A0A5K4EZQ1_SCHMA Loading...

NOL1/NOP2/Sun domain family member 4

AlphaFold DB , UniProt , Accession A0A5K4EZQ1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 458 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
1M69.8Low84.3Confident47 Ų4756.9 Ų56.923%0.23229%0.294CS..  0-49.90-171.5176.567.600113.4I3 A4 L5 L86 F125 F127 L358M1-I3 VanDerWaalsContact C-N 3.33Å; M1-I3 PolarHBondContact O-N 3.26Å; M1-A4 WeakPolarHBondContact O-CB 3.34Å; M1-A4 PolarHBondContact O-N 2.87Å; M1-L5 PolarHBondContact O-N 3.26Å; M1-L5 VanDerWaalsContact O-N 3.09Å; M1-L86 HydrophobicContact CE-CD1 3.69Å; M1-L86 HydrophobicContact CE-CD2 3.87Å; M1-L86 HydrophobicContact CE-CG 4.4Å; M1-L86 HydrophobicContact SD-CD1 4.32Å; M1-F125 HydrophobicContact CE-CB 4.4Å; M1-F125 HydrophobicContact CE-CG 4.41Å; M1-F127 HydrophobicContact SD-CE2 4.09Å; M1-F127 HydrophobicContact SD-CZ 3.79Å; M1-L358 HydrophobicContact CE-CD1 3.74Å; M1-L358 HydrophobicContact CG-CD1 4.29Å; M1-L358 HydrophobicContact SD-CD1 3.5Å; M1-L358 WeakPolarHBondContact SD-CD1 3.11Å; M1-L358 HydrophobicContact SD-CD2 4.13Å; M1-L358 HydrophobicContact SD-CG 4.43Å
2R75.7Confident85.1Confident73 Ų7352.2 Ų52.228%0.27527%0.269SS..Hα-helixtrans-52-47177.3-70.7179.3174-176.7-3.2113.2A4 L5 L6 C121 D122 F125R2-A4 VanDerWaalsContact C-N 3.32Å; R2-A4 PolarHBondContact O-N 3.48Å; R2-L5 WeakPolarHBondContact O-CB 3.3Å; R2-L5 PolarHBondContact O-N 2.76Å; R2-L6 PolarHBondContact O-N 3.26Å; R2-C121 VanDerWaalsContact CZ-O 3.23Å; R2-C121 PolarHBondContact NH1-O 3.41Å; R2-C121 PolarHBondContact NH1-SG 2.68Å; R2-C121 VanDerWaalsContact NH1-SG 3.38Å; R2-D122 IonicContact NH1-OD1 3.42Å; R2-D122 PolarHBondContact NH1-OD1 2.8Å; R2-F125 HydrophobicContact CG-CE2 3.92Å; R2-F125 VanDerWaalsContact NE-CE2 3.33Å
3I82.7Confident85.9Confident66 Ų6648.5 Ų48.534%0.33825%0.25SS..Hα-helixtrans-54.2-47.1174.4-61.3174.5000111.2M1 L5 L6 M7 I442M1-I3 VanDerWaalsContact C-N 3.33Å; M1-I3 PolarHBondContact O-N 3.26Å; I3-L5 VanDerWaalsContact C-N 3.31Å; I3-L5 PolarHBondContact O-N 3.01Å; I3-L6 PolarHBondContact O-N 2.85Å; I3-L6 VanDerWaalsContact O-N 3.15Å; I3-M7 HydrophobicContact CG2-CG 4.34Å; I3-M7 HydrophobicContact CG2-SD 4.05Å; I3-M7 VanDerWaalsContact O-CG 3.31Å; I3-M7 WeakPolarHBondContact O-CG 3.25Å; I3-M7 PolarHBondContact O-N 3.11Å; I3-I442 HydrophobicContact CG2-CD1 4.08Å; I3-I442 HydrophobicContact CG2-CG1 4.38Å
4A85.9Confident86.6Confident2 Ų245.1 Ų45.12%0.01723%0.232CC..Hα-helixtrans-63.7-34.3178.700000112.8M1 R2 R308 P440 I442 N445M1-A4 WeakPolarHBondContact O-CB 3.34Å; M1-A4 PolarHBondContact O-N 2.87Å; R2-A4 VanDerWaalsContact C-N 3.32Å; R2-A4 PolarHBondContact O-N 3.48Å; A4-R308 PolarHBondContact O-NH1 3.29Å; A4-P440 HydrophobicContact CB-CB 3.78Å; A4-I442 HydrophobicContact CB-CG1 4.36Å; A4-N445 VanDerWaalsContact O-CG 3.26Å; A4-N445 PolarHBondContact O-ND2 2.85Å; A4-N445 PolarHBondContact O-OD1 3.26Å
5L86.2Confident87.1Confident7 Ų744.7 Ų44.74%0.03723%0.227CC..Hα-helixtrans-67.5-36.4174.1-77.2170.4000112.8M1 R2 I3 R308 I311 L358 P440 P448M1-L5 PolarHBondContact O-N 3.26Å; M1-L5 VanDerWaalsContact O-N 3.09Å; R2-L5 WeakPolarHBondContact O-CB 3.3Å; R2-L5 PolarHBondContact O-N 2.76Å; I3-L5 VanDerWaalsContact C-N 3.31Å; I3-L5 PolarHBondContact O-N 3.01Å; L5-R308 HydrophobicContact CD2-CB 4.06Å; L5-R308 PolarHBondContact O-NH1 3.19Å; L5-I311 HydrophobicContact CB-CD1 3.91Å; L5-I311 HydrophobicContact CD1-CD1 4.22Å; L5-L358 HydrophobicContact CD1-CD1 3.87Å; L5-P440 HydrophobicContact CD2-CB 4.48Å; L5-P440 HydrophobicContact CD2-CG 3.77Å; L5-P440 HydrophobicContact CG-CG 4.27Å; L5-P448 HydrophobicContact CD2-CG 4.33Å
6L85.8Confident87.5Confident88 Ų8841.9 Ų41.946%0.46121%0.213SC..Hα-helixtrans-74.5-29.6177.2-71.1164.6000112.8R2 I3 I311R2-L6 PolarHBondContact O-N 3.26Å; I3-L6 PolarHBondContact O-N 2.85Å; I3-L6 VanDerWaalsContact O-N 3.15Å; L6-I311 HydrophobicContact CD2-CG2 3.42Å; L6-I311 VanDerWaalsContact CD2-CG2 3.42Å; L6-I311 HydrophobicContact CG-CG2 4.33Å
7M85.1Confident87.6Confident68 Ų6843.1 Ų43.134%0.33521%0.214SC..SBendtrans-70.3148.1175.8-71.7178.179.500111.8I3 R308 I442 N445I3-M7 HydrophobicContact CG2-CG 4.34Å; I3-M7 HydrophobicContact CG2-SD 4.05Å; I3-M7 VanDerWaalsContact O-CG 3.31Å; I3-M7 WeakPolarHBondContact O-CG 3.25Å; I3-M7 PolarHBondContact O-N 3.11Å; M7-R308 PolarHBondContact O-NH1 3.09Å; M7-I442 HydrophobicContact CE-CG2 4.34Å; M7-I442 HydrophobicContact SD-CG1 4.23Å; M7-I442 HydrophobicContact SD-CG2 4.07Å; M7-N445 PolarHBondContact O-ND2 3.08Å; M7-N445 VanDerWaalsContact O-ND2 3.14Å
8P85Confident87.6Confident106 Ų10642.8 Ų42.869%0.68821%0.211SC*.PPolyproline II helixtrans-51.9135.6171.9-26.434.5000111.5N445P8-N445 PolarHBondContact O-ND2 3.44Å
9P89.2Confident87.6Confident52 Ų5241.7 Ų41.734%0.33821%0.205SC..PPolyproline II helixtrans-66.1144.9179.126.4-32.9000110.8N445P9-N445 WeakPolarHBondContact CA-O 3.02Å
10K90.7Very high86.9Confident11 Ų1141.7 Ų41.75%0.04821%0.208CC..PPolyproline II helixtrans-71.7142.5171.1-165173.8-178.2178.30108.9S167 P168 N445 Y446K10-S167 WeakPolarHBondContact CE-O 3.3Å; K10-S167 WeakPolarHBondContact CE-OG 3.04Å; K10-S167 PolarHBondContact NZ-O 2.75Å; K10-S167 PolarHBondContact NZ-OG 3.01Å; K10-P168 PolarHBondContact NZ-O 2.73Å; K10-N445 HydrophobicContact CB-CB 4.22Å; K10-N445 PolarHBondContact N-O 2.9Å; K10-Y446 HydrophobicContact CB-CD1 4.26Å; K10-Y446 HydrophobicContact CB-CE1 3.92Å; K10-Y446 HydrophobicContact CB-CE2 4.43Å; K10-Y446 HydrophobicContact CD-CE2 3.87Å; K10-Y446 HydrophobicContact CG-CE1 4.1Å; K10-Y446 HydrophobicContact CG-CE2 4.27Å; K10-Y446 VanDerWaalsContact O-CD1 3.31Å; K10-Y446 WeakPolarHBondContact O-CD1 3.43Å; K10-Y446 WeakPolarHBondContact O-CE1 3.45Å
11K91.7Very high85.8Confident106 Ų10645.4 Ų45.446%0.46123%0.229SC..  trans-117.9145.1179.6-70179.5173.5-167.60110.5I175 T189K11-I175 HydrophobicContact CB-CD1 3.5Å; K11-I175 VanDerWaalsContact CB-CD1 3.5Å; K11-T189 HydrophobicContact CD-CG2 4.47Å
12A93.9Very high85.4Confident0 Ų044.6 Ų44.60%023%0.226CC..EExtended strand (participates in β ladder)trans-111.7161.1168.200000109.6I164 K165 C166 T189 I190 L192A12-I164 HydrophobicContact CB-CG2 4.19Å; A12-K165 CarbonylContact C-O 3.55Å; A12-K165 WeakPolarHBondContact CA-O 3.29Å; A12-K165 WeakPolarHBondContact CB-O 3.26Å; A12-C166 HydrophobicContact CB-CB 4.06Å; A12-T189 CarbonylContact O-C 3.56Å; A12-T189 WeakPolarHBondContact O-CA 3.37Å; A12-I190 HydrophobicContact CB-CG1 4.27Å; A12-I190 PolarHBondContact N-O 3.48Å; A12-I190 PolarHBondContact O-N 2.85Å; A12-L192 HydrophobicContact CB-CD2 3.44Å; A12-L192 VanDerWaalsContact CB-CD2 3.44Å; A12-L192 HydrophobicContact CB-CG 3.76Å
