177.1-53.8-166.495.500111.3H95 C126 I127 A163 V167 I170 G209H95-E165 IonicContact CD2-OE2 3.61Å; H95-E165 PolarHBondContact CD2-OE2 3.5Å; H95-E165 IonicContact NE2-OE1 3.75Å; H95-E165 IonicContact NE2-OE2 3.94Å; C126-E165 WeakPolarHBondContact CB-OE2 3.45Å; C126-E165 PolarHBondContact SG-OE2 3.46Å; I127-E165 PolarHBondContact O-N 3.35Å; A163-E165 HydrophobicContact CB-CG 4.23Å; E165-V167 PolarHBondContact O-N 2.83Å; E165-I170 HydrophobicContact CB-CD1 3.89Å; E165-I170 HydrophobicContact CB-CG1 4.5Å; E165-G209 WeakPolarHBondContact CA-O 3.27Å; E165-G209 VanDerWaalsContact CB-O 3.23Å; E165-G209 WeakPolarHBondContact CB-O 3.23Å
166P93.7Very high89.9Confident0 Ų034.8 Ų34.80%023%0.225CC..  trans-58.6117.7175.618-24.3000109.2Y164 W168 A169 Y208Y164-P166 HydrophobicContact CE1-CG 4.1Å; Y164-P166 HydrophobicContact CE2-CB 4.36Å; Y164-P166 HydrophobicContact CE2-CG 4.45Å; P166-W168 HydrophobicContact CB-CD2 4.29Å; P166-W168 HydrophobicContact CB-CG 4.47Å; P166-W168 HydrophobicContact CB-CZ2 3.93Å; P166-W168 VanDerWaalsContact CB-NE1 3.33Å; P166-W168 HydrophobicContact CG-CZ2 4.35Å; P166-W168 PolarHBondContact O-N 2.79Å; P166-W168 VanDerWaalsContact O-N 3.07Å; P166-A169 HydrophobicContact CB-CB 4.41Å; P166-A169 HydrophobicContact CG-CB 3.96Å; P166-A169 WeakPolarHBondContact O-CB 3.48Å; P166-A169 PolarHBondContact O-N 2.82Å; P166-Y208 HydrophobicContact CG-CE2 3.93Å
167V92.9Very high90Very high36 Ų3633.9 Ų33.922%0.21822%0.223CC..G310 helixtrans-59.8-33.3-167.4-179.70000111.1E129 E165 A169 I170E129-V167 WeakPolarHBondContact O-CB 3.21Å; E129-V167 WeakPolarHBondContact O-CG2 3.49Å; E129-V167 PolarHBondContact O-N 3.24Å; E165-V167 PolarHBondContact O-N 2.83Å; V167-A169 PolarHBondContact O-N 2.84Å; V167-I170 PolarHBondContact O-N 2.97Å
168W91.6Very high90Very high33 Ų3333.3 Ų33.313%0.12522%0.222CC..G310 helixtrans-68.7-16.2178.358.9-95.2000114.3E129 L131 P166 T172 A176E129-W168 PolarHBondContact OE1-NE1 2.76Å; L131-W168 HydrophobicContact CB-CB 3.76Å; L131-W168 HydrophobicContact CB-CG 4.45Å; L131-W168 HydrophobicContact CD1-CB 3.98Å; L131-W168 HydrophobicContact CD1-CG 4.13Å; L131-W168 HydrophobicContact CG-CB 4.38Å; P166-W168 HydrophobicContact CB-CD2 4.29Å; P166-W168 HydrophobicContact CB-CG 4.47Å; P166-W168 HydrophobicContact CB-CZ2 3.93Å; P166-W168 VanDerWaalsContact CB-NE1 3.33Å; P166-W168 HydrophobicContact CG-CZ2 4.35Å; P166-W168 PolarHBondContact O-N 2.79Å; P166-W168 VanDerWaalsContact O-N 3.07Å; W168-T172 WeakPolarHBondContact O-CG2 3.38Å; W168-T172 PolarHBondContact O-OG1 2.97Å; W168-A176 HydrophobicContact CH2-CB 3.85Å; W168-A176 HydrophobicContact CZ2-CB 4.35Å
169A86.4Confident90Very high0 Ų035.9 Ų35.90%022%0.219CC..G310 helixtrans-96.2-3.1175.300000113.4P166 V167 G171 K174 G210 S211P166-A169 HydrophobicContact CB-CB 4.41Å; P166-A169 HydrophobicContact CG-CB 3.96Å; P166-A169 WeakPolarHBondContact O-CB 3.48Å; P166-A169 PolarHBondContact O-N 2.82Å; V167-A169 PolarHBondContact O-N 2.84Å; A169-G171 PolarHBondContact O-N 3.38Å; A169-K174 WeakPolarHBondContact CA-O 3.5Å; A169-K174 WeakPolarHBondContact CB-O 3.33Å; A169-G210 CarbonylContact O-C 3.4Å; A169-S211 WeakPolarHBondContact O-CB 3.31Å; A169-S211 PolarHBondContact O-N 3.02Å; A169-S211 VanDerWaalsContact O-N 3.16Å; A169-S211 PolarHBondContact O-OG 3.43Å
170I82.4Confident90Very high28 Ų2835.9 Ų35.914%0.14422%0.22CC..SBendtrans-87109.4-175.7-58.4175.1000110.3S96 E165 V167 T172S96-I170 WeakPolarHBondContact OG-CD1 3.25Å; E165-I170 HydrophobicContact CB-CD1 3.89Å; E165-I170 HydrophobicContact CB-CG1 4.5Å; V167-I170 PolarHBondContact O-N 2.97Å; I170-T172 PolarHBondContact O-N 3.49Å; I170-T172 VanDerWaalsContact O-N 3.17Å
171G72.8Confident89.9Confident77 Ų7735.9 Ų35.979%0.79422%0.22SC*.SBendtrans717.8173.100000115A169A169-G171 PolarHBondContact O-N 3.38Å
172T78.3Confident89.9Confident80 Ų8037.1 Ų37.149%0.49123%0.226SC..SBendtrans-93.3-12-179.960.60000113.1W168 I170 K174W168-T172 WeakPolarHBondContact O-CG2 3.38Å; W168-T172 PolarHBondContact O-OG1 2.97Å; I170-T172 PolarHBondContact O-N 3.49Å; I170-T172 VanDerWaalsContact O-N 3.17Å; T172-K174 PolarHBondContact O-N 3.45Å; T172-K174 WeakPolarHBondContact OG1-CB 3.23Å; T172-K174 PolarHBondContact OG1-N 3.47Å
173G71.5Confident89.9Confident64 Ų6441.3 Ų41.366%0.6625%0.245SC*.SBendtrans72.9-4.6-169.800000113.6S211G173-S211 PolarHBondContact N-OG 3.24Å
174K77.9Confident89.9Confident129 Ų12941.6 Ų41.656%0.56125%0.247SC*.  trans-80.3125.2165.6-63.2-175.9177-176.30107.4A169 T172 S211A169-K174 WeakPolarHBondContact CA-O 3.5Å; A169-K174 WeakPolarHBondContact CB-O 3.33Å; T172-K174 PolarHBondContact O-N 3.45Å; T172-K174 WeakPolarHBondContact OG1-CB 3.23Å; T172-K174 PolarHBondContact OG1-N 3.47Å; K174-S211 PolarHBondContact O-OG 3.47Å
175T78.6Confident89.9Confident47 Ų4741.6 Ų41.629%0.28825%0.247SC..  trans-110.8139.3174.2-480000106.9Y208 G210 S211 N216 L220T175-Y208 HydrophobicContact CG2-CE1 4.35Å; T175-G210 WeakPolarHBondContact CG2-O 3.17Å; T175-S211 WeakPolarHBondContact OG1-CB 3.3Å; T175-S211 PolarHBondContact OG1-O 3.3Å; T175-N216 WeakPolarHBondContact CG2-ND2 3.11Å; T175-L220 HydrophobicContact CG2-CD1 4.41Å
176A89Confident90Very high3 Ų346.5 Ų46.53%0.02527%0.27CS..  trans-58.1144.3165.400000109.2W168 Q180 Y208W168-A176 HydrophobicContact CH2-CB 3.85Å; W168-A176 HydrophobicContact CZ2-CB 4.35Å; A176-Q180 HydrophobicContact CB-CB 4.09Å; A176-Y208 HydrophobicContact CB-CE2 3.93Å; A176-Y208 WeakPolarHBondContact CB-OH 3.48Å; A176-Y208 PolarHBondContact N-OH 2.87Å; A176-Y208 VanDerWaalsContact N-OH 3.16Å
177T95.1Very high90.2Very high61 Ų6149.1 Ų49.137%0.37428%0.281SS..  trans-65156.1169.681.30000109.1E179 Q180 A181T177-E179 VanDerWaalsContact CB-OE2 3.3Å; T177-E179 WeakPolarHBondContact CB-OE2 3.3Å; T177-E179 PolarHBondContact O-N 3.34Å; T177-E179 PolarHBondContact OG1-OE2 3Å; T177-Q180 WeakPolarHBondContact O-CB 3.35Å; T177-Q180 PolarHBondContact O-N 2.87Å; T177-Q180 WeakPolarHBondContact OG1-CG 3.45Å; T177-Q180 PolarHBondContact OG1-N 2.77Å; T177-A181 PolarHBondContact O-N 3.01Å
178P96.3Very high90.5Very high14 Ų1447.4 Ų47.49%0.09127%0.271CS..Hα-helixtrans-52-39.1175.6-25.633.9000113.2A181 Q182 E219 L220 Q223P178-A181 PolarHBondContact O-N 3.34Å; P178-Q182 WeakPolarHBondContact O-CB 3.44Å; P178-Q182 PolarHBondContact O-N 2.81Å; P178-E219 HydrophobicContact CB-CG 4.36Å; P178-E219 HydrophobicContact CG-CB 4.1Å; P178-E219 HydrophobicContact CG-CG 3.58Å; P178-L220 HydrophobicContact CB-CD2 4.47Å; P178-Q223 HydrophobicContact CB-CG 3.9Å; P178-Q223 VanDerWaalsContact CB-NE2 3.3Å
179E97.3Very high90.8Very high110 Ų11046 Ų4651%0.51427%0.266SS..Hα-helixtrans-66.9-38.4177.9-56.871.8-154.800111.8T177 A181 Q182 E183T177-E179 VanDerWaalsContact CB-OE2 3.3Å; T177-E179 WeakPolarHBondContact CB-OE2 3.3Å; T177-E179 PolarHBondContact O-N 3.34Å; T177-E179 PolarHBondContact OG1-OE2 3Å; E179-A181 VanDerWaalsContact C-N 3.33Å; E179-Q182 PolarHBondContact O-N 2.85Å; E179-E183 WeakPolarHBondContact O-CB 3.36Å; E179-E183 PolarHBondContact O-N 2.91Å
180Q96.1Very high91.4Very high61 Ų6148.3 Ų48.329%0.28529%0.285SS..Hα-helixtrans-67.4-35176.4-69.8178.3-31.700112.2A176 T177A176-Q180 HydrophobicContact CB-CB 4.09Å; T177-Q180 WeakPolarHBondContact O-CB 3.35Å; T177-Q180 PolarHBondContact O-N 2.87Å; T177-Q180 WeakPolarHBondContact OG1-CG 3.45Å; T177-Q180 PolarHBondContact OG1-N 2.77Å
181A97.1Very high92.2Very high0 Ų048.2 Ų48.20%028%0.283CS..Hα-helixtrans-69.8-48.3173.800000110.5T177 P178 E179 E183 V184 H185 Y208 L220 V226T177-A181 PolarHBondContact O-N 3.01Å; P178-A181 PolarHBondContact O-N 3.34Å; E179-A181 VanDerWaalsContact C-N 3.33Å; A181-E183 PolarHBondContact O-N 3.17Å; A181-V184 PolarHBondContact O-N 3.3Å; A181-H185 WeakPolarHBondContact O-CB 3.2Å; A181-H185 PolarHBondContact O-CD2 3.16Å; A181-H185 PolarHBondContact O-N 3.28Å; A181-Y208 HydrophobicContact CB-CD2 3.86Å; A181-Y208 HydrophobicContact CB-CE2 4.18Å; A181-Y208 HydrophobicContact CB-CG 4.36Å; A181-L220 HydrophobicContact CB-CD2 4.05Å; A181-V226 HydrophobicContact CB-CG2 4.4Å
182Q98.4Very high93.4Very high27 Ų2744.6 Ų44.613%0.12625%0.245CC..Hα-helixtrans-56.3-46.3177.4174.655.432.100112.2P178 E179 V184 H185 E186 Q223 G224 D225P178-Q182 WeakPolarHBondContact O-CB 3.44Å; P178-Q182 PolarHBondContact O-N 2.81Å; E179-Q182 PolarHBondContact O-N 2.85Å; Q182-V184 VanDerWaalsContact C-N 3.32Å; Q182-V184 PolarHBondContact O-N 2.84Å; Q182-H185 PolarHBondContact O-N 3.27Å; Q182-E186 WeakPolarHBondContact O-CB 3.38Å; Q182-E186 PolarHBondContact O-N 2.78Å; Q182-Q223 HydrophobicContact CB-CB 4.04Å; Q182-Q223 HydrophobicContact CB-CG 4.08Å; Q182-Q223 HydrophobicContact CG-CB 4.45Å; Q182-G224 VanDerWaalsContact OE1-N 3.14Å; Q182-D225 PolarHBondContact NE2-OD2 3.37Å
183E98.3Very high94.4Very high88 Ų8845.6 Ų45.641%0.41124%0.24SC..Hα-helixtrans-55.1-46.9-180-177.7-170.8176.300111.8E179 A181 K187E179-E183 WeakPolarHBondContact O-CB 3.36Å; E179-E183 PolarHBondContact O-N 2.91Å; A181-E183 PolarHBondContact O-N 3.17Å; E183-K187 HydrophobicContact CG-CD 4.32Å; E183-K187 WeakPolarHBondContact O-CB 3.42Å; E183-K187 WeakPolarHBondContact O-CD 3.22Å; E183-K187 VanDerWaalsContact O-CG 3.25Å; E183-K187 WeakPolarHBondContact O-CG 3.44Å; E183-K187 PolarHBondContact O-N 3.48Å; E183-K187 IonicContact OE1-NZ 2.63Å; E183-K187 PolarHBondContact OE1-NZ 2.76Å
184V98.4Very high95.7Very high6 Ų646.5 Ų46.54%0.03624%0.241CC..Hα-helixtrans-73.8-38.2-178.6179.80000111.3T139 V143 Y164 A181 Q182 K187 L188T139-V184 HydrophobicContact CG2-CG2 4.03Å; V143-V184 HydrophobicContact CG2-CG1 4.46Å; Y164-V184 HydrophobicContact CD1-CB 4.19Å; Y164-V184 HydrophobicContact CD1-CG1 4.01Å; Y164-V184 HydrophobicContact CD2-CG1 3.88Å; Y164-V184 HydrophobicContact CE1-CB 3.71Å; Y164-V184 HydrophobicContact CE1-CG1 3.79Å; Y164-V184 HydrophobicContact CE1-CG2 4.11Å; Y164-V184 HydrophobicContact CE2-CB 4.4Å; Y164-V184 HydrophobicContact CE2-CG1 3.67Å; Y164-V184 HydrophobicContact CG-CG1 4.04Å; A181-V184 PolarHBondContact O-N 3.3Å; Q182-V184 VanDerWaalsContact C-N 3.32Å; Q182-V184 PolarHBondContact O-N 2.84Å; V184-K187 PolarHBondContact O-N 2.78Å; V184-L188 HydrophobicContact CG1-CD1 3.99Å; V184-L188 HydrophobicContact CG1-CG 4.35Å; V184-L188 WeakPolarHBondContact O-CB 3.47Å; V184-L188 WeakPolarHBondContact O-CG 3.37Å; V184-L188 PolarHBondContact O-N 2.97Å
185H98.8Very high96.7Very high0 Ų045.1 Ų45.10%024%0.24CC..Hα-helixtrans-64.3-43.1177.1-80.7-129.6000112.5Y164 A181 Q182 K187 L188 R189 I206 D225Y164-H185 AromaticContact CD1-CD2 3.64Å; Y164-H185 AromaticContact CD1-NE2 3.61Å; A181-H185 WeakPolarHBondContact O-CB 3.2Å; A181-H185 PolarHBondContact O-CD2 3.16Å; A181-H185 PolarHBondContact O-N 3.28Å; Q182-H185 PolarHBondContact O-N 3.27Å; H185-K187 VanDerWaalsContact C-N 3.33Å; H185-K187 PolarHBondContact O-N 2.85Å; H185-L188 PolarHBondContact O-N 2.89Å; H185-R189 WeakPolarHBondContact O-CB 3.47Å; H185-R189 PolarHBondContact O-N 2.88Å; H185-I206 PolarHBondContact CE1-O 3.34Å; H185-I206 WeakPolarHBondContact ND1-CG2 3.32Å; H185-I206 PolarHBondContact ND1-O 3.38Å; H185-I206 VanDerWaalsContact ND1-O 3.16Å; H185-D225 HydrophobicContact CB-CB 3.74Å; H185-D225 PolarHBondContact ND1-O 3.42Å
186E98.7Very high97.6Very high113 Ų11345.4 Ų45.453%0.52824%0.241SC..Hα-helixtrans-60.6-44.6176.3-175.9178.5176.700110.9Q182 R189 A190Q182-E186 WeakPolarHBondContact O-CB 3.38Å; Q182-E186 PolarHBondContact O-N 2.78Å; E186-R189 PolarHBondContact O-N 3.06Å; E186-A190 WeakPolarHBondContact O-CB 3.39Å; E186-A190 PolarHBondContact O-N 2.76Å
187K98.8Very high98Very high55 Ų5547.4 Ų47.424%0.23926%0.255CS..Hα-helixtrans-62.5-45175.9-78.3175.5-174.8-179.90112.8E140 Y144 E183 V184 H185 R189 A190 W191E140-K187 HydrophobicContact CG-CD 3.83Å; E140-K187 WeakPolarHBondContact OE1-CD 3.41Å; E140-K187 WeakPolarHBondContact OE1-CE 3.43Å; E140-K187 IonicContact OE1-NZ 3.95Å; E140-K187 PolarHBondContact OE1-NZ 3.23Å; Y144-K187 WeakPolarHBondContact OH-CB 3.07Å; E183-K187 HydrophobicContact CG-CD 4.32Å; E183-K187 WeakPolarHBondContact O-CB 3.42Å; E183-K187 WeakPolarHBondContact O-CD 3.22Å; E183-K187 VanDerWaalsContact O-CG 3.25Å; E183-K187 WeakPolarHBondContact O-CG 3.44Å; E183-K187 PolarHBondContact O-N 3.48Å; E183-K187 IonicContact OE1-NZ 2.63Å; E183-K187 PolarHBondContact OE1-NZ 2.76Å; V184-K187 PolarHBondContact O-N 2.78Å; H185-K187 VanDerWaalsContact C-N 3.33Å; H185-K187 PolarHBondContact O-N 2.85Å; K187-R189 VanDerWaalsContact C-N 3.34Å; K187-R189 PolarHBondContact O-N 3.22Å; K187-A190 PolarHBondContact O-N 3.16Å; K187-W191 PolarHBondContact O-N 3.2Å
188L98.8Very high98.1Very high0 Ų049.2 Ų49.20%026%0.263CS..Hα-helixtrans-61.3-42.7173.8-75.1167.3000111.4I127 V143 Y144 T147 L162 Y164 V184 H185 A190 W191 F192 I206I127-L188 HydrophobicContact CD1-CD1 3.85Å; I127-L188 HydrophobicContact CD1-CD2 3.69Å; I127-L188 HydrophobicContact CD1-CG 4.45Å; V143-L188 HydrophobicContact CB-CD2 4.32Å; V143-L188 HydrophobicContact CG2-CD2 4.05Å; Y144-L188 HydrophobicContact CD1-CD2 4.31Å; Y144-L188 HydrophobicContact CE1-CD2 4.44Å; T147-L188 WeakPolarHBondContact OG1-CD2 3.26Å; L162-L188 HydrophobicContact CD2-CD1 4.23Å; L162-L188 HydrophobicContact CD2-CD2 4.35Å; Y164-L188 HydrophobicContact CG-CD1 4.49Å; V184-L188 HydrophobicContact CG1-CD1 3.99Å; V184-L188 HydrophobicContact CG1-CG 4.35Å; V184-L188 WeakPolarHBondContact O-CB 3.47Å; V184-L188 WeakPolarHBondContact O-CG 3.37Å; V184-L188 PolarHBondContact O-N 2.97Å; H185-L188 PolarHBondContact O-N 2.89Å; L188-A190 VanDerWaalsContact C-N 3.35Å; L188-A190 PolarHBondContact O-N 2.81Å; L188-W191 WeakPolarHBondContact O-CB 3.48Å; L188-W191 PolarHBondContact O-N 3.41Å; L188-W191 VanDerWaalsContact O-N 3.13Å; L188-F192 WeakPolarHBondContact O-CD2 3.48Å; L188-F192 PolarHBondContact O-N 3.28Å; L188-I206 HydrophobicContact CB-CD1 3.93Å; L188-I206 HydrophobicContact CD1-CG2 4.18Å