13I95Very high84.2Confident5 Ų543.8 Ų43.83%0.02624%0.24CC..EExtended strand (participates in β ladder)trans-100.4120.9178.5-63177.4000108.1Y15 P40 I164 K165 I175 F187I13-Y15 HydrophobicContact CB-CE2 4.32Å; I13-Y15 HydrophobicContact CG2-CD2 3.95Å; I13-Y15 HydrophobicContact CG2-CE1 4.24Å; I13-Y15 HydrophobicContact CG2-CE2 3.6Å; I13-Y15 HydrophobicContact CG2-CG 4.4Å; I13-P40 HydrophobicContact CD1-CB 4.27Å; I13-P40 HydrophobicContact CD1-CG 3.72Å; I13-P40 HydrophobicContact CG1-CG 4.12Å; I13-I164 CarbonylContact O-C 3.59Å; I13-I164 VanDerWaalsContact O-CA 3.23Å; I13-I164 WeakPolarHBondContact O-CA 3.38Å; I13-K165 PolarHBondContact N-O 2.99Å; I13-K165 PolarHBondContact O-N 3.48Å; I13-I175 HydrophobicContact CD1-CG2 3.94Å; I13-I175 HydrophobicContact CG1-CD1 4.3Å; I13-I175 HydrophobicContact CG1-CG1 4.46Å; I13-I175 HydrophobicContact CG1-CG2 3.94Å; I13-F187 HydrophobicContact CG1-CD2 4.49Å; I13-F187 HydrophobicContact CG2-CB 3.53Å; I13-F187 HydrophobicContact CG2-CD1 4.26Å; I13-F187 HydrophobicContact CG2-CD2 3.74Å; I13-F187 HydrophobicContact CG2-CG 3.59Å
14L95.7Very high82.4Confident0 Ų045.9 Ų45.90%025%0.252CS..EExtended strand (participates in β ladder)trans-98.2112.7166.4172.267.7000108.6L162 I164 F187 N188 I190 V221 I222 Q225L14-L162 HydrophobicContact CD1-CD1 3.61Å; L14-I164 HydrophobicContact CD1-CD1 4.23Å; L14-I164 HydrophobicContact CD1-CG1 3.73Å; L14-F187 CarbonylContact O-C 3.48Å; L14-F187 WeakPolarHBondContact O-CA 3.45Å; L14-F187 WeakPolarHBondContact O-CB 3.04Å; L14-N188 PolarHBondContact N-O 2.92Å; L14-N188 PolarHBondContact O-N 2.79Å; L14-I190 HydrophobicContact CB-CD1 3.76Å; L14-I190 HydrophobicContact CB-CG1 4.06Å; L14-I190 HydrophobicContact CB-CG2 4.1Å; L14-I190 HydrophobicContact CD2-CG2 4.35Å; L14-V221 HydrophobicContact CD2-CG1 3.91Å; L14-I222 HydrophobicContact CD2-CG1 3.8Å; L14-Q225 HydrophobicContact CD1-CB 4.15Å; L14-Q225 HydrophobicContact CD1-CG 4.4Å; L14-Q225 HydrophobicContact CD2-CG 4.15Å; L14-Q225 HydrophobicContact CG-CG 4.4Å
15Y94.5Very high80.6Confident39 Ų3948.7 Ų48.715%0.15327%0.269CS..EExtended strand (participates in β ladder)trans-75142176.9-71.2-89.3000111I13 R17 C163 K165 F187 Q225I13-Y15 HydrophobicContact CB-CE2 4.32Å; I13-Y15 HydrophobicContact CG2-CD2 3.95Å; I13-Y15 HydrophobicContact CG2-CE1 4.24Å; I13-Y15 HydrophobicContact CG2-CE2 3.6Å; I13-Y15 HydrophobicContact CG2-CG 4.4Å; Y15-R17 PolarHBondContact O-N 2.8Å; Y15-C163 HydrophobicContact CD2-CB 4.38Å; Y15-C163 VanDerWaalsContact CD2-SG 3.51Å; Y15-C163 PolarHBondContact N-O 3.23Å; Y15-K165 HydrophobicContact CE2-CB 4.1Å; Y15-K165 HydrophobicContact CE2-CD 3.83Å; Y15-K165 HydrophobicContact CE2-CG 3.81Å; Y15-F187 HydrophobicContact CD1-CB 4.33Å; Y15-Q225 PolarHBondContact O-OE1 3.32Å
16N92.4Very high78.7Confident0 Ų049.2 Ų49.20%027%0.272CS..  trans-84.1112.2174.1-173.62.4000109.9Y18 F19 V22 F185 N186 Q225 T251 F252N16-Y18 PolarHBondContact O-N 3.26Å; N16-Y18 WeakPolarHBondContact OD1-CD2 3.4Å; N16-Y18 PolarHBondContact OD1-N 3.42Å; N16-F19 HydrophobicContact CB-CB 4.2Å; N16-F19 WeakPolarHBondContact O-CB 3.46Å; N16-F19 PolarHBondContact O-N 3.21Å; N16-V22 VanDerWaalsContact O-CG2 3.27Å; N16-V22 WeakPolarHBondContact O-CG2 3.17Å; N16-F185 WeakPolarHBondContact CB-O 3.46Å; N16-F185 PolarHBondContact ND2-O 3.35Å; N16-N186 WeakPolarHBondContact CB-O 3.37Å; N16-N186 PolarHBondContact N-O 2.84Å; N16-Q225 PolarHBondContact OD1-NE2 3.2Å; N16-T251 PolarHBondContact ND2-O 3.42Å; N16-F252 HydrophobicContact CB-CD1 3.71Å; N16-F252 HydrophobicContact CB-CE1 3.69Å
17R90.6Very high76.6Confident62 Ų6247.7 Ų47.723%0.23427%0.269CS..THydrogen-bonded Turntrans-50.2-38.5172.7165.2178.1-60.7-172.118.2113.1Y15 F19 Q225 T226Y15-R17 PolarHBondContact O-N 2.8Å; R17-F19 VanDerWaalsContact C-N 3.29Å; R17-Q225 PolarHBondContact NH2-O 2.88Å; R17-Q225 VanDerWaalsContact NH2-O 3.11Å; R17-T226 VanDerWaalsContact NH2-C 3.3Å; R17-T226 PolarHBondContact NH2-O 3.49Å
18Y87.3Confident74.4Confident39 Ų3948.2 Ų48.215%0.15328%0.279CS..THydrogen-bonded Turntrans-85.5-6.5-168.8-55.1-68.5000112.9N16 Q184 F252 A254N16-Y18 PolarHBondContact O-N 3.26Å; N16-Y18 WeakPolarHBondContact OD1-CD2 3.4Å; N16-Y18 PolarHBondContact OD1-N 3.42Å; Y18-Q184 PolarHBondContact O-OE1 3.1Å; Y18-F252 WeakPolarHBondContact CD2-O 3.49Å; Y18-F252 WeakPolarHBondContact CE2-O 3.2Å; Y18-A254 HydrophobicContact CD1-CB 3.84Å; Y18-A254 HydrophobicContact CE1-CB 3.69Å; Y18-A254 HydrophobicContact CG-CB 4.48Å
19F86.9Confident72.3Confident22 Ų2244.6 Ų44.610%0.09626%0.256CS..SBendtrans-66.3141.6-178.7-166.5-98.1000110.7N16 R17 V22 L181 Q184 F185 N186N16-F19 HydrophobicContact CB-CB 4.2Å; N16-F19 WeakPolarHBondContact O-CB 3.46Å; N16-F19 PolarHBondContact O-N 3.21Å; R17-F19 VanDerWaalsContact C-N 3.29Å; F19-V22 HydrophobicContact CB-CG2 3.77Å; F19-V22 WeakPolarHBondContact O-CG2 3.5Å; F19-L181 HydrophobicContact CE2-CB 3.66Å; F19-L181 HydrophobicContact CZ-CB 3.62Å; F19-L181 HydrophobicContact CZ-CD2 4.26Å; F19-Q184 HydrophobicContact CD2-CB 4.24Å; F19-F185 VanDerWaalsContact CD2-C 3.48Å; F19-N186 HydrophobicContact CD1-CB 3.7Å; F19-N186 VanDerWaalsContact CD2-CA 3.45Å; F19-N186 HydrophobicContact CD2-CB 3.86Å; F19-N186 HydrophobicContact CE1-CB 3.69Å; F19-N186 HydrophobicContact CE2-CB 3.81Å; F19-N186 HydrophobicContact CG-CB 3.8Å; F19-N186 HydrophobicContact CZ-CB 3.74Å
20P73.7Confident69.9Low41 Ų4147.3 Ų47.327%0.26626%0.26SS..THydrogen-bonded Turntrans-60.7143176.1-22.332.8000111.9V22 L181P20-V22 VanDerWaalsContact C-N 3.3Å; P20-V22 PolarHBondContact O-N 3Å; P20-L181 HydrophobicContact CB-CD2 4.26Å; P20-L181 HydrophobicContact CG-CD2 4.09Å
21N64.8Low67.3Low120 Ų12053.6 Ų53.664%0.64229%0.294SS*.THydrogen-bonded Turntrans60.730.6176.3-52.8-17.5000115.2G23 D24 T25N21-G23 PolarHBondContact O-N 3.43Å; N21-D24 PolarHBondContact O-N 3.24Å; N21-D24 VanDerWaalsContact O-N 3.16Å; N21-T25 PolarHBondContact O-N 3.09Å; N21-T25 PolarHBondContact O-OG1 3.13Å
22V59.9Low64.7Low30 Ų3053.9 Ų53.918%0.18230%0.301CS..Hα-helixtrans-56.3-31172.6167.20000111.8N16 F19 P20 D24 T25 I26N16-V22 VanDerWaalsContact O-CG2 3.27Å; N16-V22 WeakPolarHBondContact O-CG2 3.17Å; F19-V22 HydrophobicContact CB-CG2 3.77Å; F19-V22 WeakPolarHBondContact O-CG2 3.5Å; P20-V22 VanDerWaalsContact C-N 3.3Å; P20-V22 PolarHBondContact O-N 3Å; V22-D24 VanDerWaalsContact C-N 3.34Å; V22-D24 PolarHBondContact O-N 3.02Å; V22-T25 WeakPolarHBondContact CA-OG1 3.4Å; V22-T25 PolarHBondContact O-N 3.38Å; V22-T25 PolarHBondContact O-OG1 3.33Å; V22-I26 HydrophobicContact CG1-CD1 3.19Å; V22-I26 HydrophobicContact CG1-CG1 3.73Å; V22-I26 WeakPolarHBondContact O-CB 3.39Å; V22-I26 VanDerWaalsContact O-CG1 3.25Å; V22-I26 WeakPolarHBondContact O-CG1 3.26Å; V22-I26 PolarHBondContact O-N 3.45Å
23G51.4Low62.2Low55 Ų5560.7 Ų60.757%0.56734%0.337SS*.Hα-helixtrans-54.4-44.5174.800000113.5N21 S27N21-G23 PolarHBondContact O-N 3.43Å; G23-S27 WeakPolarHBondContact O-CB 3.3Å; G23-S27 PolarHBondContact O-N 2.66Å; G23-S27 PolarHBondContact O-OG 3.12Å
24D45.2Very low59.5Low110 Ų11062.2 Ų62.259%0.58835%0.354SS*.Hα-helixtrans-80.2-35.3-176-63.5-30.5000112.7N21 V22 S27 S28N21-D24 PolarHBondContact O-N 3.24Å; N21-D24 VanDerWaalsContact O-N 3.16Å; V22-D24 VanDerWaalsContact C-N 3.34Å; V22-D24 PolarHBondContact O-N 3.02Å; D24-S27 WeakPolarHBondContact CA-OG 3.34Å; D24-S27 PolarHBondContact O-OG 2.83Å; D24-S28 VanDerWaalsContact O-CB 3.29Å; D24-S28 WeakPolarHBondContact O-CB 3.41Å; D24-S28 PolarHBondContact O-N 2.94Å; D24-S28 VanDerWaalsContact O-N 3.12Å; D24-S28 PolarHBondContact O-OG 2.69Å
25T47.6Very low57.2Low62 Ų6268.4 Ų68.438%0.3839%0.387SS..Hα-helixtrans-75.3-33.8178.842.50000112.5N21 V22 S28 S29N21-T25 PolarHBondContact O-N 3.09Å; N21-T25 PolarHBondContact O-OG1 3.13Å; V22-T25 WeakPolarHBondContact CA-OG1 3.4Å; V22-T25 PolarHBondContact O-N 3.38Å; V22-T25 PolarHBondContact O-OG1 3.33Å; T25-S28 PolarHBondContact O-OG 3.2Å; T25-S29 WeakPolarHBondContact O-CB 3.41Å; T25-S29 PolarHBondContact O-OG 2.95Å
26I47Very low54.8Low18 Ų1873.6 Ų73.69%0.09242%0.418CS..Hα-helixtrans-81.5-41.2174.8-51.3-179000110.5V22 S29 Y30 C163V22-I26 HydrophobicContact CG1-CD1 3.19Å; V22-I26 HydrophobicContact CG1-CG1 3.73Å; V22-I26 WeakPolarHBondContact O-CB 3.39Å; V22-I26 VanDerWaalsContact O-CG1 3.25Å; V22-I26 WeakPolarHBondContact O-CG1 3.26Å; V22-I26 PolarHBondContact O-N 3.45Å; I26-S29 CarbonylContact O-C 3.34Å; I26-S29 WeakPolarHBondContact O-CA 2.95Å; I26-S29 PolarHBondContact O-N 3.18Å; I26-S29 VanDerWaalsContact O-N 3.08Å; I26-S29 PolarHBondContact O-OG 3.18Å; I26-Y30 HydrophobicContact CB-CD2 4.36Å; I26-Y30 HydrophobicContact CB-CE2 3.98Å; I26-Y30 HydrophobicContact CG2-CD2 3.61Å; I26-Y30 HydrophobicContact CG2-CE1 4.2Å; I26-Y30 HydrophobicContact CG2-CE2 3.05Å; I26-Y30 HydrophobicContact CG2-CG 4.39Å; I26-Y30 VanDerWaalsContact O-CD2 3.25Å; I26-Y30 WeakPolarHBondContact O-CD2 2.98Å; I26-Y30 PolarHBondContact O-N 2.84Å; I26-C163 HydrophobicContact CD1-CB 4.25Å
27S41.2Very low53Low56 Ų5675 Ų7539%0.39243%0.428SS..Hα-helixtrans-65.5-43.5179.7640000115G23 D24 S29 Y30G23-S27 WeakPolarHBondContact O-CB 3.3Å; G23-S27 PolarHBondContact O-N 2.66Å; G23-S27 PolarHBondContact O-OG 3.12Å; D24-S27 WeakPolarHBondContact CA-OG 3.34Å; D24-S27 PolarHBondContact O-OG 2.83Å; S27-S29 PolarHBondContact O-N 3.16Å; S27-S29 VanDerWaalsContact O-N 3.07Å; S27-Y30 PolarHBondContact O-N 2.79Å; S27-Y30 VanDerWaalsContact O-N 3.08Å
28S40Very low51.5Low78 Ų7879.8 Ų79.855%0.54545%0.45SS..THydrogen-bonded Turntrans-60.4-20.3172.257.80000112.8D24 T25D24-S28 VanDerWaalsContact O-CB 3.29Å; D24-S28 WeakPolarHBondContact O-CB 3.41Å; D24-S28 PolarHBondContact O-N 2.94Å; D24-S28 VanDerWaalsContact O-N 3.12Å; D24-S28 PolarHBondContact O-OG 2.69Å; T25-S28 PolarHBondContact O-OG 3.2Å
29S39.8Very low50.4Low30 Ų3080.5 Ų80.521%0.2146%0.461CS..THydrogen-bonded Turntrans-104.2-4.8-179.785.90000113.8T25 I26 S27 K165T25-S29 WeakPolarHBondContact O-CB 3.41Å; T25-S29 PolarHBondContact O-OG 2.95Å; I26-S29 CarbonylContact O-C 3.34Å; I26-S29 WeakPolarHBondContact O-CA 2.95Å; I26-S29 PolarHBondContact O-N 3.18Å; I26-S29 VanDerWaalsContact O-N 3.08Å; I26-S29 PolarHBondContact O-OG 3.18Å; S27-S29 PolarHBondContact O-N 3.16Å; S27-S29 VanDerWaalsContact O-N 3.07Å; S29-K165 PolarHBondContact O-NZ 3.37Å; S29-K165 PolarHBondContact OG-NZ 3.09Å
30Y38.1Very low49.8Very low110 Ų11079.7 Ų79.743%0.43146%0.458SS..THydrogen-bonded Turntrans-79.7-20.8176-91.2-55.7000112.4I26 S27I26-Y30 HydrophobicContact CB-CD2 4.36Å; I26-Y30 HydrophobicContact CB-CE2 3.98Å; I26-Y30 HydrophobicContact CG2-CD2 3.61Å; I26-Y30 HydrophobicContact CG2-CE1 4.2Å; I26-Y30 HydrophobicContact CG2-CE2 3.05Å; I26-Y30 HydrophobicContact CG2-CG 4.39Å; I26-Y30 VanDerWaalsContact O-CD2 3.25Å; I26-Y30 WeakPolarHBondContact O-CD2 2.98Å; I26-Y30 PolarHBondContact O-N 2.84Å; S27-Y30 PolarHBondContact O-N 2.79Å; S27-Y30 VanDerWaalsContact O-N 3.08Å
31N36.1Very low50.2Low143 Ų14379 Ų7977%0.76545%0.452SS*.SBendtrans-110.53.1-172.6-74.1-17.4000115.2
32N37Very low51.4Low111 Ų11174.7 Ų74.759%0.59443%0.429SS*.  trans-107.473.4179.9-79.9-18.3000111.5G34N32-G34 PolarHBondContact O-N 3.31Å; N32-G34 VanDerWaalsContact O-N 3.09Å
33D42.2Very low52.9Low144 Ų14474.1 Ų74.177%0.7743%0.425SS*.  trans-7532157.6-82.4-21.3000111.2N35D33-N35 PolarHBondContact O-N 3.4Å
34G38.4Very low55Low37 Ų3771.5 Ų71.538%0.38140%0.398SS..  trans-76.1121.717400000110.2N32 D36 S37N32-G34 PolarHBondContact O-N 3.31Å; N32-G34 VanDerWaalsContact O-N 3.09Å; G34-D36 PolarHBondContact O-N 2.96Å; G34-S37 PolarHBondContact O-N 3.14Å; G34-S37 PolarHBondContact O-OG 3.3Å
35N47.1Very low57.4Low130 Ų13066.3 Ų66.370%0.69537%0.37SS*.THydrogen-bonded Turntrans-58.4-11.3178-83.4-25.9000114.6D33 R171D33-N35 PolarHBondContact O-N 3.4Å; N35-R171 PolarHBondContact O-NH1 2.95Å; N35-R171 PolarHBondContact O-NH2 3.39Å
36D44.8Very low59.5Low147 Ų14767.7 Ų67.779%0.78637%0.372SS*.THydrogen-bonded Turntrans-95.43.6-174.7-70.4-23.1000115.1G34 F38G34-D36 PolarHBondContact O-N 2.96Å; D36-F38 PolarHBondContact O-N 3.12Å
37S53.6Low61.7Low31 Ų3167.8 Ų67.822%0.21737%0.374CS..  trans-78.9121.8174.557.70000111.6G34 S39G34-S37 PolarHBondContact O-N 3.14Å; G34-S37 PolarHBondContact O-OG 3.3Å; S37-S39 PolarHBondContact O-N 3.29Å; S37-S39 VanDerWaalsContact O-N 3.08Å
38F58.8Low64.2Low161 Ų16165.1 Ų65.171%0.70636%0.355SS*.SBendtrans-76.730.6166.9-68.6-83.5000112D36 V173D36-F38 PolarHBondContact O-N 3.12Å; F38-V173 WeakPolarHBondContact O-CG1 3.39Å
39S64.5Low66.7Low55 Ų5563 Ų6339%0.38534%0.337SS..SBendtrans-127.3153.7178.463.40000111S37 N41S37-S39 PolarHBondContact O-N 3.29Å; S37-S39 VanDerWaalsContact O-N 3.08Å; S39-N41 PolarHBondContact O-N 2.84Å; S39-N41 VanDerWaalsContact O-N 3.1Å
40P74.8Confident69.1Low4 Ų468.6 Ų68.63%0.02636%0.358CS..  trans-60.3116176.2-25.937.5000109.9I13 K165 V173 I175I13-P40 HydrophobicContact CD1-CB 4.27Å; I13-P40 HydrophobicContact CD1-CG 3.72Å; I13-P40 HydrophobicContact CG1-CG 4.12Å; P40-K165 HydrophobicContact CB-CB 4.15Å; P40-K165 WeakPolarHBondContact O-CD 3.46Å; P40-V173 HydrophobicContact CG-CG1 4.14Å; P40-I175 HydrophobicContact CG-CG1 4.16Å
41N82.8Confident71.6Confident26 Ų2665 Ų6514%0.13935%0.345CS..  trans-110.3-20.1-172.463.2-15.3000113.8S39 N43 C166S39-N41 PolarHBondContact O-N 2.84Å; S39-N41 VanDerWaalsContact O-N 3.1Å; N41-N43 PolarHBondContact O-N 2.83Å; N41-C166 PolarHBondContact N-O 3.35Å
42I88.5Confident74Confident31 Ų3160.5 Ų60.516%0.15932%0.319CS..EExtended strand (participates in β ladder)trans-77.4116.1-179.2-56.9-177.9000110.1F44 K165 C166 P168 K398 L399I42-F44 PolarHBondContact O-N 3.49Å; I42-K165 CarbonylContact O-C 3.6Å; I42-K165 VanDerWaalsContact O-CA 3.31Å; I42-K165 WeakPolarHBondContact O-CA 3.23Å; I42-C166 WeakPolarHBondContact CB-O 3.49Å; I42-C166 PolarHBondContact N-O 3.01Å; I42-C166 PolarHBondContact O-N 2.89Å; I42-P168 HydrophobicContact CD1-CB 4.04Å; I42-P168 HydrophobicContact CD1-CG 3.9Å; I42-P168 HydrophobicContact CG1-CG 4.26Å; I42-K398 WeakPolarHBondContact CD1-O 3.23Å; I42-L399 HydrophobicContact CG2-CD2 3.87Å