189R98.8Very high98.1Very high4 Ų455 Ų552%0.01529%0.292CS..Hα-helixtrans-63.7-41.2176.8-163.4175.6-54.7-79.7-2.2111.8H185 E186 K187 W191 F192 R193 A201 L204 I206 D225 D227H185-R189 WeakPolarHBondContact O-CB 3.47Å; H185-R189 PolarHBondContact O-N 2.88Å; E186-R189 PolarHBondContact O-N 3.06Å; K187-R189 VanDerWaalsContact C-N 3.34Å; K187-R189 PolarHBondContact O-N 3.22Å; R189-W191 VanDerWaalsContact C-N 3.3Å; R189-W191 PolarHBondContact O-N 2.88Å; R189-F192 PolarHBondContact O-N 3.41Å; R189-R193 PolarHBondContact O-N 2.65Å; R189-A201 WeakPolarHBondContact CD-O 3.45Å; R189-A201 HydrophobicContact CG-CB 4.16Å; R189-A201 WeakPolarHBondContact CG-O 3.3Å; R189-A201 PolarHBondContact NH1-O 2.93Å; R189-L204 PolarHBondContact NH1-O 2.95Å; R189-I206 HydrophobicContact CB-CD1 4.11Å; R189-D225 VanDerWaalsContact CD-OD1 3.24Å; R189-D225 WeakPolarHBondContact CD-OD1 3.14Å; R189-D225 IonicContact CZ-OD1 3.72Å; R189-D225 IonicContact NE-OD1 2.62Å; R189-D225 PolarHBondContact NE-OD1 3.46Å; R189-D225 PolarHBondContact NH2-O 3.18Å; R189-D225 IonicContact NH2-OD1 2.83Å; R189-D227 IonicContact CZ-OD2 2.55Å; R189-D227 IonicContact NH1-OD2 3.1Å; R189-D227 IonicContact NH2-OD1 2.64Å; R189-D227 IonicContact NH2-OD2 3.76Å; R189-D227 PolarHBondContact NH2-OD2 3.16Å
190A98.7Very high98.1Very high48 Ų4850.5 Ų50.540%0.39727%0.272SS..Hα-helixtrans-61.9-38.5172.600000112E186 K187 L188 R193 A194E186-A190 WeakPolarHBondContact O-CB 3.39Å; E186-A190 PolarHBondContact O-N 2.76Å; K187-A190 PolarHBondContact O-N 3.16Å; L188-A190 VanDerWaalsContact C-N 3.35Å; L188-A190 PolarHBondContact O-N 2.81Å; A190-R193 WeakPolarHBondContact O-CB 3.36Å; A190-R193 PolarHBondContact O-N 3.49Å; A190-A194 PolarHBondContact O-N 3.21Å
191W98.8Very high98.2Very high26 Ų2647.6 Ų47.610%0.09826%0.259CS..Hα-helixtrans-61.3-46.3174.2-173.598.9000111.7Y144 T147 Q148 A151 K187 L188 R189 R193 A194 N195 V196Y144-W191 HydrophobicContact CD1-CB 4.02Å; Y144-W191 AromaticContact CD1-CD1 3.44Å; Y144-W191 VanDerWaalsContact CD1-CD1 3.44Å; Y144-W191 AromaticContact CD1-CG 3.8Å; Y144-W191 HydrophobicContact CD1-CG 3.8Å; Y144-W191 AromaticContact CD2-CD1 3.89Å; Y144-W191 HydrophobicContact CE1-CB 3.74Å; Y144-W191 AromaticContact CE1-CD1 3.85Å; Y144-W191 HydrophobicContact CE1-CG 4.02Å; Y144-W191 AromaticContact CG-CD1 3.47Å; Y144-W191 VanDerWaalsContact CG-CD1 3.47Å; Y144-W191 HydrophobicContact CG-CG 4.27Å; Y144-W191 AromaticContact CG-NE1 3.92Å; T147-W191 HydrophobicContact CG2-CD2 4.25Å; T147-W191 HydrophobicContact CG2-CE3 3.6Å; T147-W191 HydrophobicContact CG2-CH2 4.06Å; T147-W191 HydrophobicContact CG2-CZ3 3.51Å; Q148-W191 HydrophobicContact CB-CH2 4.29Å; Q148-W191 HydrophobicContact CB-CZ2 3.8Å; Q148-W191 HydrophobicContact CG-CZ2 4.27Å; A151-W191 HydrophobicContact CB-CH2 3.79Å; A151-W191 HydrophobicContact CB-CZ3 4.06Å; K187-W191 PolarHBondContact O-N 3.2Å; L188-W191 WeakPolarHBondContact O-CB 3.48Å; L188-W191 PolarHBondContact O-N 3.41Å; L188-W191 VanDerWaalsContact O-N 3.13Å; R189-W191 VanDerWaalsContact C-N 3.3Å; R189-W191 PolarHBondContact O-N 2.88Å; W191-R193 VanDerWaalsContact C-N 3.29Å; W191-R193 PolarHBondContact O-N 3.24Å; W191-A194 PolarHBondContact O-N 2.78Å; W191-N195 HydrophobicContact CD2-CB 4.24Å; W191-N195 HydrophobicContact CE3-CB 4.29Å; W191-N195 HydrophobicContact CH2-CB 3.94Å; W191-N195 HydrophobicContact CZ2-CB 3.92Å; W191-N195 HydrophobicContact CZ3-CB 4.14Å; W191-N195 PolarHBondContact NE1-ND2 3.3Å; W191-N195 WeakPolarHBondContact O-CB 3.29Å; W191-N195 PolarHBondContact O-N 3.48Å; W191-N195 PolarHBondContact O-ND2 3.09Å; W191-V196 HydrophobicContact CZ3-CG2 4.09Å
192F98.6Very high98.2Very high1 Ų151.3 Ų51.30%0.00428%0.276CS..Hα-helixtrans-61.4-39.4175.5-79.9-67.4000112.6T147 W157 L162 L188 R189 A194 V196 S197 V200 A201 L204 I206T147-F192 HydrophobicContact CG2-CE1 3.98Å; T147-F192 HydrophobicContact CG2-CE2 3.95Å; T147-F192 HydrophobicContact CG2-CZ 3.39Å; W157-F192 HydrophobicContact CE3-CE1 4.34Å; W157-F192 HydrophobicContact CH2-CD1 4.27Å; W157-F192 AromaticContact CH2-CE1 3.27Å; W157-F192 HydrophobicContact CH2-CE1 3.27Å; W157-F192 AromaticContact CH2-CZ 3.89Å; W157-F192 HydrophobicContact CH2-CZ 3.89Å; W157-F192 HydrophobicContact CZ2-CD1 4.41Å; W157-F192 AromaticContact CZ2-CE1 3.76Å; W157-F192 HydrophobicContact CZ2-CE1 3.76Å; W157-F192 AromaticContact CZ3-CE1 3.58Å; W157-F192 HydrophobicContact CZ3-CE1 3.58Å; W157-F192 AromaticContact CZ3-CZ 3.94Å; W157-F192 HydrophobicContact CZ3-CZ 3.94Å; L162-F192 HydrophobicContact CD2-CE2 3.56Å; L162-F192 HydrophobicContact CD2-CZ 3.85Å; L188-F192 WeakPolarHBondContact O-CD2 3.48Å; L188-F192 PolarHBondContact O-N 3.28Å; R189-F192 PolarHBondContact O-N 3.41Å; F192-A194 VanDerWaalsContact C-N 3.31Å; F192-A194 PolarHBondContact O-N 3.1Å; F192-V196 HydrophobicContact CD1-CB 4.33Å; F192-V196 HydrophobicContact CD1-CG2 3.78Å; F192-V196 HydrophobicContact CE1-CG2 4.32Å; F192-V196 WeakPolarHBondContact O-CA 3.22Å; F192-V196 WeakPolarHBondContact O-CB 3.28Å; F192-V196 PolarHBondContact O-N 3.04Å; F192-S197 PolarHBondContact O-N 3.36Å; F192-V200 HydrophobicContact CD1-CG1 4.11Å; F192-A201 HydrophobicContact CB-CB 3.94Å; F192-L204 HydrophobicContact CD1-CD2 4.05Å; F192-L204 HydrophobicContact CD2-CD2 3.69Å; F192-L204 HydrophobicContact CE1-CD2 3.79Å; F192-L204 HydrophobicContact CE2-CD2 3.39Å; F192-L204 HydrophobicContact CG-CD2 4.02Å; F192-L204 HydrophobicContact CZ-CD2 3.44Å; F192-L204 VanDerWaalsContact CZ-CD2 3.44Å; F192-I206 HydrophobicContact CD2-CD1 4.43Å
193R98.5Very high98.2Very high100 Ų10053.4 Ų53.438%0.37729%0.294SS..Hα-helixtrans-60.3-44.7178-164.7175.3-71.9110.7-1.3111.2R189 A190 W191 D198 A201 E202R189-R193 PolarHBondContact O-N 2.65Å; A190-R193 WeakPolarHBondContact O-CB 3.36Å; A190-R193 PolarHBondContact O-N 3.49Å; W191-R193 VanDerWaalsContact C-N 3.29Å; W191-R193 PolarHBondContact O-N 3.24Å; R193-D198 WeakPolarHBondContact CD-OD1 3.17Å; R193-D198 WeakPolarHBondContact CG-OD1 3.33Å; R193-A201 HydrophobicContact CB-CB 3.81Å; R193-A201 HydrophobicContact CG-CB 4.37Å; R193-E202 IonicContact CZ-OE1 2.76Å; R193-E202 IonicContact NH2-OE1 3.8Å; R193-E202 PolarHBondContact NH2-OE1 2.75Å
194A98.5Very high98.2Very high83 Ų8349.3 Ų49.369%0.68628%0.275SS*.Hα-helixtrans-77.1-34.3-177.600000114.1A190 W191 F192A190-A194 PolarHBondContact O-N 3.21Å; W191-A194 PolarHBondContact O-N 2.78Å; F192-A194 VanDerWaalsContact C-N 3.31Å; F192-A194 PolarHBondContact O-N 3.1Å
195N98.3Very high98.2Very high101 Ų10150.3 Ų50.354%0.5428%0.278SS..Hα-helixtrans-109.7-15.7-168.1-62.4-79.6000114.4W191W191-N195 HydrophobicContact CD2-CB 4.24Å; W191-N195 HydrophobicContact CE3-CB 4.29Å; W191-N195 HydrophobicContact CH2-CB 3.94Å; W191-N195 HydrophobicContact CZ2-CB 3.92Å; W191-N195 HydrophobicContact CZ3-CB 4.14Å; W191-N195 PolarHBondContact NE1-ND2 3.3Å; W191-N195 WeakPolarHBondContact O-CB 3.29Å; W191-N195 PolarHBondContact O-N 3.48Å; W191-N195 PolarHBondContact O-ND2 3.09Å
196V97.9Very high98.2Very high53 Ų5350.3 Ų50.332%0.32128%0.278SS..THydrogen-bonded Turntrans-121.9-71.9-179.6-173.10000111A151 W157 W191 F192 V200A151-V196 HydrophobicContact CB-CG2 4.38Å; W157-V196 HydrophobicContact CZ2-CG2 4.25Å; W191-V196 HydrophobicContact CZ3-CG2 4.09Å; F192-V196 HydrophobicContact CD1-CB 4.33Å; F192-V196 HydrophobicContact CD1-CG2 3.78Å; F192-V196 HydrophobicContact CE1-CG2 4.32Å; F192-V196 WeakPolarHBondContact O-CA 3.22Å; F192-V196 WeakPolarHBondContact O-CB 3.28Å; F192-V196 PolarHBondContact O-N 3.04Å; V196-V200 HydrophobicContact CB-CB 4.44Å; V196-V200 HydrophobicContact CB-CG1 4.38Å; V196-V200 HydrophobicContact CG1-CB 3.92Å; V196-V200 HydrophobicContact CG1-CG1 3.95Å; V196-V200 HydrophobicContact CG1-CG2 3.78Å
197S97.9Very high98.2Very high44 Ų4445 Ų4531%0.30825%0.253SS..  trans-176.9161.1172.158.40000111.2F192 D199 V200 A201F192-S197 PolarHBondContact O-N 3.36Å; S197-D199 VanDerWaalsContact C-N 3.31Å; S197-D199 PolarHBondContact O-N 3.34Å; S197-V200 PolarHBondContact O-N 3.27Å; S197-V200 WeakPolarHBondContact OG-CB 3.39Å; S197-V200 VanDerWaalsContact OG-CG2 3.3Å; S197-V200 WeakPolarHBondContact OG-CG2 3.42Å; S197-V200 PolarHBondContact OG-N 3.31Å; S197-V200 VanDerWaalsContact OG-N 3.13Å; S197-A201 WeakPolarHBondContact O-CB 3.37Å; S197-A201 PolarHBondContact O-N 3.29Å
198D97.3Very high98.2Very high100 Ų10042.3 Ų42.354%0.53524%0.242SC..Hα-helixtrans-55.9-45.1168.7-73.5-13000111.5R193 V200 A201 E202R193-D198 WeakPolarHBondContact CD-OD1 3.17Å; R193-D198 WeakPolarHBondContact CG-OD1 3.33Å; D198-V200 PolarHBondContact O-N 2.91Å; D198-A201 PolarHBondContact O-N 2.89Å; D198-E202 WeakPolarHBondContact O-CG 3.49Å; D198-E202 PolarHBondContact O-N 3.2Å
199D96.9Very high98Very high134 Ų13442.4 Ų42.472%0.71724%0.242SC*.Hα-helixtrans-60.5-46.4-178.2-72.7-19000111.7S197 E202 S203S197-D199 VanDerWaalsContact C-N 3.31Å; S197-D199 PolarHBondContact O-N 3.34Å; D199-E202 PolarHBondContact O-N 3.43Å; D199-S203 WeakPolarHBondContact O-CB 3.47Å; D199-S203 PolarHBondContact O-N 2.87Å; D199-S203 PolarHBondContact O-OG 2.84Å; D199-S203 VanDerWaalsContact O-OG 3.06Å
200V97.6Very high97.5Very high16 Ų1642.4 Ų42.410%0.09724%0.243CC..Hα-helixtrans-63.6-43.9176.4170.40000110.9W157 F192 V196 S197 D198 E202 S203 L204W157-V200 HydrophobicContact CB-CG1 4Å; W157-V200 HydrophobicContact CB-CG2 3.91Å; W157-V200 HydrophobicContact CD2-CG1 3.72Å; W157-V200 HydrophobicContact CE3-CG1 4.21Å; W157-V200 HydrophobicContact CG-CB 4.38Å; W157-V200 HydrophobicContact CG-CG1 3.61Å; W157-V200 HydrophobicContact CG-CG2 3.78Å; F192-V200 HydrophobicContact CD1-CG1 4.11Å; V196-V200 HydrophobicContact CB-CB 4.44Å; V196-V200 HydrophobicContact CB-CG1 4.38Å; V196-V200 HydrophobicContact CG1-CB 3.92Å; V196-V200 HydrophobicContact CG1-CG1 3.95Å; V196-V200 HydrophobicContact CG1-CG2 3.78Å; S197-V200 PolarHBondContact O-N 3.27Å; S197-V200 WeakPolarHBondContact OG-CB 3.39Å; S197-V200 VanDerWaalsContact OG-CG2 3.3Å; S197-V200 WeakPolarHBondContact OG-CG2 3.42Å; S197-V200 PolarHBondContact OG-N 3.31Å; S197-V200 VanDerWaalsContact OG-N 3.13Å; D198-V200 PolarHBondContact O-N 2.91Å; V200-E202 VanDerWaalsContact C-N 3.28Å; V200-E202 PolarHBondContact O-N 3.4Å; V200-S203 PolarHBondContact O-N 2.82Å; V200-L204 HydrophobicContact CG1-CB 4.4Å; V200-L204 WeakPolarHBondContact O-CB 3.49Å; V200-L204 PolarHBondContact O-N 2.88Å
201A98.1Very high97.2Very high0 Ų041.4 Ų41.40%023%0.234CC..Hα-helixtrans-61.2-37.1179.300000112.4R189 F192 R193 S197 D198R189-A201 WeakPolarHBondContact CD-O 3.45Å; R189-A201 HydrophobicContact CG-CB 4.16Å; R189-A201 WeakPolarHBondContact CG-O 3.3Å; R189-A201 PolarHBondContact NH1-O 2.93Å; F192-A201 HydrophobicContact CB-CB 3.94Å; R193-A201 HydrophobicContact CB-CB 3.81Å; R193-A201 HydrophobicContact CG-CB 4.37Å; S197-A201 WeakPolarHBondContact O-CB 3.37Å; S197-A201 PolarHBondContact O-N 3.29Å; D198-A201 PolarHBondContact O-N 2.89Å
202E97.1Very high97.1Very high78 Ų7840.6 Ų40.636%0.36423%0.231SC..Hα-helixtrans-78.3-31.8179.7-69-54.5140.600113.3R4 R193 D198 D199 V200R4-E202 VanDerWaalsContact CD-O 3.22Å; R4-E202 WeakPolarHBondContact CD-O 3.47Å; R4-E202 WeakPolarHBondContact CG-O 3.36Å; R4-E202 PolarHBondContact NH1-O 3.18Å; R4-E202 IonicContact NH1-OE2 3.65Å; R193-E202 IonicContact CZ-OE1 2.76Å; R193-E202 IonicContact NH2-OE1 3.8Å; R193-E202 PolarHBondContact NH2-OE1 2.75Å; D198-E202 WeakPolarHBondContact O-CG 3.49Å; D198-E202 PolarHBondContact O-N 3.2Å; D199-E202 PolarHBondContact O-N 3.43Å; V200-E202 VanDerWaalsContact C-N 3.28Å; V200-E202 PolarHBondContact O-N 3.4Å
203S97.6Very high97Very high72 Ų7242.7 Ų42.750%0.50325%0.245SC..Hα-helixtrans-94.1-27.2-177.269.80000114.9D199 V200 R205D199-S203 WeakPolarHBondContact O-CB 3.47Å; D199-S203 PolarHBondContact O-N 2.87Å; D199-S203 PolarHBondContact O-OG 2.84Å; D199-S203 VanDerWaalsContact O-OG 3.06Å; V200-S203 PolarHBondContact O-N 2.82Å; S203-R205 PolarHBondContact O-N 3.32Å
204L98.4Very high96.9Very high2 Ų239 Ų391%0.0124%0.237CC..  trans-66.3129.8-176.7-178.164.1000110.5R4 W157 V160 L162 R189 F192 V200 I206R4-L204 WeakPolarHBondContact CD-O 3.43Å; W157-L204 HydrophobicContact CE3-CD1 3.86Å; W157-L204 HydrophobicContact CE3-CD2 3.99Å; W157-L204 HydrophobicContact CZ3-CD1 4.3Å; W157-L204 HydrophobicContact CZ3-CD2 3.93Å; V160-L204 HydrophobicContact CB-CD1 4.37Å; V160-L204 HydrophobicContact CG1-CD1 4.35Å; V160-L204 WeakPolarHBondContact O-CD1 3.38Å; L162-L204 HydrophobicContact CB-CD2 4.4Å; R189-L204 PolarHBondContact NH1-O 2.95Å; F192-L204 HydrophobicContact CD1-CD2 4.05Å; F192-L204 HydrophobicContact CD2-CD2 3.69Å; F192-L204 HydrophobicContact CE1-CD2 3.79Å; F192-L204 HydrophobicContact CE2-CD2 3.39Å; F192-L204 HydrophobicContact CG-CD2 4.02Å; F192-L204 HydrophobicContact CZ-CD2 3.44Å; F192-L204 VanDerWaalsContact CZ-CD2 3.44Å; V200-L204 HydrophobicContact CG1-CB 4.4Å; V200-L204 WeakPolarHBondContact O-CB 3.49Å; V200-L204 PolarHBondContact O-N 2.88Å; L204-I206 HydrophobicContact CG-CG1 4.49Å
205R98.8Very high96.8Very high27 Ų2740 Ų4010%0.10225%0.245CC..EExtended strand (participates in β ladder)trans-82.4121.4171.5-64.9150.6-64.1173.35.2108.7R4 R5 E38 V160 V161 L162 S203 D227R4-R205 HydrophobicContact CB-CG 4.37Å; R5-R205 WeakPolarHBondContact O-CD 3.48Å; E38-R205 IonicContact OE1-NH1 3.98Å; E38-R205 IonicContact OE2-CZ 2.72Å; E38-R205 IonicContact OE2-NH1 2.84Å; E38-R205 PolarHBondContact OE2-NH1 3.25Å; V160-R205 PolarHBondContact O-NH2 3.24Å; V161-R205 HydrophobicContact CG1-CB 4.31Å; V161-R205 HydrophobicContact CG2-CB 4.46Å; V161-R205 VanDerWaalsContact CG2-NH2 3.32Å; L162-R205 PolarHBondContact N-O 3.17Å; S203-R205 PolarHBondContact O-N 3.32Å; R205-D227 WeakPolarHBondContact CA-OD2 3.36Å; R205-D227 HydrophobicContact CB-CB 3.94Å; R205-D227 HydrophobicContact CG-CB 4.24Å
206I98.9Very high96.8Very high0 Ų036.5 Ų36.50%023%0.227CC..EExtended strand (participates in β ladder)trans-107.8110170.7-49.7176.5000107.2L162 H185 L188 R189 F192 L204 D227L162-I206 HydrophobicContact CD2-CG2 4.43Å; L162-I206 CarbonylContact O-C 3.55Å; L162-I206 WeakPolarHBondContact O-CA 3.46Å; H185-I206 PolarHBondContact CE1-O 3.34Å; H185-I206 WeakPolarHBondContact ND1-CG2 3.32Å; H185-I206 PolarHBondContact ND1-O 3.38Å; H185-I206 VanDerWaalsContact ND1-O 3.16Å; L188-I206 HydrophobicContact CB-CD1 3.93Å; L188-I206 HydrophobicContact CD1-CG2 4.18Å; R189-I206 HydrophobicContact CB-CD1 4.11Å; F192-I206 HydrophobicContact CD2-CD1 4.43Å; L204-I206 HydrophobicContact CG-CG1 4.49Å; I206-D227 PolarHBondContact N-OD2 3.48Å; I206-D227 PolarHBondContact O-N 3.15Å