43N93Very high76.1Confident17 Ų1759.4 Ų59.49%0.09131%0.313CS..EExtended strand (participates in β ladder)trans-72.7106.2169.7-171.3-37.2000110N41 I45 Q46 T47N41-N43 PolarHBondContact O-N 2.83Å; N43-I45 PolarHBondContact OD1-N 2.86Å; N43-Q46 HydrophobicContact CB-CB 4.1Å; N43-Q46 HydrophobicContact CB-CG 4.44Å; N43-Q46 WeakPolarHBondContact ND2-CG 3.04Å; N43-Q46 PolarHBondContact ND2-OE1 3.46Å; N43-Q46 PolarHBondContact OD1-N 3.06Å; N43-T47 VanDerWaalsContact O-CB 3.29Å; N43-T47 WeakPolarHBondContact O-CB 3.36Å; N43-T47 PolarHBondContact O-N 3.45Å; N43-T47 PolarHBondContact O-OG1 3.43Å
44F94.8Very high77.7Confident0 Ų055.3 Ų55.30%030%0.296CS..Hα-helixtrans-61.9-48.5-175.3177-101.3000111.7I42 T47 L48 I164 L192 V195 I196 L199 L399 I401I42-F44 PolarHBondContact O-N 3.49Å; F44-T47 WeakPolarHBondContact O-CB 3.24Å; F44-T47 PolarHBondContact O-N 3.33Å; F44-L48 HydrophobicContact CD1-CD1 4.14Å; F44-L48 HydrophobicContact CE1-CD1 3.56Å; F44-L48 HydrophobicContact CE1-CG 4.46Å; F44-L48 HydrophobicContact CE2-CD1 4.44Å; F44-L48 HydrophobicContact CZ-CD1 3.73Å; F44-L48 HydrophobicContact CZ-CG 4.43Å; F44-L48 WeakPolarHBondContact O-CG 3.03Å; F44-L48 PolarHBondContact O-N 2.53Å; F44-L48 VanDerWaalsContact O-N 3.11Å; F44-I164 HydrophobicContact CB-CB 4.11Å; F44-I164 HydrophobicContact CB-CG2 3.89Å; F44-I164 HydrophobicContact CD1-CD1 4.47Å; F44-I164 HydrophobicContact CD1-CG2 4.46Å; F44-I164 HydrophobicContact CG-CG2 4.39Å; F44-I164 PolarHBondContact N-O 2.88Å; F44-L192 HydrophobicContact CD1-CD2 4.44Å; F44-L192 HydrophobicContact CD2-CD1 3.89Å; F44-L192 HydrophobicContact CD2-CD2 4.1Å; F44-L192 HydrophobicContact CE2-CD1 4.06Å; F44-L192 HydrophobicContact CE2-CD2 4.38Å; F44-L192 HydrophobicContact CG-CD2 4.14Å; F44-V195 HydrophobicContact CD1-CG1 4.26Å; F44-V195 HydrophobicContact CE1-CB 4.38Å; F44-V195 HydrophobicContact CE1-CG1 3.75Å; F44-I196 HydrophobicContact CZ-CG1 4.3Å; F44-L199 HydrophobicContact CE1-CD1 4.03Å; F44-L399 HydrophobicContact CD2-CD1 3.78Å; F44-L399 HydrophobicContact CD2-CD2 3.93Å; F44-L399 HydrophobicContact CD2-CG 4.42Å; F44-L399 HydrophobicContact CE2-CD1 3.67Å; F44-I401 HydrophobicContact CD2-CD1 4.5Å; F44-I401 HydrophobicContact CE2-CD1 3.6Å; F44-I401 HydrophobicContact CZ-CD1 4.33Å
45I94.6Very high79.4Confident1 Ų156.8 Ų56.81%0.00530%0.295CS..Hα-helixtrans-70.2-44.8-174.2-67.4-62000111.8N43 T47 L48 I49 I158 L162 I164 L199N43-I45 PolarHBondContact OD1-N 2.86Å; I45-T47 VanDerWaalsContact C-N 3.28Å; I45-T47 PolarHBondContact O-N 3.01Å; I45-L48 PolarHBondContact O-N 3.49Å; I45-I49 HydrophobicContact CG2-CD1 3.86Å; I45-I49 WeakPolarHBondContact O-CG1 3.14Å; I45-I49 PolarHBondContact O-N 2.96Å; I45-I158 HydrophobicContact CD1-CG2 4.21Å; I45-I158 HydrophobicContact CG2-CG2 3.7Å; I45-L162 WeakPolarHBondContact CB-O 3.12Å; I45-L162 HydrophobicContact CD1-CD2 3.92Å; I45-L162 HydrophobicContact CD1-CG 4.39Å; I45-L162 HydrophobicContact CG1-CB 4.18Å; I45-L162 HydrophobicContact CG1-CD2 4.27Å; I45-L162 HydrophobicContact CG1-CG 4.19Å; I45-L162 VanDerWaalsContact CG1-O 3.26Å; I45-L162 WeakPolarHBondContact CG1-O 3.41Å; I45-I164 HydrophobicContact CD1-CD1 4.47Å; I45-I164 HydrophobicContact CG1-CD1 4.31Å; I45-L199 HydrophobicContact CD1-CD2 4.42Å
46Q92.6Very high80.3Confident91 Ų9154.5 Ų54.543%0.42529%0.286SS..Hα-helixtrans-63.9-35.2175.2-71.6180-21.200112.3N43 L48 I49 K50N43-Q46 HydrophobicContact CB-CB 4.1Å; N43-Q46 HydrophobicContact CB-CG 4.44Å; N43-Q46 WeakPolarHBondContact ND2-CG 3.04Å; N43-Q46 PolarHBondContact ND2-OE1 3.46Å; N43-Q46 PolarHBondContact OD1-N 3.06Å; Q46-L48 VanDerWaalsContact C-N 3.33Å; Q46-L48 PolarHBondContact O-N 2.92Å; Q46-I49 PolarHBondContact O-N 3.43Å; Q46-K50 WeakPolarHBondContact O-CB 3.42Å; Q46-K50 PolarHBondContact O-N 2.86Å
47T93.1Very high80.4Confident20 Ų2052.5 Ų52.512%0.12328%0.275CS..Hα-helixtrans-60.7-45174.2-61.60000110.6N43 F44 I45 H51 C395 K398 L399N43-T47 VanDerWaalsContact O-CB 3.29Å; N43-T47 WeakPolarHBondContact O-CB 3.36Å; N43-T47 PolarHBondContact O-N 3.45Å; N43-T47 PolarHBondContact O-OG1 3.43Å; F44-T47 WeakPolarHBondContact O-CB 3.24Å; F44-T47 PolarHBondContact O-N 3.33Å; I45-T47 VanDerWaalsContact C-N 3.28Å; I45-T47 PolarHBondContact O-N 3.01Å; T47-H51 PolarHBondContact O-N 2.86Å; T47-H51 PolarHBondContact O-ND1 2.86Å; T47-C395 HydrophobicContact CG2-CB 4.41Å; T47-K398 HydrophobicContact CG2-CB 4.25Å; T47-K398 HydrophobicContact CG2-CD 3.96Å; T47-L399 HydrophobicContact CG2-CD1 4.36Å; T47-L399 HydrophobicContact CG2-CD2 4.09Å; T47-L399 HydrophobicContact CG2-CG 4.21Å
48L94.2Very high80Confident0 Ų055.1 Ų55.10%029%0.287CS..Hα-helixtrans-63.4-48176.5-64.5179000111.8F44 I45 Q46 K50 H51 Q52 I158 L199 L391 L392 C395 L399F44-L48 HydrophobicContact CD1-CD1 4.14Å; F44-L48 HydrophobicContact CE1-CD1 3.56Å; F44-L48 HydrophobicContact CE1-CG 4.46Å; F44-L48 HydrophobicContact CE2-CD1 4.44Å; F44-L48 HydrophobicContact CZ-CD1 3.73Å; F44-L48 HydrophobicContact CZ-CG 4.43Å; F44-L48 WeakPolarHBondContact O-CG 3.03Å; F44-L48 PolarHBondContact O-N 2.53Å; F44-L48 VanDerWaalsContact O-N 3.11Å; I45-L48 PolarHBondContact O-N 3.49Å; Q46-L48 VanDerWaalsContact C-N 3.33Å; Q46-L48 PolarHBondContact O-N 2.92Å; L48-K50 VanDerWaalsContact C-N 3.32Å; L48-K50 PolarHBondContact O-N 3.42Å; L48-H51 PolarHBondContact O-N 2.91Å; L48-H51 VanDerWaalsContact O-N 3.16Å; L48-Q52 WeakPolarHBondContact O-CB 2.93Å; L48-Q52 PolarHBondContact O-N 3.11Å; L48-I158 HydrophobicContact CB-CD1 3.65Å; L48-L199 HydrophobicContact CD1-CD1 3.76Å; L48-L391 HydrophobicContact CB-CD2 4.23Å; L48-L391 HydrophobicContact CD2-CD2 4.26Å; L48-L391 HydrophobicContact CD2-CG 4.06Å; L48-L391 WeakPolarHBondContact O-CD1 3.33Å; L48-L392 HydrophobicContact CD2-CD2 4.13Å; L48-C395 HydrophobicContact CD2-CB 4.38Å; L48-L399 HydrophobicContact CD2-CD1 3.96Å
49I92.3Very high79.4Confident33 Ų3353.3 Ų53.317%0.16929%0.289CS..Hα-helixtrans-57.3-45.5180-67.2163.9000111.3I45 Q46 H51 Q52 N53 I158 E160I45-I49 HydrophobicContact CG2-CD1 3.86Å; I45-I49 WeakPolarHBondContact O-CG1 3.14Å; I45-I49 PolarHBondContact O-N 2.96Å; Q46-I49 PolarHBondContact O-N 3.43Å; I49-H51 VanDerWaalsContact C-N 3.3Å; I49-H51 PolarHBondContact O-N 3.2Å; I49-Q52 PolarHBondContact O-N 3.36Å; I49-N53 PolarHBondContact O-N 3.27Å; I49-N53 VanDerWaalsContact O-N 3.15Å; I49-I158 HydrophobicContact CD1-CG2 4.12Å; I49-I158 HydrophobicContact CG1-CB 3.97Å; I49-I158 HydrophobicContact CG1-CD1 3.85Å; I49-I158 HydrophobicContact CG1-CG2 3.78Å; I49-E160 HydrophobicContact CD1-CB 4.25Å; I49-E160 HydrophobicContact CD1-CG 3.9Å
50K90.5Very high77.9Confident149 Ų14955.3 Ų55.365%0.64830%0.303SS*.Hα-helixtrans-59-39.6179.8-174172.7-179.3170.30112.5Q46 L48 S54Q46-K50 WeakPolarHBondContact O-CB 3.42Å; Q46-K50 PolarHBondContact O-N 2.86Å; L48-K50 VanDerWaalsContact C-N 3.32Å; L48-K50 PolarHBondContact O-N 3.42Å; K50-S54 PolarHBondContact O-N 3.04Å