207I98.9Very high96.8Very high0 Ų034 Ų340%021%0.211CC..EExtended strand (participates in β ladder)trans-103.3148.1-176.366.8175.8000111F7 I124 V161 L162 A163 Y164 G228 L230F7-I207 HydrophobicContact CB-CG2 4.05Å; F7-I207 HydrophobicContact CD1-CD1 3.82Å; F7-I207 HydrophobicContact CD1-CG2 4.07Å; F7-I207 HydrophobicContact CE1-CD1 3.99Å; F7-I207 HydrophobicContact CG-CG2 4.46Å; I124-I207 HydrophobicContact CG2-CD1 4.22Å; V161-I207 HydrophobicContact CG1-CB 4.39Å; V161-I207 HydrophobicContact CG1-CD1 3.64Å; V161-I207 HydrophobicContact CG1-CG1 3.8Å; V161-I207 HydrophobicContact CG1-CG2 3.79Å; L162-I207 PolarHBondContact O-N 2.78Å; A163-I207 CarbonylContact C-O 3.58Å; A163-I207 WeakPolarHBondContact CA-O 3.46Å; A163-I207 HydrophobicContact CB-CD1 4.02Å; A163-I207 HydrophobicContact CB-CG1 3.7Å; Y164-I207 PolarHBondContact N-O 2.96Å; I207-G228 WeakPolarHBondContact CA-O 3.46Å; I207-G228 WeakPolarHBondContact CB-O 3.35Å; I207-L230 HydrophobicContact CD1-CB 3.84Å; I207-L230 HydrophobicContact CG1-CB 4.45Å
208Y98.6Very high96.8Very high0 Ų038.4 Ų38.40%022%0.221CC..EExtended strand (participates in β ladder)trans-96.1132.7178.7172.1-100.2000111Y164 P166 T175 A176 A181 G210 V212 L220 G228 F229 L230Y164-Y208 HydrophobicContact CD1-CD2 4.2Å; Y164-Y208 HydrophobicContact CE1-CD2 4.43Å; P166-Y208 HydrophobicContact CG-CE2 3.93Å; T175-Y208 HydrophobicContact CG2-CE1 4.35Å; A176-Y208 HydrophobicContact CB-CE2 3.93Å; A176-Y208 WeakPolarHBondContact CB-OH 3.48Å; A176-Y208 PolarHBondContact N-OH 2.87Å; A176-Y208 VanDerWaalsContact N-OH 3.16Å; A181-Y208 HydrophobicContact CB-CD2 3.86Å; A181-Y208 HydrophobicContact CB-CE2 4.18Å; A181-Y208 HydrophobicContact CB-CG 4.36Å; Y208-G210 WeakPolarHBondContact CE1-O 3.23Å; Y208-G210 PolarHBondContact OH-O 3.17Å; Y208-V212 HydrophobicContact CD1-CG2 3.62Å; Y208-V212 HydrophobicContact CE1-CG2 3.74Å; Y208-L220 HydrophobicContact CD1-CD1 4.02Å; Y208-L220 HydrophobicContact CD1-CD2 4.21Å; Y208-L220 HydrophobicContact CE1-CD1 3.95Å; Y208-L220 HydrophobicContact CE1-CD2 4.25Å; Y208-G228 PolarHBondContact N-O 3.16Å; Y208-F229 HydrophobicContact CD1-CD1 4.38Å; Y208-F229 CarbonylContact O-C 3.58Å; Y208-F229 VanDerWaalsContact O-CA 3.22Å; Y208-F229 WeakPolarHBondContact O-CA 3.48Å; Y208-L230 PolarHBondContact O-N 3.41Å
209G94.1Very high96.8Very high1 Ų139.1 Ų39.11%0.0122%0.222CC..  trans-129.7105172.900000112.7Y164 E165 L230Y164-G209 PolarHBondContact O-N 3.12Å; E165-G209 WeakPolarHBondContact CA-O 3.27Å; E165-G209 VanDerWaalsContact CB-O 3.23Å; E165-G209 WeakPolarHBondContact CB-O 3.23Å; G209-L230 VanDerWaalsContact CA-O 3.29Å; G209-L230 WeakPolarHBondContact CA-O 3.25Å
210G88.8Confident96.8Very high4 Ų432.9 Ų32.94%0.04119%0.188CC..SBendtrans178.698.917800000111.7A169 T175 Y208 V212A169-G210 CarbonylContact O-C 3.4Å; T175-G210 WeakPolarHBondContact CG2-O 3.17Å; Y208-G210 WeakPolarHBondContact CE1-O 3.23Å; Y208-G210 PolarHBondContact OH-O 3.17Å; G210-V212 PolarHBondContact O-N 3.32Å
211S92.2Very high96.8Very high28 Ų2832.3 Ų32.320%0.19619%0.185CC..SBendtrans52.136.3179.9-62.50000114.6A169 G173 K174 T175 N216A169-S211 WeakPolarHBondContact O-CB 3.31Å; A169-S211 PolarHBondContact O-N 3.02Å; A169-S211 VanDerWaalsContact O-N 3.16Å; A169-S211 PolarHBondContact O-OG 3.43Å; G173-S211 PolarHBondContact N-OG 3.24Å; K174-S211 PolarHBondContact O-OG 3.47Å; T175-S211 WeakPolarHBondContact OG1-CB 3.3Å; T175-S211 PolarHBondContact OG1-O 3.3Å; S211-N216 PolarHBondContact O-ND2 2.62Å
212V96.2Very high96.8Very high8 Ų836.4 Ų36.45%0.04821%0.214CC..  trans-66.1135171.9-175.80000109.9Y208 G210 C217 L220 F229 V231 A234 I243Y208-V212 HydrophobicContact CD1-CG2 3.62Å; Y208-V212 HydrophobicContact CE1-CG2 3.74Å; G210-V212 PolarHBondContact O-N 3.32Å; V212-C217 HydrophobicContact CG1-CB 4.19Å; V212-L220 HydrophobicContact CG2-CD1 4.4Å; V212-F229 HydrophobicContact CG1-CB 4.36Å; V212-F229 HydrophobicContact CG1-CD1 4.02Å; V212-F229 HydrophobicContact CG1-CD2 4.22Å; V212-F229 HydrophobicContact CG1-CE1 4.42Å; V212-F229 HydrophobicContact CG1-CG 3.92Å; V212-F229 HydrophobicContact CG2-CB 4.39Å; V212-F229 HydrophobicContact CG2-CD1 3.8Å; V212-F229 HydrophobicContact CG2-CE1 4.47Å; V212-F229 HydrophobicContact CG2-CG 4.26Å; V212-V231 HydrophobicContact CB-CG2 4.35Å; V212-V231 HydrophobicContact CG1-CG2 4.31Å; V212-A234 WeakPolarHBondContact O-CB 3.35Å; V212-I243 HydrophobicContact CG1-CD1 4.21Å; V212-I243 HydrophobicContact CG1-CG1 4.39Å; V212-I243 HydrophobicContact CG1-CG2 3.93Å
213T96.8Very high96.8Very high46 Ų4634.4 Ų34.428%0.28220%0.204SC..  trans-140166.8-180620000109.9A215 N216 C217T213-A215 PolarHBondContact O-N 3.29Å; T213-A215 PolarHBondContact OG1-N 3.2Å; T213-N216 PolarHBondContact N-OD1 2.92Å; T213-N216 PolarHBondContact O-N 2.99Å; T213-N216 PolarHBondContact O-OD1 3.4Å; T213-N216 PolarHBondContact OG1-ND2 3.44Å; T213-N216 PolarHBondContact OG1-OD1 3.12Å; T213-C217 WeakPolarHBondContact O-CB 3.48Å; T213-C217 PolarHBondContact O-N 3.31Å; T213-C217 VanDerWaalsContact O-N 3.12Å
214G97.2Very high96.8Very high21 Ų2133.4 Ų33.422%0.21621%0.205CC..THydrogen-bonded Turntrans-58-30.3174.500000112.8C217 E239G214-C217 PolarHBondContact O-SG 2.82Å; G214-E239 PolarHBondContact N-OE2 2.89Å
215A96.3Very high96.8Very high104 Ų10434.6 Ų34.686%0.8621%0.212SC*.THydrogen-bonded Turntrans-74.6-29.6-177.500000114.7T213T213-A215 PolarHBondContact O-N 3.29Å; T213-A215 PolarHBondContact OG1-N 3.2Å
216N96.6Very high96.7Very high28 Ų2833.3 Ų33.315%0.1521%0.207CC..THydrogen-bonded Turntrans-109.1-12-175.866.414.6000114T175 S211 T213 R218 E219 L220T175-N216 WeakPolarHBondContact CG2-ND2 3.11Å; S211-N216 PolarHBondContact O-ND2 2.62Å; T213-N216 PolarHBondContact N-OD1 2.92Å; T213-N216 PolarHBondContact O-N 2.99Å; T213-N216 PolarHBondContact O-OD1 3.4Å; T213-N216 PolarHBondContact OG1-ND2 3.44Å; T213-N216 PolarHBondContact OG1-OD1 3.12Å; N216-R218 VanDerWaalsContact C-N 3.34Å; N216-R218 PolarHBondContact O-N 3.45Å; N216-E219 PolarHBondContact O-N 3.02Å; N216-L220 HydrophobicContact CB-CD1 4.49Å; N216-L220 PolarHBondContact O-N 3.34Å
217C97.9Very high96.7Very high0 Ų033.4 Ų33.40%021%0.207CC..Hα-helixtrans-60.3-38.3-172.364.90000113.7V212 T213 G214 E219 L220 A221 F229 I243 A246V212-C217 HydrophobicContact CG1-CB 4.19Å; T213-C217 WeakPolarHBondContact O-CB 3.48Å; T213-C217 PolarHBondContact O-N 3.31Å; T213-C217 VanDerWaalsContact O-N 3.12Å; G214-C217 PolarHBondContact O-SG 2.82Å; C217-E219 PolarHBondContact O-N 3.5Å; C217-L220 PolarHBondContact O-N 2.78Å; C217-A221 WeakPolarHBondContact O-CB 3.44Å; C217-A221 PolarHBondContact O-N 3.47Å; C217-F229 HydrophobicContact CB-CE2 3.9Å; C217-F229 HydrophobicContact CB-CZ 4.21Å; C217-F229 VanDerWaalsContact O-CZ 3.28Å; C217-F229 WeakPolarHBondContact O-CZ 3.44Å; C217-I243 HydrophobicContact CB-CB 4.4Å; C217-I243 HydrophobicContact CB-CG1 4.11Å; C217-I243 HydrophobicContact CB-CG2 4.18Å; C217-A246 HydrophobicContact CB-CB 4.03Å