51H89.7Confident75.8Confident34 Ų3461 Ų6116%0.15733%0.332CS..Hα-helixtrans-83.2-29.1178.8-62.883.7000112.6T47 L48 I49 N53 S54 L55 L391 C395 K398T47-H51 PolarHBondContact O-N 2.86Å; T47-H51 PolarHBondContact O-ND1 2.86Å; L48-H51 PolarHBondContact O-N 2.91Å; L48-H51 VanDerWaalsContact O-N 3.16Å; I49-H51 VanDerWaalsContact C-N 3.3Å; I49-H51 PolarHBondContact O-N 3.2Å; H51-N53 VanDerWaalsContact C-N 3.32Å; H51-N53 PolarHBondContact O-N 2.82Å; H51-S54 WeakPolarHBondContact O-CB 3.36Å; H51-S54 PolarHBondContact O-N 3.43Å; H51-S54 VanDerWaalsContact O-N 3.15Å; H51-L55 WeakPolarHBondContact O-CG 3.32Å; H51-L55 PolarHBondContact O-N 3.05Å; H51-L391 HydrophobicContact CB-CD1 3.94Å; H51-C395 VanDerWaalsContact CG-SG 3.59Å; H51-C395 PolarHBondContact ND1-SG 3.21Å; H51-C395 VanDerWaalsContact ND1-SG 3.42Å; H51-K398 PolarHBondContact CE1-NZ 2.92Å; H51-K398 VanDerWaalsContact CE1-NZ 3.28Å; H51-K398 PolarHBondContact NE2-NZ 2.73Å
52Q87.5Confident73.3Confident49 Ų4963.9 Ų63.923%0.22936%0.36CS..Hα-helixtrans-58.2-46.7173.3-173175.619.300110.6L48 I49 S54 L55 T56 F156 I158 L391L48-Q52 WeakPolarHBondContact O-CB 2.93Å; L48-Q52 PolarHBondContact O-N 3.11Å; I49-Q52 PolarHBondContact O-N 3.36Å; Q52-S54 VanDerWaalsContact C-N 3.29Å; Q52-S54 PolarHBondContact O-N 3.22Å; Q52-L55 PolarHBondContact O-N 2.82Å; Q52-T56 PolarHBondContact O-N 3.09Å; Q52-T56 PolarHBondContact O-OG1 3.14Å; Q52-F156 PolarHBondContact NE2-O 2.95Å; Q52-I158 HydrophobicContact CB-CD1 4.24Å; Q52-L391 HydrophobicContact CB-CD1 4.09Å; Q52-L391 HydrophobicContact CB-CD2 4.45Å
53N79.8Confident70.6Confident87 Ų8770 Ų7047%0.46539%0.393SS..Hα-helixtrans-64.7-32.9176.8-65.5-17.9000112.7I49 H51 T56 N57I49-N53 PolarHBondContact O-N 3.27Å; I49-N53 VanDerWaalsContact O-N 3.15Å; H51-N53 VanDerWaalsContact C-N 3.32Å; H51-N53 PolarHBondContact O-N 2.82Å; N53-T56 WeakPolarHBondContact CA-OG1 3.22Å; N53-T56 PolarHBondContact O-OG1 3.08Å; N53-N57 WeakPolarHBondContact O-CB 3.11Å; N53-N57 PolarHBondContact O-N 2.85Å; N53-N57 VanDerWaalsContact O-N 3.17Å; N53-N57 PolarHBondContact O-ND2 3.31Å
54S75.3Confident67.7Low59 Ų5978.4 Ų78.441%0.41343%0.429SS..Hα-helixtrans-69.9-38.4174.9-173.10000111.9K50 H51 Q52 N58K50-S54 PolarHBondContact O-N 3.04Å; H51-S54 WeakPolarHBondContact O-CB 3.36Å; H51-S54 PolarHBondContact O-N 3.43Å; H51-S54 VanDerWaalsContact O-N 3.15Å; Q52-S54 VanDerWaalsContact C-N 3.29Å; Q52-S54 PolarHBondContact O-N 3.22Å; S54-N58 VanDerWaalsContact O-CG 3.23Å; S54-N58 PolarHBondContact O-N 3.11Å; S54-N58 PolarHBondContact O-ND2 3.49Å
55L74.9Confident64.6Low68 Ų6886 Ų8636%0.35647%0.469SS..Hα-helixtrans-67.2-41.2178.1-74.9161.8000111H51 Q52 N58 L391 A394H51-L55 WeakPolarHBondContact O-CG 3.32Å; H51-L55 PolarHBondContact O-N 3.05Å; Q52-L55 PolarHBondContact O-N 2.82Å; L55-N58 PolarHBondContact O-N 3.1Å; L55-L391 HydrophobicContact CD1-CB 4.29Å; L55-L391 HydrophobicContact CD1-CD1 3.93Å; L55-A394 HydrophobicContact CD1-CB 4.34Å
56T65.5Low61.7Low81 Ų8191.1 Ų91.150%0.49750%0.503SS..Hα-helixtrans-66.2-38.6176.853.90000112.5Q52 N53 N58 V59Q52-T56 PolarHBondContact O-N 3.09Å; Q52-T56 PolarHBondContact O-OG1 3.14Å; N53-T56 WeakPolarHBondContact CA-OG1 3.22Å; N53-T56 PolarHBondContact O-OG1 3.08Å; T56-N58 VanDerWaalsContact C-N 3.3Å; T56-N58 PolarHBondContact O-N 3.12Å; T56-V59 PolarHBondContact O-N 3.27Å
57N46.9Very low58.7Low106 Ų10693.1 Ų93.157%0.56752%0.521SS*.Hα-helixtrans-73.4-20.7-179.7-70.2-11.7000113.5N53 S60N53-N57 WeakPolarHBondContact O-CB 3.11Å; N53-N57 PolarHBondContact O-N 2.85Å; N53-N57 VanDerWaalsContact O-N 3.17Å; N53-N57 PolarHBondContact O-ND2 3.31Å; N57-S60 PolarHBondContact O-OG 2.67Å
58N46.2Very low55.7Low86 Ų8698 Ų9846%0.4655%0.545SS..Hα-helixtrans-83.5-11.6177.4-72.4-15.8000113.1S54 L55 T56 S60 N61S54-N58 VanDerWaalsContact O-CG 3.23Å; S54-N58 PolarHBondContact O-N 3.11Å; S54-N58 PolarHBondContact O-ND2 3.49Å; L55-N58 PolarHBondContact O-N 3.1Å; T56-N58 VanDerWaalsContact C-N 3.3Å; T56-N58 PolarHBondContact O-N 3.12Å; N58-S60 PolarHBondContact O-N 2.78Å; N58-N61 CarbonylContact O-C 3.51Å; N58-N61 VanDerWaalsContact O-C 3.24Å; N58-N61 PolarHBondContact O-N 3.38Å; N58-N61 VanDerWaalsContact O-N 3.09Å
59V45.1Very low52.8Low123 Ų123102.6 Ų102.675%0.74557%0.568SS**THydrogen-bonded Turntrans-67.9-18.6174.6-176.80000111.9T56T56-V59 PolarHBondContact O-N 3.27Å
60S34.7Very low49.8Very low97 Ų97106.3 Ų106.368%0.67859%0.589SS**THydrogen-bonded Turntrans-94-2.3171.853.60000114.6N57 N58N57-S60 PolarHBondContact O-OG 2.67Å; N58-S60 PolarHBondContact O-N 2.78Å
61N30.4Very low46.8Very low122 Ų122107.1 Ų107.165%0.65260%0.595SS**SBendtrans-138.565.1176.2-81.1-41.7000109.3N58 D63N58-N61 CarbonylContact O-C 3.51Å; N58-N61 VanDerWaalsContact O-C 3.24Å; N58-N61 PolarHBondContact O-N 3.38Å; N58-N61 VanDerWaalsContact O-N 3.09Å; N61-D63 VanDerWaalsContact C-N 3.28Å; N61-D63 PolarHBondContact O-N 3.44Å
62A29.2Very low43.9Very low87 Ų87112.5 Ų112.572%0.71962%0.624SS**  trans-71.781.3175.600000110.3
63D31.5Very low41.2Very low160 Ų160114 Ų11486%0.85663%0.633SS**  trans-16729.8165.7-100.9-18.7000114.1N61N61-D63 VanDerWaalsContact C-N 3.28Å; N61-D63 PolarHBondContact O-N 3.44Å
64K32.2Very low38.6Very low194 Ų194116.5 Ų116.584%0.84365%0.646SS**  trans-131.5100.3171.7-70.7-172.1179.9178.10111.5
65N30.6Very low36.5Very low159 Ų159117 Ų11785%0.8565%0.646SS**  trans-41117.2171.6-71.2-28.8000111.6V67N65-V67 PolarHBondContact O-N 2.66Å
66P33.1Very low34.2Very low108 Ų108118.7 Ų118.770%0.70166%0.66SS**  trans-65.7129.7160.228.3-29.1000107I68P66-I68 PolarHBondContact O-N 3.1Å
67V29.7Very low32.4Very low134 Ų134123.1 Ų123.181%0.81268%0.675SS**  trans-57.899.6175.7176.90000107.9N65 I69N65-V67 PolarHBondContact O-N 2.66Å; V67-I69 HydrophobicContact CG1-CG1 4.48Å; V67-I69 PolarHBondContact O-N 2.82Å
68I31.3Very low31.7Very low121 Ų121120.5 Ų120.562%0.62167%0.665SS**  trans-66.8109.4168.1-60.1174.3000104.9P66 D70P66-I68 PolarHBondContact O-N 3.1Å; I68-D70 HydrophobicContact CG2-CB 4.18Å; I68-D70 VanDerWaalsContact CG2-CG 3.43Å; I68-D70 WeakPolarHBondContact CG2-OD1 3.25Å; I68-D70 PolarHBondContact O-N 2.94Å
69I32.7Very low31.1Very low97 Ų97125 Ų12550%0.49769%0.689SS.*  trans-75.781.6165.1-59.4175.7000105.7V67 E71V67-I69 HydrophobicContact CG1-CG1 4.48Å; V67-I69 PolarHBondContact O-N 2.82Å; I69-E71 HydrophobicContact CG2-CB 3.75Å; I69-E71 HydrophobicContact CG2-CG 3.83Å; I69-E71 PolarHBondContact O-N 3.33Å; I69-E71 VanDerWaalsContact O-N 3.12Å
70D28.9Very low30.5Very low112 Ų112122.4 Ų122.460%0.59968%0.676SS**  trans-75.145162.1-88.5-22.5000109.4I68 L72I68-D70 HydrophobicContact CG2-CB 4.18Å; I68-D70 VanDerWaalsContact CG2-CG 3.43Å; I68-D70 WeakPolarHBondContact CG2-OD1 3.25Å; I68-D70 PolarHBondContact O-N 2.94Å; D70-L72 VanDerWaalsContact C-N 3.32Å; D70-L72 PolarHBondContact O-N 3.38Å
71E28.7Very low30.5Very low166 Ų166127.2 Ų127.278%0.77668%0.679SS**  trans-77.490.5169-82.7-176.7152.700108.7I69 I73I69-E71 HydrophobicContact CG2-CB 3.75Å; I69-E71 HydrophobicContact CG2-CG 3.83Å; I69-E71 PolarHBondContact O-N 3.33Å; I69-E71 VanDerWaalsContact O-N 3.12Å; E71-I73 PolarHBondContact O-N 2.99Å
72L28.3Very low30.5Very low147 Ų147127.2 Ų127.277%0.7767%0.67SS**SBendtrans5358160.3-78.6147.8000114.9D70D70-L72 VanDerWaalsContact C-N 3.32Å; D70-L72 PolarHBondContact O-N 3.38Å
73I29.6Very low30.9Very low81 Ų81123.9 Ų123.942%0.41564%0.639SS.*  -106.7110.4128.2-48.7177000103.7E71 V75 T126E71-I73 PolarHBondContact O-N 2.99Å; I73-V75 HydrophobicContact CB-CG2 3.93Å; I73-V75 HydrophobicContact CG2-CG2 3.31Å; I73-V75 PolarHBondContact O-N 3.31Å; I73-T126 HydrophobicContact CG2-CG2 4.19Å
74N25.4Very low31.1Very low138 Ų138118 Ų11874%0.73861%0.606SS**  trans-6371164-89.8-16.9000108.1T76N74-T76 VanDerWaalsContact C-N 3.32Å; N74-T76 PolarHBondContact O-N 3.49Å
75V30.8Very low31.3Very low69 Ų69111.5 Ų111.542%0.41858%0.578SS.*  trans-89.288.6158.2-170.20000103.2I73 Q77I73-V75 HydrophobicContact CB-CG2 3.93Å; I73-V75 HydrophobicContact CG2-CG2 3.31Å; I73-V75 PolarHBondContact O-N 3.31Å; V75-Q77 PolarHBondContact O-N 3.48Å
76T27.7Very low31.6Very low105 Ų105107 Ų10764%0.64455%0.554SS**  trans-37.7120.3164.244.30000108.3N74 S78N74-T76 VanDerWaalsContact C-N 3.32Å; N74-T76 PolarHBondContact O-N 3.49Å; T76-S78 PolarHBondContact O-N 2.97Å
77Q27.7Very low31.6Very low174 Ų174103.2 Ų103.281%0.81353%0.529SS*.  trans-60.382.3165.6-71.6178.1-4.100107.1V75V75-Q77 PolarHBondContact O-N 3.48Å
78S32.6Very low31.9Very low50 Ų50100.4 Ų100.435%0.3550%0.503SS..  trans-115.7131.1164.666.20000107.3T76 S80T76-S78 PolarHBondContact O-N 2.97Å; S78-S80 PolarHBondContact O-N 2.99Å; S78-S80 PolarHBondContact OG-OG 3.44Å
79D32.3Very low32.1Very low181 Ų181101 Ų10197%0.96850%0.499SS*.  trans-66.340.5174.8-78.3-41.9000112.6
80S33.6Very low32.3Very low68 Ų6898.6 Ų98.648%0.47649%0.49SS..  trans-126.2133.3-173.261.60000112.2S78 R82S78-S80 PolarHBondContact O-N 2.99Å; S78-S80 PolarHBondContact OG-OG 3.44Å; S80-R82 WeakPolarHBondContact O-CG 3.39Å
81R33.5Very low32.8Very low198 Ų19898.4 Ų98.475%0.74750%0.495SS*.  trans-33137.2-178.3-56.6174.1-172.4-179.6-0.5115.1
82R32.4Very low33.3Very low122 Ų12294.9 Ų94.946%0.4649%0.489SS..  trans-132.2113.7-159.3-79.5-167.7-171.4-174.71112.2S80 S129S80-R82 WeakPolarHBondContact O-CG 3.39Å; R82-S129 WeakPolarHBondContact CA-OG 3.45Å; R82-S129 VanDerWaalsContact CB-CB 3.4Å; R82-S129 VanDerWaalsContact CB-OG 3.25Å; R82-S129 WeakPolarHBondContact CB-OG 3.45Å; R82-S129 PolarHBondContact O-OG 3.04Å
83R35.9Very low34Very low18 Ų1892.3 Ų92.37%0.06848%0.476CS..  trans-120.9118.4174.6-101.9-165.5-106.6-159.1-2.7117.1F85 Y128 S129 K130 D131 Y132 Y133 P409R83-F85 HydrophobicContact CB-CE2 4.37Å; R83-F85 WeakPolarHBondContact O-CD2 3.49Å; R83-F85 PolarHBondContact O-N 3.17Å; R83-Y128 VanDerWaalsContact O-O 3.05Å; R83-S129 VanDerWaalsContact C-OG 3.31Å; R83-S129 WeakPolarHBondContact CA-OG 3.36Å; R83-S129 PolarHBondContact N-O 3.33Å; R83-S129 PolarHBondContact N-OG 3.16Å; R83-S129 CarbonylContact O-C 3.6Å; R83-S129 WeakPolarHBondContact O-CA 2.91Å; R83-K130 WeakPolarHBondContact CB-O 2.94Å; R83-K130 CarbonylContact O-C 3.52Å; R83-K130 PolarHBondContact O-N 2.66Å; R83-D131 IonicContact CZ-OD1 3.22Å; R83-D131 IonicContact NE-OD1 2.6Å; R83-D131 PolarHBondContact NE-OD1 2.84Å; R83-D131 IonicContact NH2-OD1 3.43Å; R83-D131 PolarHBondContact NH2-OD1 3.09Å; R83-Y132 VanDerWaalsContact CD-N 3.3Å; R83-Y132 VanDerWaalsContact CZ-N 3.25Å; R83-Y132 VanDerWaalsContact NH1-N 3.16Å; R83-Y132 PolarHBondContact NH1-O 3.19Å; R83-Y133 VanDerWaalsContact NH2-CD2 3.31Å; R83-P409 HydrophobicContact CG-CB 4.08Å
84Q35.5Very low34.6Very low35 Ų3597.8 Ų97.816%0.16450%0.5CS..EExtended strand (participates in β ladder)trans-78.4118.3-167-66.4171.4-7.500117.6Y128 S129 I404 P405Q84-Y128 CarbonylContact C-O 3.51Å; Q84-Y128 WeakPolarHBondContact CA-O 3.43Å; Q84-S129 VanDerWaalsContact CG-OG 3.3Å; Q84-S129 WeakPolarHBondContact CG-OG 3.49Å; Q84-S129 PolarHBondContact N-OG 2.98Å; Q84-I404 VanDerWaalsContact OE1-CG2 3.31Å; Q84-P405 PolarHBondContact NE2-O 3.42Å; Q84-P405 PolarHBondContact OE1-O 3.22Å
85F36.9Very low35.3Very low59 Ų5996.6 Ų96.626%0.25950%0.498SS..EExtended strand (participates in β ladder)trans-118.4148.7170.1-74.8-81.3000112R83 T87 F127 Y128 K130 Y132R83-F85 HydrophobicContact CB-CE2 4.37Å; R83-F85 WeakPolarHBondContact O-CD2 3.49Å; R83-F85 PolarHBondContact O-N 3.17Å; F85-T87 HydrophobicContact CB-CG2 3.63Å; F85-T87 PolarHBondContact O-N 3.24Å; F85-F127 CarbonylContact O-C 3.54Å; F85-F127 WeakPolarHBondContact O-CA 3.43Å; F85-Y128 PolarHBondContact N-O 3.43Å; F85-Y128 PolarHBondContact O-N 3.04Å; F85-K130 WeakPolarHBondContact CD2-O 3.38Å; F85-K130 WeakPolarHBondContact CE2-O 3.46Å; F85-Y132 HydrophobicContact CE1-CG 4.29Å; F85-Y132 HydrophobicContact CZ-CD1 4.38Å; F85-Y132 AromaticContact CZ-CG 3.82Å; F85-Y132 HydrophobicContact CZ-CG 3.82Å
86L36.3Very low35.7Very low65 Ų6597.7 Ų97.734%0.3450%0.5SS..EExtended strand (participates in β ladder)trans-85101.9161.2-157.391.4000106.8M1 F125 F127M1-L86 HydrophobicContact CE-CD1 3.69Å; M1-L86 HydrophobicContact CE-CD2 3.87Å; M1-L86 HydrophobicContact CE-CG 4.4Å; M1-L86 HydrophobicContact SD-CD1 4.32Å; L86-F125 HydrophobicContact CD1-CB 4.14Å; L86-F125 HydrophobicContact CD2-CD1 3.61Å; L86-F125 HydrophobicContact CD2-CE1 4.14Å; L86-F125 HydrophobicContact CD2-CG 4.19Å; L86-F125 HydrophobicContact CG-CB 4.19Å; L86-F125 HydrophobicContact CG-CD1 3.86Å; L86-F125 HydrophobicContact CG-CG 4.34Å; L86-F127 HydrophobicContact CD1-CD1 3.97Å; L86-F127 HydrophobicContact CD1-CD2 4.44Å; L86-F127 HydrophobicContact CD1-CE1 3.49Å; L86-F127 VanDerWaalsContact CD1-CE1 3.49Å; L86-F127 HydrophobicContact CD1-CE2 3.99Å; L86-F127 HydrophobicContact CD1-CG 4.43Å; L86-F127 HydrophobicContact CD1-CZ 3.49Å; L86-F127 VanDerWaalsContact CD1-CZ 3.49Å
87T34.5Very low36.1Very low28 Ų2899 Ų9917%0.17250%0.502CS..EExtended strand (participates in β ladder)trans-120.6150.2173.477.40000109.8F85 M96 Y128F85-T87 HydrophobicContact CB-CG2 3.63Å; F85-T87 PolarHBondContact O-N 3.24Å; T87-M96 HydrophobicContact CG2-SD 4.06Å; T87-Y128 WeakPolarHBondContact OG1-CD2 3.25Å; T87-Y128 WeakPolarHBondContact OG1-CE2 3.42Å
88R35.2Very low36.7Very low74 Ų7494.7 Ų94.728%0.27949%0.488SS..  trans-67138.6162.1-66.4-170.8-164.7177.97.5107.2E103 F125R88-E103 IonicContact CZ-OE2 3.75Å; R88-E103 IonicContact NH2-OE1 3.71Å; R88-E103 IonicContact NH2-OE2 2.84Å; R88-E103 PolarHBondContact NH2-OE2 3.48Å; R88-F125 HydrophobicContact CG-CE1 4.35Å
89Y36.1Very low37Very low135 Ų13598.8 Ų98.853%0.52951%0.505SS..  trans-88.8115.2168.5-176.6-116.5000108.5P91 Y128Y89-P91 HydrophobicContact CD1-CG 4.34Å; Y89-P91 HydrophobicContact CE1-CG 3.73Å; Y89-Y128 WeakPolarHBondContact CB-OH 3.5Å; Y89-Y128 HydrophobicContact CD2-CE1 4.37Å; Y89-Y128 HydrophobicContact CD2-CE2 4.45Å; Y89-Y128 AromaticContact CD2-CZ 3.68Å; Y89-Y128 WeakPolarHBondContact CD2-OH 3.44Å
90S37.5Very low37.5Very low45 Ų4595.3 Ų95.332%0.31549%0.486SS..  trans-118.7122.3160.2-170.50000107.9S92 D93S90-S92 PolarHBondContact O-N 2.98Å; S90-S92 PolarHBondContact OG-OG 3.23Å; S90-S92 VanDerWaalsContact OG-OG 3.06Å; S90-D93 WeakPolarHBondContact CB-OD2 3.39Å; S90-D93 PolarHBondContact O-N 3.05Å
91P37.7Very low37.7Very low108 Ų10897.4 Ų97.470%0.70149%0.491SS*.THydrogen-bonded Turntrans-58.7-11.9177.1-22.330.9000114.7Y89Y89-P91 HydrophobicContact CD1-CG 4.34Å; Y89-P91 HydrophobicContact CE1-CG 3.73Å