218R98.2Very high96.7Very high137 Ų13733.4 Ų33.452%0.51721%0.207SC..Hα-helixtrans-68.4-35.8-177.3-63.5-169.3176.6-94.20.7113N216 S222 N245 A246 A248N216-R218 VanDerWaalsContact C-N 3.34Å; N216-R218 PolarHBondContact O-N 3.45Å; R218-S222 PolarHBondContact O-N 2.87Å; R218-S222 VanDerWaalsContact O-N 3.17Å; R218-N245 PolarHBondContact NH1-O 3.5Å; R218-N245 PolarHBondContact NH2-O 2.94Å; R218-A246 PolarHBondContact NH1-O 3.35Å; R218-A248 PolarHBondContact NH1-O 3.1Å
219E97.6Very high96.7Very high116 Ų11633.4 Ų33.454%0.54221%0.207SC..Hα-helixtrans-74.5-35.5178.8-158.8-175.2178.300111.8P178 N216 C217 S222P178-E219 HydrophobicContact CB-CG 4.36Å; P178-E219 HydrophobicContact CG-CB 4.1Å; P178-E219 HydrophobicContact CG-CG 3.58Å; N216-E219 PolarHBondContact O-N 3.02Å; C217-E219 PolarHBondContact O-N 3.5Å; E219-S222 PolarHBondContact O-OG 3.48Å
220L97.4Very high97Very high3 Ų333.5 Ų33.52%0.01621%0.208CC..Hα-helixtrans-68.4-42170.9-71.8161.5000111.5T175 P178 A181 Y208 V212 N216 C217 S222 Q223 V226 F229T175-L220 HydrophobicContact CG2-CD1 4.41Å; P178-L220 HydrophobicContact CB-CD2 4.47Å; A181-L220 HydrophobicContact CB-CD2 4.05Å; Y208-L220 HydrophobicContact CD1-CD1 4.02Å; Y208-L220 HydrophobicContact CD1-CD2 4.21Å; Y208-L220 HydrophobicContact CE1-CD1 3.95Å; Y208-L220 HydrophobicContact CE1-CD2 4.25Å; V212-L220 HydrophobicContact CG2-CD1 4.4Å; N216-L220 HydrophobicContact CB-CD1 4.49Å; N216-L220 PolarHBondContact O-N 3.34Å; C217-L220 PolarHBondContact O-N 2.78Å; L220-S222 PolarHBondContact O-N 3.36Å; L220-Q223 WeakPolarHBondContact O-CB 3.45Å; L220-Q223 WeakPolarHBondContact O-CG 3.36Å; L220-Q223 PolarHBondContact O-N 2.87Å; L220-V226 WeakPolarHBondContact O-CB 3.45Å; L220-F229 HydrophobicContact CB-CE1 3.65Å; L220-F229 HydrophobicContact CB-CZ 3.87Å; L220-F229 HydrophobicContact CD1-CE1 4.25Å
221A97.7Very high97.4Very high3 Ų333.3 Ų33.33%0.02521%0.206CC..Hα-helixtrans-70.6-16.3-17800000113.7F6 C217 Q223 F229 A246 R247F6-A221 HydrophobicContact CE2-CB 4.08Å; F6-A221 HydrophobicContact CZ-CB 3.75Å; C217-A221 WeakPolarHBondContact O-CB 3.44Å; C217-A221 PolarHBondContact O-N 3.47Å; A221-Q223 VanDerWaalsContact C-N 3.29Å; A221-F229 HydrophobicContact CB-CE2 4.25Å; A221-F229 HydrophobicContact CB-CZ 3.9Å; A221-A246 HydrophobicContact CB-CB 3.96Å; A221-R247 HydrophobicContact CB-CG 4.02Å; A221-R247 PolarHBondContact O-NE 3.04Å; A221-R247 PolarHBondContact O-NH2 2.75Å
222S97.1Very high97.6Very high86 Ų8633.1 Ų33.160%0.60121%0.208SC*.THydrogen-bonded Turntrans-79.6-11.7176.972.10000113.3R218 E219 L220R218-S222 PolarHBondContact O-N 2.87Å; R218-S222 VanDerWaalsContact O-N 3.17Å; E219-S222 PolarHBondContact O-OG 3.48Å; L220-S222 PolarHBondContact O-N 3.36Å
223Q98Very high97.6Very high36 Ų3635.2 Ų35.217%0.16823%0.231CC..SBendtrans-71.2142176.9-58.1-57-43.700111.2P178 Q182 L220 A221 D225 V226P178-Q223 HydrophobicContact CB-CG 3.9Å; P178-Q223 VanDerWaalsContact CB-NE2 3.3Å; Q182-Q223 HydrophobicContact CB-CB 4.04Å; Q182-Q223 HydrophobicContact CB-CG 4.08Å; Q182-Q223 HydrophobicContact CG-CB 4.45Å; L220-Q223 WeakPolarHBondContact O-CB 3.45Å; L220-Q223 WeakPolarHBondContact O-CG 3.36Å; L220-Q223 PolarHBondContact O-N 2.87Å; A221-Q223 VanDerWaalsContact C-N 3.29Å; Q223-D225 VanDerWaalsContact C-N 3.34Å; Q223-D225 PolarHBondContact O-N 2.9Å; Q223-V226 HydrophobicContact CB-CB 4.05Å; Q223-V226 HydrophobicContact CB-CG2 3.66Å; Q223-V226 HydrophobicContact CG-CG2 4.33Å
224G96.6Very high97.7Very high51 Ų5133.4 Ų33.453%0.52622%0.221SC..THydrogen-bonded Turntrans-66.8-29.6-168.600000115R4 Q182R4-G224 PolarHBondContact NH2-O 3.15Å; Q182-G224 VanDerWaalsContact OE1-N 3.14Å
225D98.4Very high97.7Very high27 Ų2732.4 Ų32.414%0.14421%0.21CC..THydrogen-bonded Turntrans-111.72.2-175.8-65.3-77.8000113.6Q182 H185 R189 Q223 D227Q182-D225 PolarHBondContact NE2-OD2 3.37Å; H185-D225 HydrophobicContact CB-CB 3.74Å; H185-D225 PolarHBondContact ND1-O 3.42Å; R189-D225 VanDerWaalsContact CD-OD1 3.24Å; R189-D225 WeakPolarHBondContact CD-OD1 3.14Å; R189-D225 IonicContact CZ-OD1 3.72Å; R189-D225 IonicContact NE-OD1 2.62Å; R189-D225 PolarHBondContact NE-OD1 3.46Å; R189-D225 PolarHBondContact NH2-O 3.18Å; R189-D225 IonicContact NH2-OD1 2.83Å; Q223-D225 VanDerWaalsContact C-N 3.34Å; Q223-D225 PolarHBondContact O-N 2.9Å; D225-D227 PolarHBondContact O-N 2.94Å
226V98.4Very high97.8Very high0 Ų030.1 Ų30.10%018%0.184CC..  trans-87.2106.6172.2179.70000108.9A181 L220 Q223 F229 R247A181-V226 HydrophobicContact CB-CG2 4.4Å; L220-V226 WeakPolarHBondContact O-CB 3.45Å; Q223-V226 HydrophobicContact CB-CB 4.05Å; Q223-V226 HydrophobicContact CB-CG2 3.66Å; Q223-V226 HydrophobicContact CG-CG2 4.33Å; V226-F229 HydrophobicContact CG1-CE1 4.18Å; V226-R247 PolarHBondContact O-NH2 3.26Å
227D98.7Very high97.9Very high2 Ų233.9 Ų33.91%0.01120%0.199CC..  trans-95.47.9-174.5-58.5-48.9000113.4R4 F6 F7 R189 R205 I206 D225R4-D227 WeakPolarHBondContact CD-OD2 3.39Å; R4-D227 IonicContact CZ-OD1 3.41Å; R4-D227 VanDerWaalsContact NE-CG 3.33Å; R4-D227 IonicContact NE-OD1 3.18Å; R4-D227 PolarHBondContact NE-OD1 2.87Å; R4-D227 IonicContact NE-OD2 3.59Å; R4-D227 PolarHBondContact NE-OD2 3.37Å; R4-D227 IonicContact NH2-OD1 3.57Å; F6-D227 WeakPolarHBondContact CA-O 3.16Å; F6-D227 VanDerWaalsContact CD2-C 3.48Å; F6-D227 WeakPolarHBondContact CD2-O 3.35Å; F7-D227 PolarHBondContact N-O 3.09Å; R189-D227 IonicContact CZ-OD2 2.55Å; R189-D227 IonicContact NH1-OD2 3.1Å; R189-D227 IonicContact NH2-OD1 2.64Å; R189-D227 IonicContact NH2-OD2 3.76Å; R189-D227 PolarHBondContact NH2-OD2 3.16Å; R205-D227 WeakPolarHBondContact CA-OD2 3.36Å; R205-D227 HydrophobicContact CB-CB 3.94Å; R205-D227 HydrophobicContact CG-CB 4.24Å; I206-D227 PolarHBondContact N-OD2 3.48Å; I206-D227 PolarHBondContact O-N 3.15Å; D225-D227 PolarHBondContact O-N 2.94Å
228G98.7Very high97.9Very high0 Ų038.1 Ų38.10%023%0.226CC..EExtended strand (participates in β ladder)trans144.4-157.6179.500000114F7 I207 Y208F7-G228 CarbonylContact O-C 3.59Å; F7-G228 WeakPolarHBondContact O-CA 3.28Å; I207-G228 WeakPolarHBondContact CA-O 3.46Å; I207-G228 WeakPolarHBondContact CB-O 3.35Å; Y208-G228 PolarHBondContact N-O 3.16Å
229F98.8Very high97.9Very high0 Ų034 Ų340%021%0.213CC..EExtended strand (participates in β ladder)trans-137.2146.2-168.4-54.4-58.9000114.7F6 F7 V8 G9 Y208 V212 C217 L220 A221 V226 V231 I243 A246F6-F229 HydrophobicContact CE1-CD2 4.27Å; F6-F229 HydrophobicContact CE1-CE2 4.07Å; F6-F229 HydrophobicContact CZ-CD2 4.02Å; F6-F229 AromaticContact CZ-CE2 3.56Å; F6-F229 HydrophobicContact CZ-CE2 3.56Å; F6-F229 HydrophobicContact CZ-CZ 4.11Å; F7-F229 PolarHBondContact O-N 3.36Å; V8-F229 WeakPolarHBondContact CA-O 3.45Å; V8-F229 HydrophobicContact CG2-CD2 4.24Å; G9-F229 PolarHBondContact N-O 3.11Å; Y208-F229 HydrophobicContact CD1-CD1 4.38Å; Y208-F229 CarbonylContact O-C 3.58Å; Y208-F229 VanDerWaalsContact O-CA 3.22Å; Y208-F229 WeakPolarHBondContact O-CA 3.48Å; V212-F229 HydrophobicContact CG1-CB 4.36Å; V212-F229 HydrophobicContact CG1-CD1 4.02Å; V212-F229 HydrophobicContact CG1-CD2 4.22Å; V212-F229 HydrophobicContact CG1-CE1 4.42Å; V212-F229 HydrophobicContact CG1-CG 3.92Å; V212-F229 HydrophobicContact CG2-CB 4.39Å; V212-F229 HydrophobicContact CG2-CD1 3.8Å; V212-F229 HydrophobicContact CG2-CE1 4.47Å; V212-F229 HydrophobicContact CG2-CG 4.26Å; C217-F229 HydrophobicContact CB-CE2 3.9Å; C217-F229 HydrophobicContact CB-CZ 4.21Å; C217-F229 VanDerWaalsContact O-CZ 3.28Å; C217-F229 WeakPolarHBondContact O-CZ 3.44Å; L220-F229 HydrophobicContact CB-CE1 3.65Å; L220-F229 HydrophobicContact CB-CZ 3.87Å; L220-F229 HydrophobicContact CD1-CE1 4.25Å; A221-F229 HydrophobicContact CB-CE2 4.25Å; A221-F229 HydrophobicContact CB-CZ 3.9Å; V226-F229 HydrophobicContact CG1-CE1 4.18Å; F229-V231 HydrophobicContact CB-CG2 3.68Å; F229-I243 HydrophobicContact CB-CG2 4.42Å; F229-I243 HydrophobicContact CD2-CG2 3.49Å; F229-I243 VanDerWaalsContact CD2-CG2 3.49Å; F229-I243 HydrophobicContact CE2-CG2 4.12Å; F229-I243 HydrophobicContact CG-CG2 4.22Å; F229-A246 HydrophobicContact CE2-CB 4Å
230L98.8Very high97.9Very high3 Ų328.5 Ų28.52%0.01619%0.187CC..EExtended strand (participates in β ladder)trans-109.3107.9158.5-171.357000109G9 N11 I92 I124 A163 I207 Y208 G209G9-L230 CarbonylContact O-C 3.6Å; N11-L230 HydrophobicContact CB-CD1 4.18Å; I92-L230 HydrophobicContact CD1-CD1 4.08Å; I124-L230 HydrophobicContact CG2-CD2 4.13Å; A163-L230 HydrophobicContact CB-CB 4.34Å; A163-L230 HydrophobicContact CB-CD2 3.82Å; I207-L230 HydrophobicContact CD1-CB 3.84Å; I207-L230 HydrophobicContact CG1-CB 4.45Å; Y208-L230 PolarHBondContact O-N 3.41Å; G209-L230 VanDerWaalsContact CA-O 3.29Å; G209-L230 WeakPolarHBondContact CA-O 3.25Å
231V98.4Very high98Very high1 Ų129.4 Ų29.41%0.00619%0.193CC..EExtended strand (participates in β ladder)trans-105119-166.4-172.70000110.4V8 G9 G10 N11 V212 F229 A234 S235 F240 I243V8-V231 HydrophobicContact CG1-CG2 4.25Å; G9-V231 PolarHBondContact O-N 3.12Å; G10-V231 CarbonylContact C-O 3.54Å; N11-V231 PolarHBondContact N-O 3.46Å; V212-V231 HydrophobicContact CB-CG2 4.35Å; V212-V231 HydrophobicContact CG1-CG2 4.31Å; F229-V231 HydrophobicContact CB-CG2 3.68Å; V231-A234 HydrophobicContact CG1-CB 3.66Å; V231-S235 WeakPolarHBondContact O-CB 3.35Å; V231-S235 PolarHBondContact O-OG 2.84Å; V231-F240 HydrophobicContact CB-CD2 4.18Å; V231-F240 HydrophobicContact CB-CE2 3.82Å; V231-F240 HydrophobicContact CG1-CD2 4.14Å; V231-F240 HydrophobicContact CG1-CE2 4.29Å; V231-F240 HydrophobicContact CG2-CD2 4.29Å; V231-F240 HydrophobicContact CG2-CE2 3.83Å; V231-I243 HydrophobicContact CG1-CD1 3.91Å; V231-I243 HydrophobicContact CG2-CD1 4.41Å; V231-I243 HydrophobicContact CG2-CG2 3.85Å
232G97.1Very high98Very high23 Ų2333.5 Ų33.524%0.23721%0.214CC..SBendtrans-80.3-110.2174.300000112.6A234 S235G232-A234 VanDerWaalsContact C-N 3.27Å; G232-A234 PolarHBondContact O-N 3.24Å; G232-A234 VanDerWaalsContact O-N 3.12Å; G232-S235 VanDerWaalsContact O-CB 3.3Å; G232-S235 WeakPolarHBondContact O-CB 3.42Å; G232-S235 PolarHBondContact O-N 3.04Å; G232-S235 PolarHBondContact O-OG 3.5Å
233G96.2Very high98.1Very high52 Ų5229.4 Ų29.454%0.53619%0.185SC..G310 helixtrans-59.5-27.7-170.600000116.1S235 L236G233-S235 VanDerWaalsContact C-N 3.25Å; G233-S235 PolarHBondContact O-N 3.37Å; G233-L236 PolarHBondContact O-N 3.12Å
234A97.4Very high98.1Very high8 Ų827.7 Ų27.77%0.06618%0.177CC..G310 helixtrans-71.3-20.1175.400000112.8V212 V231 G232 L236 K237 E239 I243V212-A234 WeakPolarHBondContact O-CB 3.35Å; V231-A234 HydrophobicContact CG1-CB 3.66Å; G232-A234 VanDerWaalsContact C-N 3.27Å; G232-A234 PolarHBondContact O-N 3.24Å; G232-A234 VanDerWaalsContact O-N 3.12Å; A234-L236 PolarHBondContact O-N 3.39Å; A234-K237 PolarHBondContact O-N 3.33Å; A234-K237 VanDerWaalsContact O-N 3.16Å; A234-E239 HydrophobicContact CB-CG 4.16Å; A234-I243 HydrophobicContact CB-CD1 3.82Å
235S98.5Very high98.2Very high0 Ų026.6 Ų26.60%016%0.16CC..G310 helixtrans-68.9-12.3175.671.20000114G10 N11 V231 G232 G233 K237G10-S235 VanDerWaalsContact CA-CB 3.5Å; N11-S235 PolarHBondContact O-OG 3.47Å; V231-S235 WeakPolarHBondContact O-CB 3.35Å; V231-S235 PolarHBondContact O-OG 2.84Å; G232-S235 VanDerWaalsContact O-CB 3.3Å; G232-S235 WeakPolarHBondContact O-CB 3.42Å; G232-S235 PolarHBondContact O-N 3.04Å; G232-S235 PolarHBondContact O-OG 3.5Å; G233-S235 VanDerWaalsContact C-N 3.25Å; G233-S235 PolarHBondContact O-N 3.37Å; S235-K237 VanDerWaalsContact C-N 3.35Å
236L98.3Very high98.2Very high57 Ų5725.6 Ų25.630%0.29816%0.155SC..G310 helixtrans-94.68.9176.8-59.9172000112.5W12 N15 L24 G233 A234W12-L236 HydrophobicContact CB-CD2 3.83Å; W12-L236 HydrophobicContact CG-CD2 3.79Å; N15-L236 HydrophobicContact CB-CD1 3.62Å; N15-L236 HydrophobicContact CB-CD2 4.34Å; L24-L236 HydrophobicContact CD2-CD2 4.24Å; G233-L236 PolarHBondContact O-N 3.12Å; A234-L236 PolarHBondContact O-N 3.39Å
237K97.9Very high98Very high106 Ų10630.5 Ų30.546%0.46117%0.174SC..SBendtrans-130.5159.4-171.9-63176.4-172.21740111A234 S235 E239 F240A234-K237 PolarHBondContact O-N 3.33Å; A234-K237 VanDerWaalsContact O-N 3.16Å; S235-K237 VanDerWaalsContact C-N 3.35Å; K237-E239 HydrophobicContact CB-CG 3.9Å; K237-E239 HydrophobicContact CD-CG 4.25Å; K237-E239 WeakPolarHBondContact CD-OE1 3.49Å; K237-E239 IonicContact NZ-OE1 3.23Å; K237-E239 PolarHBondContact NZ-OE1 3.48Å; K237-E239 PolarHBondContact O-N 3.09Å; K237-E239 VanDerWaalsContact O-N 3.16Å; K237-F240 WeakPolarHBondContact O-CB 3.31Å; K237-F240 PolarHBondContact O-N 3.22Å
238P97.6Very high97.5Very high89 Ų8935 Ų3558%0.57821%0.211SC*.THydrogen-bonded Turntrans-56.6-30.9176-2534000114.1I27 F240 V241I27-P238 HydrophobicContact CD1-CG 4.26Å; P238-F240 PolarHBondContact O-N 3.3Å; P238-V241 PolarHBondContact O-N 3.08Å; P238-V241 VanDerWaalsContact O-N 3.09Å
239E97.7Very high97.4Very high50 Ų5036.8 Ų36.823%0.23422%0.222CC..THydrogen-bonded Turntrans-60.5-12.2177.667.3176.7161.900113.7G214 A234 K237 V241 D242 I243G214-E239 PolarHBondContact N-OE2 2.89Å; A234-E239 HydrophobicContact CB-CG 4.16Å; K237-E239 HydrophobicContact CB-CG 3.9Å; K237-E239 HydrophobicContact CD-CG 4.25Å; K237-E239 WeakPolarHBondContact CD-OE1 3.49Å; K237-E239 IonicContact NZ-OE1 3.23Å; K237-E239 PolarHBondContact NZ-OE1 3.48Å; K237-E239 PolarHBondContact O-N 3.09Å; K237-E239 VanDerWaalsContact O-N 3.16Å; E239-V241 PolarHBondContact O-N 3.35Å; E239-D242 WeakPolarHBondContact O-CB 3.2Å; E239-D242 PolarHBondContact O-N 3.4Å; E239-D242 VanDerWaalsContact O-N 3.12Å; E239-I243 WeakPolarHBondContact O-CG1 3.33Å; E239-I243 PolarHBondContact O-N 3.06Å