92S40.1Very low38.2Very low92 Ų9294.9 Ų94.964%0.64349%0.493SS*.THydrogen-bonded Turntrans-101.8-8-176.659.40000115.6S90 E94S90-S92 PolarHBondContact O-N 2.98Å; S90-S92 PolarHBondContact OG-OG 3.23Å; S90-S92 VanDerWaalsContact OG-OG 3.06Å; S92-E94 PolarHBondContact O-N 3.24Å
93D42.9Very low38.5Very low94 Ų9493.3 Ų93.350%0.50349%0.491SS..  trans-92.296.2-172.1-71.3-13.8000111.7S90 T95S90-D93 WeakPolarHBondContact CB-OD2 3.39Å; S90-D93 PolarHBondContact O-N 3.05Å; D93-T95 PolarHBondContact O-N 3.08Å
94E41.5Very low38.8Very low196 Ų19697.2 Ų97.292%0.91651%0.509SS*.SBendtrans-73.2-11.9171.2-69-171160.400113S92S92-E94 PolarHBondContact O-N 3.24Å
95T41.6Very low39Very low112 Ų112102.8 Ų102.869%0.68754%0.536SS*.SBendtrans-126110.6-177.553.90000111.4D93 D97D93-T95 PolarHBondContact O-N 3.08Å; T95-D97 PolarHBondContact O-N 3.23Å
96M37.8Very low39Very low93 Ų93104.2 Ų104.246%0.45855%0.552SS.*  trans-78.3107.1175.1-77.7-81.1147.600110.3T87 T98T87-M96 HydrophobicContact CG2-SD 4.06Å; M96-T98 PolarHBondContact O-N 2.99Å
97D36.5Very low39.2Very low131 Ų131105.3 Ų105.370%0.70157%0.565SS**  trans-70.6108.6170.8-95.5-25.9000110.6T95 I99T95-D97 PolarHBondContact O-N 3.23Å; D97-I99 PolarHBondContact O-N 2.61Å; D97-I99 VanDerWaalsContact O-N 3.14Å
98T40Very low39.5Very low85 Ų85110.5 Ų110.552%0.52160%0.596SS.*THydrogen-bonded Turntrans-74.55.9-179.5510000113.9M96 Y132M96-T98 PolarHBondContact O-N 2.99Å; T98-Y132 HydrophobicContact CG2-CD2 4.09Å; T98-Y132 HydrophobicContact CG2-CE2 3.66Å
99I40Very low39.8Very low136 Ų136112.7 Ų112.770%0.69761%0.61SS**THydrogen-bonded Turntrans-89.7-5.9-174-59.9173.5000112.2D97 L101D97-I99 PolarHBondContact O-N 2.61Å; D97-I99 VanDerWaalsContact O-N 3.14Å; I99-L101 PolarHBondContact O-N 2.71Å
100N41.6Very low40Very low108 Ų108115 Ų11558%0.57863%0.63SS**  trans-82.831.9-173.4-117.4-24.6000115.7N102N100-N102 PolarHBondContact O-N 3.07Å; N100-N102 VanDerWaalsContact O-N 3.1Å
101L39.5Very low40.2Very low111 Ų111114.9 Ų114.958%0.58163%0.626SS**THydrogen-bonded Turntrans-69.32.2173.7-86.4155.7000113.8I99I99-L101 PolarHBondContact O-N 2.71Å
102N43.1Very low40.3Very low145 Ų145112.4 Ų112.478%0.77561%0.611SS**THydrogen-bonded Turntrans-123.8-1.6-167.1-78.3-30.5000116.6N100 F104N100-N102 PolarHBondContact O-N 3.07Å; N100-N102 VanDerWaalsContact O-N 3.1Å; N102-F104 VanDerWaalsContact C-N 3.31Å; N102-F104 PolarHBondContact O-N 3.31Å
103E39.4Very low40.2Very low89 Ų89115 Ų11542%0.41661%0.613SS.*  trans-85.972.4-179-96.7-166157.100113.2R88R88-E103 IonicContact CZ-OE2 3.75Å; R88-E103 IonicContact NH2-OE1 3.71Å; R88-E103 IonicContact NH2-OE2 2.84Å; R88-E103 PolarHBondContact NH2-OE2 3.48Å
104F40.4Very low40.2Very low101 Ų101117.3 Ų117.344%0.44363%0.625SS.*  trans-107.691.6147.5-158.6-87.1000108N102 I311N102-F104 VanDerWaalsContact C-N 3.31Å; N102-F104 PolarHBondContact O-N 3.31Å; F104-I311 HydrophobicContact CE1-CD1 4.44Å; F104-I311 HydrophobicContact CE1-CG1 3.98Å; F104-I311 HydrophobicContact CE2-CD1 3.86Å; F104-I311 HydrophobicContact CE2-CG1 4.28Å; F104-I311 HydrophobicContact CZ-CD1 3.39Å; F104-I311 HydrophobicContact CZ-CG1 3.38Å
105M40.8Very low40.3Very low151 Ų151112.3 Ų112.374%0.74460%0.602SS**  trans-88.9116.1170.8-71.3-154.973.900109.2S107M105-S107 PolarHBondContact O-N 3.49Å
106P37.4Very low40.3Very low90 Ų90110.4 Ų110.458%0.58459%0.586SS**  trans-65131.2172.727.2-31000109.2T108P106-T108 PolarHBondContact O-N 2.67Å
107S38.9Very low40.7Very low88 Ų88114.3 Ų114.362%0.61560%0.597SS**  trans-63101175.3410000110M105M105-S107 PolarHBondContact O-N 3.49Å
108T41.4Very low41.2Very low136 Ų136113.1 Ų113.183%0.83459%0.594SS**  trans-94.36.3169.939.80000112.3P106P106-T108 PolarHBondContact O-N 2.67Å
109E42.1Very low41.4Very low121 Ų121113.6 Ų113.657%0.56559%0.587SS**SBendtrans-122.6137.7-178.1-66.4178166.300111I111 R119E109-I111 HydrophobicContact CB-CG1 4.43Å; E109-I111 PolarHBondContact O-N 3.34Å; E109-R119 IonicContact OE2-CZ 2.79Å; E109-R119 IonicContact OE2-NH1 3.77Å; E109-R119 IonicContact OE2-NH2 2.84Å; E109-R119 PolarHBondContact OE2-NH2 3.15Å
110L40Very low41.6Very low183 Ų183114.5 Ų114.596%0.95859%0.588SS**  trans-73.5115.8164-80.2163.7000107.7
111I41.4Very low41.7Very low43 Ų43110.7 Ų110.722%0.22157%0.569CS.*  trans-107.2128.6-179.3-57169.9000107.3E109 E115 M116 R119E109-I111 HydrophobicContact CB-CG1 4.43Å; E109-I111 PolarHBondContact O-N 3.34Å; I111-E115 HydrophobicContact CG2-CB 3.43Å; I111-E115 VanDerWaalsContact CG2-CB 3.43Å; I111-M116 HydrophobicContact CG2-CG 4.01Å; I111-R119 VanDerWaalsContact CD1-CZ 3.47Å; I111-R119 VanDerWaalsContact CD1-NH1 3.32Å
112S39.3Very low41.9Very low56 Ų56108.1 Ų108.139%0.39256%0.556SS.*  trans-69.4155.7174.665.30000111.4N114 E115 M116S112-N114 PolarHBondContact O-N 2.89Å; S112-N114 VanDerWaalsContact O-N 3.14Å; S112-E115 PolarHBondContact N-OE2 3.47Å; S112-E115 PolarHBondContact O-N 3.22Å; S112-E115 VanDerWaalsContact OG-CD 3.31Å; S112-E115 VanDerWaalsContact OG-CG 3.3Å; S112-E115 WeakPolarHBondContact OG-CG 3.41Å; S112-E115 PolarHBondContact OG-N 3.46Å; S112-E115 PolarHBondContact OG-OE2 3.23Å; S112-M116 PolarHBondContact O-N 2.85Å; S112-M116 VanDerWaalsContact O-N 3.08Å
113E39.8Very low41.8Very low147 Ų147104.5 Ų104.569%0.68754%0.539SS*.THydrogen-bonded Turntrans-55.8-32178.1-169.6175.1-171.100112.1Y117E113-Y117 WeakPolarHBondContact O-CD2 3.49Å
114N41.1Very low41.9Very low141 Ų141106.5 Ų106.575%0.75455%0.553SS**THydrogen-bonded Turntrans-71.4-28.7175.5-69.1-11.2000113.2S112 T118S112-N114 PolarHBondContact O-N 2.89Å; S112-N114 VanDerWaalsContact O-N 3.14Å; N114-T118 WeakPolarHBondContact O-CG2 3.35Å
115E43.9Very low42.1Very low92 Ų92103.4 Ų103.443%0.4354%0.539SS..THydrogen-bonded Turntrans-85.4-24.7179-74167.2145.900112.4I111 S112 Y117 T118I111-E115 HydrophobicContact CG2-CB 3.43Å; I111-E115 VanDerWaalsContact CG2-CB 3.43Å; S112-E115 PolarHBondContact N-OE2 3.47Å; S112-E115 PolarHBondContact O-N 3.22Å; S112-E115 VanDerWaalsContact OG-CD 3.31Å; S112-E115 VanDerWaalsContact OG-CG 3.3Å; S112-E115 WeakPolarHBondContact OG-CG 3.41Å; S112-E115 PolarHBondContact OG-N 3.46Å; S112-E115 PolarHBondContact OG-OE2 3.23Å; E115-Y117 PolarHBondContact O-N 2.91Å; E115-Y117 VanDerWaalsContact O-N 3.14Å; E115-T118 PolarHBondContact O-N 3.03Å; E115-T118 VanDerWaalsContact O-N 3.11Å; E115-T118 PolarHBondContact O-OG1 3Å
116M42.6Very low41.9Very low72 Ų7297.6 Ų97.636%0.35551%0.512SS..THydrogen-bonded Turntrans-57.6-27.3179.7-85.9-157150.400114.1I111 S112 D122I111-M116 HydrophobicContact CG2-CG 4.01Å; S112-M116 PolarHBondContact O-N 2.85Å; S112-M116 VanDerWaalsContact O-N 3.08Å; M116-D122 WeakPolarHBondContact O-CB 3.23Å
117Y45.7Very low41.9Very low175 Ų17595.1 Ų95.169%0.68649%0.493SS*.THydrogen-bonded Turntrans-98.4-0-178-61.7-74.8000113.8E113 E115E113-Y117 WeakPolarHBondContact O-CD2 3.49Å; E115-Y117 PolarHBondContact O-N 2.91Å; E115-Y117 VanDerWaalsContact O-N 3.14Å