240F98.6Very high97.3Very high1 Ų138.7 Ų38.70%0.00423%0.234CC..Hα-helixtrans-61.2-31.3172.8-168.5-135.3000112.6V8 L28 V231 K237 P238 D242 I243 I244V8-F240 HydrophobicContact CG1-CD2 4.47Å; V8-F240 HydrophobicContact CG1-CE2 3.5Å; V8-F240 VanDerWaalsContact CG1-CE2 3.5Å; V8-F240 HydrophobicContact CG1-CZ 3.82Å; L28-F240 HydrophobicContact CD2-CD1 3.88Å; L28-F240 HydrophobicContact CD2-CE1 4.41Å; V231-F240 HydrophobicContact CB-CD2 4.18Å; V231-F240 HydrophobicContact CB-CE2 3.82Å; V231-F240 HydrophobicContact CG1-CD2 4.14Å; V231-F240 HydrophobicContact CG1-CE2 4.29Å; V231-F240 HydrophobicContact CG2-CD2 4.29Å; V231-F240 HydrophobicContact CG2-CE2 3.83Å; K237-F240 WeakPolarHBondContact O-CB 3.31Å; K237-F240 PolarHBondContact O-N 3.22Å; P238-F240 PolarHBondContact O-N 3.3Å; F240-D242 VanDerWaalsContact C-N 3.33Å; F240-D242 PolarHBondContact O-N 2.92Å; F240-I243 HydrophobicContact CD2-CB 4.44Å; F240-I243 HydrophobicContact CD2-CD1 4.43Å; F240-I243 PolarHBondContact O-N 3.27Å; F240-I244 HydrophobicContact CD1-CD1 4Å; F240-I244 HydrophobicContact CE1-CD1 3.91Å; F240-I244 HydrophobicContact CE1-CG1 4.44Å; F240-I244 HydrophobicContact CG-CD1 4.45Å; F240-I244 HydrophobicContact CZ-CD1 4.31Å; F240-I244 HydrophobicContact CZ-CG1 4.36Å; F240-I244 WeakPolarHBondContact O-CG1 3.31Å; F240-I244 PolarHBondContact O-N 3.06Å
241V98.6Very high97.3Very high22 Ų2240.7 Ų40.713%0.13325%0.246CC..Hα-helixtrans-63.4-40.2173.7176.30000111I27 L28 A31 L33 P238 E239 I243 I244 N245I27-V241 HydrophobicContact CG2-CG2 4.17Å; L28-V241 HydrophobicContact CD2-CG2 4.28Å; A31-V241 HydrophobicContact CB-CB 4.47Å; A31-V241 HydrophobicContact CB-CG1 3.84Å; A31-V241 HydrophobicContact CB-CG2 3.71Å; L33-V241 HydrophobicContact CD2-CG1 4.2Å; P238-V241 PolarHBondContact O-N 3.08Å; P238-V241 VanDerWaalsContact O-N 3.09Å; E239-V241 PolarHBondContact O-N 3.35Å; V241-I243 VanDerWaalsContact C-N 3.26Å; V241-I243 PolarHBondContact O-N 3.46Å; V241-I244 PolarHBondContact O-N 3.16Å; V241-N245 WeakPolarHBondContact O-CB 3.45Å; V241-N245 PolarHBondContact O-N 3.1Å; V241-N245 PolarHBondContact O-ND2 3.32Å
242D98.4Very high97.2Very high89 Ų8943 Ų4348%0.47626%0.26SS..Hα-helixtrans-64.1-35.6176.6-58.2-46.4000111.4E239 F240 N245 A246E239-D242 WeakPolarHBondContact O-CB 3.2Å; E239-D242 PolarHBondContact O-N 3.4Å; E239-D242 VanDerWaalsContact O-N 3.12Å; F240-D242 VanDerWaalsContact C-N 3.33Å; F240-D242 PolarHBondContact O-N 2.92Å; D242-N245 CarbonylContact O-C 3.38Å; D242-N245 PolarHBondContact O-N 3.26Å; D242-A246 PolarHBondContact O-N 3.37Å
243I98.7Very high97.2Very high0 Ų044.3 Ų44.30%026%0.261CS..Hα-helixtrans-71-40.6177.5-60.2165.6000111.4V8 V212 C217 F229 V231 A234 E239 F240 V241 N245 A246V8-I243 HydrophobicContact CG1-CG2 4.14Å; V212-I243 HydrophobicContact CG1-CD1 4.21Å; V212-I243 HydrophobicContact CG1-CG1 4.39Å; V212-I243 HydrophobicContact CG1-CG2 3.93Å; C217-I243 HydrophobicContact CB-CB 4.4Å; C217-I243 HydrophobicContact CB-CG1 4.11Å; C217-I243 HydrophobicContact CB-CG2 4.18Å; F229-I243 HydrophobicContact CB-CG2 4.42Å; F229-I243 HydrophobicContact CD2-CG2 3.49Å; F229-I243 VanDerWaalsContact CD2-CG2 3.49Å; F229-I243 HydrophobicContact CE2-CG2 4.12Å; F229-I243 HydrophobicContact CG-CG2 4.22Å; V231-I243 HydrophobicContact CG1-CD1 3.91Å; V231-I243 HydrophobicContact CG2-CD1 4.41Å; V231-I243 HydrophobicContact CG2-CG2 3.85Å; A234-I243 HydrophobicContact CB-CD1 3.82Å; E239-I243 WeakPolarHBondContact O-CG1 3.33Å; E239-I243 PolarHBondContact O-N 3.06Å; F240-I243 HydrophobicContact CD2-CB 4.44Å; F240-I243 HydrophobicContact CD2-CD1 4.43Å; F240-I243 PolarHBondContact O-N 3.27Å; V241-I243 VanDerWaalsContact C-N 3.26Å; V241-I243 PolarHBondContact O-N 3.46Å; I243-N245 PolarHBondContact O-N 3Å; I243-A246 VanDerWaalsContact O-CB 3.27Å; I243-A246 WeakPolarHBondContact O-CB 3.39Å; I243-A246 PolarHBondContact O-N 3.23Å
244I98.8Very high97.3Very high0 Ų043.7 Ų43.70%024%0.243CC..Hα-helixtrans-58.5-39.7172.8-69.4163.5000110.3V8 L28 L33 T37 V39 F240 V241 A246V8-I244 HydrophobicContact CB-CG1 4.23Å; V8-I244 HydrophobicContact CG1-CG1 3.95Å; L28-I244 HydrophobicContact CD2-CD1 4.08Å; L33-I244 HydrophobicContact CB-CG2 4.18Å; L33-I244 HydrophobicContact CD2-CD1 4.09Å; L33-I244 HydrophobicContact CD2-CG2 4.08Å; T37-I244 HydrophobicContact CG2-CG2 4.02Å; T37-I244 PolarHBondContact OG1-O 3.21Å; V39-I244 HydrophobicContact CG1-CD1 3.73Å; V39-I244 HydrophobicContact CG1-CG1 4.18Å; V39-I244 HydrophobicContact CG2-CB 4.49Å; V39-I244 HydrophobicContact CG2-CD1 4.1Å; V39-I244 HydrophobicContact CG2-CG1 4.06Å; V39-I244 HydrophobicContact CG2-CG2 3.62Å; F240-I244 HydrophobicContact CD1-CD1 4Å; F240-I244 HydrophobicContact CE1-CD1 3.91Å; F240-I244 HydrophobicContact CE1-CG1 4.44Å; F240-I244 HydrophobicContact CG-CD1 4.45Å; F240-I244 HydrophobicContact CZ-CD1 4.31Å; F240-I244 HydrophobicContact CZ-CG1 4.36Å; F240-I244 WeakPolarHBondContact O-CG1 3.31Å; F240-I244 PolarHBondContact O-N 3.06Å; V241-I244 PolarHBondContact O-N 3.16Å; I244-A246 VanDerWaalsContact C-N 3.31Å; I244-A246 PolarHBondContact O-N 3.26Å
245N98.6Very high97.3Very high28 Ų2846.3 Ų46.315%0.1526%0.256CS..THydrogen-bonded Turntrans-91.322.8-178.6-65.9-21.8000113.5S32 D34 R218 V241 D242 I243 R247 A248S32-N245 PolarHBondContact O-ND2 3.17Å; D34-N245 PolarHBondContact N-OD1 3.16Å; R218-N245 PolarHBondContact NH1-O 3.5Å; R218-N245 PolarHBondContact NH2-O 2.94Å; V241-N245 WeakPolarHBondContact O-CB 3.45Å; V241-N245 PolarHBondContact O-N 3.1Å; V241-N245 PolarHBondContact O-ND2 3.32Å; D242-N245 CarbonylContact O-C 3.38Å; D242-N245 PolarHBondContact O-N 3.26Å; I243-N245 PolarHBondContact O-N 3Å; N245-R247 PolarHBondContact O-N 3.17Å; N245-A248 HydrophobicContact CB-CB 3.98Å; N245-A248 PolarHBondContact O-N 2.76Å; N245-A248 VanDerWaalsContact O-N 3.15Å
246A98.1Very high97.2Very high7 Ų749.8 Ų49.86%0.05828%0.275CS..THydrogen-bonded Turntrans-62.4-26-175.900000113.5F6 C217 R218 A221 F229 D242 I243 I244F6-A246 HydrophobicContact CE1-CB 4.2Å; F6-A246 HydrophobicContact CZ-CB 4.35Å; C217-A246 HydrophobicContact CB-CB 4.03Å; R218-A246 PolarHBondContact NH1-O 3.35Å; A221-A246 HydrophobicContact CB-CB 3.96Å; F229-A246 HydrophobicContact CE2-CB 4Å; D242-A246 PolarHBondContact O-N 3.37Å; I243-A246 VanDerWaalsContact O-CB 3.27Å; I243-A246 WeakPolarHBondContact O-CB 3.39Å; I243-A246 PolarHBondContact O-N 3.23Å; I244-A246 VanDerWaalsContact C-N 3.31Å; I244-A246 PolarHBondContact O-N 3.26Å
247R95.3Very high97.1Very high102 Ų10249.3 Ų49.339%0.38527%0.273SS..THydrogen-bonded Turntrans-105.3-1.8177.1-70.3-167.6168.3167.62114.7F6 A221 V226 N245F6-R247 HydrophobicContact CD2-CG 4.24Å; F6-R247 HydrophobicContact CE1-CG 4.41Å; F6-R247 HydrophobicContact CE2-CG 4.11Å; F6-R247 HydrophobicContact CG-CG 4.42Å; F6-R247 HydrophobicContact CZ-CG 4.2Å; A221-R247 HydrophobicContact CB-CG 4.02Å; A221-R247 PolarHBondContact O-NE 3.04Å; A221-R247 PolarHBondContact O-NH2 2.75Å; V226-R247 PolarHBondContact O-NH2 3.26Å; N245-R247 PolarHBondContact O-N 3.17Å
248A86.8Confident97Very high97 Ų9744.1 Ų44.180%0.80226%0.256SS*.  trans-71.90173.100000111.9D34 R218 N245D34-A248 HydrophobicContact CB-CB 4.16Å; R218-A248 PolarHBondContact NH1-O 3.1Å; N245-A248 HydrophobicContact CB-CB 3.98Å; N245-A248 PolarHBondContact O-N 2.76Å; N245-A248 VanDerWaalsContact O-N 3.15Å

Retrieved 248 of 248 residues in 634.6 ms (Link to these results)

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