118T46.8Very low41.7Very low105 Ų10593.4 Ų93.464%0.64447%0.473SS*.THydrogen-bonded Turntrans-101.8-15.5-173.661.60000114.1N114 E115N114-T118 WeakPolarHBondContact O-CG2 3.35Å; E115-T118 PolarHBondContact O-N 3.03Å; E115-T118 VanDerWaalsContact O-N 3.11Å; E115-T118 PolarHBondContact O-OG1 3Å
119R44.2Very low41.3Very low95 Ų9588.4 Ų88.436%0.35844%0.444SS..SBendtrans-82.8133.6-179.8-59-178.2174.3-162.1-4.8109.9E109 I111 C121 D122E109-R119 IonicContact OE2-CZ 2.79Å; E109-R119 IonicContact OE2-NH1 3.77Å; E109-R119 IonicContact OE2-NH2 2.84Å; E109-R119 PolarHBondContact OE2-NH2 3.15Å; I111-R119 VanDerWaalsContact CD1-CZ 3.47Å; I111-R119 VanDerWaalsContact CD1-NH1 3.32Å; R119-C121 PolarHBondContact O-N 2.79Å; R119-C121 VanDerWaalsContact O-N 3.09Å; R119-D122 HydrophobicContact CB-CB 4.37Å; R119-D122 WeakPolarHBondContact CB-OD2 3.44Å; R119-D122 PolarHBondContact O-N 2.84Å
120E43.6Very low40.9Very low155 Ų15589 Ų8972%0.72444%0.444SS*.G310 helixtrans-56.2-28.7174.5-70.2-177.9165.500112.7D122 T123E120-D122 VanDerWaalsContact C-N 3.25Å; E120-D122 PolarHBondContact O-N 2.79Å; E120-T123 PolarHBondContact O-N 2.89Å; E120-T123 PolarHBondContact O-OG1 2.81Å
121C45.2Very low40.5Very low28 Ų2884.7 Ų84.719%0.18942%0.422CS..G310 helixtrans-75.9-13.317868.90000113.9R2 R119 F125R2-C121 VanDerWaalsContact CZ-O 3.23Å; R2-C121 PolarHBondContact NH1-O 3.41Å; R2-C121 PolarHBondContact NH1-SG 2.68Å; R2-C121 VanDerWaalsContact NH1-SG 3.38Å; R119-C121 PolarHBondContact O-N 2.79Å; R119-C121 VanDerWaalsContact O-N 3.09Å; C121-F125 WeakPolarHBondContact O-CE2 3.46Å
122D42.6Very low40.2Very low58 Ų5886.4 Ų86.431%0.3143%0.427SS..G310 helixtrans-98.6-1.9178-63.3-34000112.6R2 M116 R119 E120R2-D122 IonicContact NH1-OD1 3.42Å; R2-D122 PolarHBondContact NH1-OD1 2.8Å; M116-D122 WeakPolarHBondContact O-CB 3.23Å; R119-D122 HydrophobicContact CB-CB 4.37Å; R119-D122 WeakPolarHBondContact CB-OD2 3.44Å; R119-D122 PolarHBondContact O-N 2.84Å; E120-D122 VanDerWaalsContact C-N 3.25Å; E120-D122 PolarHBondContact O-N 2.79Å
123T42.1Very low39.8Very low68 Ų6892.2 Ų92.242%0.41744%0.441SS..SBendtrans-60.7147.8165.262.20000111.1E120 F125E120-T123 PolarHBondContact O-N 2.89Å; E120-T123 PolarHBondContact O-OG1 2.81Å; T123-F125 PolarHBondContact O-N 2.77Å; T123-F125 VanDerWaalsContact O-N 3.1Å
124D41.5Very low39.4Very low131 Ų13186.7 Ų86.770%0.70142%0.424SS*.  trans-56.8116.8-173.2-84.9-42.4000112.4T126D124-T126 PolarHBondContact O-N 3.41Å; D124-T126 PolarHBondContact O-OG1 3.17Å
125F43.2Very low38.9Very low36 Ų3688.3 Ų88.316%0.15843%0.429CS..  trans-63.3109.6164.4-65.7-87.4000108.6M1 R2 L86 R88 C121 T123M1-F125 HydrophobicContact CE-CB 4.4Å; M1-F125 HydrophobicContact CE-CG 4.41Å; R2-F125 HydrophobicContact CG-CE2 3.92Å; R2-F125 VanDerWaalsContact NE-CE2 3.33Å; L86-F125 HydrophobicContact CD1-CB 4.14Å; L86-F125 HydrophobicContact CD2-CD1 3.61Å; L86-F125 HydrophobicContact CD2-CE1 4.14Å; L86-F125 HydrophobicContact CD2-CG 4.19Å; L86-F125 HydrophobicContact CG-CB 4.19Å; L86-F125 HydrophobicContact CG-CD1 3.86Å; L86-F125 HydrophobicContact CG-CG 4.34Å; R88-F125 HydrophobicContact CG-CE1 4.35Å; C121-F125 WeakPolarHBondContact O-CE2 3.46Å; T123-F125 PolarHBondContact O-N 2.77Å; T123-F125 VanDerWaalsContact O-N 3.1Å
126T37.1Very low38.4Very low29 Ų2988.5 Ų88.518%0.17843%0.432CS..EExtended strand (participates in β ladder)trans-93.7132.1172.37.80000107.8I73 D124 Y128I73-T126 HydrophobicContact CG2-CG2 4.19Å; D124-T126 PolarHBondContact O-N 3.41Å; D124-T126 PolarHBondContact O-OG1 3.17Å; T126-Y128 VanDerWaalsContact O-CD2 3.23Å; T126-Y128 WeakPolarHBondContact O-CD2 3.36Å; T126-Y128 PolarHBondContact O-N 2.84Å; T126-Y128 WeakPolarHBondContact OG1-CE2 3.43Å; T126-Y128 PolarHBondContact OG1-OH 2.78Å
127F37.9Very low37.8Very low39 Ų3993 Ų9317%0.17145%0.45CS..EExtended strand (participates in β ladder)trans-78.8104.9173.8-71.8-97.2000107.3M1 F85 L86 I404 L437 I439M1-F127 HydrophobicContact SD-CE2 4.09Å; M1-F127 HydrophobicContact SD-CZ 3.79Å; F85-F127 CarbonylContact O-C 3.54Å; F85-F127 WeakPolarHBondContact O-CA 3.43Å; L86-F127 HydrophobicContact CD1-CD1 3.97Å; L86-F127 HydrophobicContact CD1-CD2 4.44Å; L86-F127 HydrophobicContact CD1-CE1 3.49Å; L86-F127 VanDerWaalsContact CD1-CE1 3.49Å; L86-F127 HydrophobicContact CD1-CE2 3.99Å; L86-F127 HydrophobicContact CD1-CG 4.43Å; L86-F127 HydrophobicContact CD1-CZ 3.49Å; L86-F127 VanDerWaalsContact CD1-CZ 3.49Å; F127-I404 HydrophobicContact CB-CD1 3.93Å; F127-I404 HydrophobicContact CD1-CD1 3.48Å; F127-I404 VanDerWaalsContact CD1-CD1 3.48Å; F127-I404 HydrophobicContact CD2-CD1 3.35Å; F127-I404 HydrophobicContact CE1-CD1 3.71Å; F127-I404 HydrophobicContact CE2-CD1 3.6Å; F127-I404 HydrophobicContact CG-CD1 3.29Å; F127-I404 HydrophobicContact CZ-CD1 3.77Å; F127-L437 HydrophobicContact CE1-CD2 3.79Å; F127-L437 HydrophobicContact CZ-CD2 4.43Å; F127-I439 HydrophobicContact CD2-CD1 4.33Å; F127-I439 HydrophobicContact CE1-CG2 4.34Å; F127-I439 HydrophobicContact CE2-CD1 3.7Å; F127-I439 HydrophobicContact CE2-CG2 4.27Å; F127-I439 HydrophobicContact CZ-CD1 4.27Å; F127-I439 HydrophobicContact CZ-CG2 3.73Å
128Y34.8Very low37.1Very low51 Ų5193.2 Ų93.220%0.246%0.457CS..EExtended strand (participates in β ladder)trans-94.1134-178.7-77.9-76.7000111R83 Q84 F85 T87 Y89 T126 K130R83-Y128 VanDerWaalsContact O-O 3.05Å; Q84-Y128 CarbonylContact C-O 3.51Å; Q84-Y128 WeakPolarHBondContact CA-O 3.43Å; F85-Y128 PolarHBondContact N-O 3.43Å; F85-Y128 PolarHBondContact O-N 3.04Å; T87-Y128 WeakPolarHBondContact OG1-CD2 3.25Å; T87-Y128 WeakPolarHBondContact OG1-CE2 3.42Å; Y89-Y128 WeakPolarHBondContact CB-OH 3.5Å; Y89-Y128 HydrophobicContact CD2-CE1 4.37Å; Y89-Y128 HydrophobicContact CD2-CE2 4.45Å; Y89-Y128 AromaticContact CD2-CZ 3.68Å; Y89-Y128 WeakPolarHBondContact CD2-OH 3.44Å; T126-Y128 VanDerWaalsContact O-CD2 3.23Å; T126-Y128 WeakPolarHBondContact O-CD2 3.36Å; T126-Y128 PolarHBondContact O-N 2.84Å; T126-Y128 WeakPolarHBondContact OG1-CE2 3.43Å; T126-Y128 PolarHBondContact OG1-OH 2.78Å; Y128-K130 PolarHBondContact O-N 2.79Å
129S32Very low36.4Very low31 Ų3194.8 Ų94.822%0.21746%0.461CS..EExtended strand (participates in β ladder)trans-9085.7167.8-1320000111.7R82 R83 Q84R82-S129 WeakPolarHBondContact CA-OG 3.45Å; R82-S129 VanDerWaalsContact CB-CB 3.4Å; R82-S129 VanDerWaalsContact CB-OG 3.25Å; R82-S129 WeakPolarHBondContact CB-OG 3.45Å; R82-S129 PolarHBondContact O-OG 3.04Å; R83-S129 VanDerWaalsContact C-OG 3.31Å; R83-S129 WeakPolarHBondContact CA-OG 3.36Å; R83-S129 PolarHBondContact N-O 3.33Å; R83-S129 PolarHBondContact N-OG 3.16Å; R83-S129 CarbonylContact O-C 3.6Å; R83-S129 WeakPolarHBondContact O-CA 2.91Å; Q84-S129 VanDerWaalsContact CG-OG 3.3Å; Q84-S129 WeakPolarHBondContact CG-OG 3.49Å; Q84-S129 PolarHBondContact N-OG 2.98Å
130K34.8Very low35.9Very low134 Ų13493.2 Ų93.258%0.58348%0.475SS*.  trans-131.9150.7175.2-100.9-176.4173.4-178.70116.2R83 F85 Y128R83-K130 WeakPolarHBondContact CB-O 2.94Å; R83-K130 CarbonylContact O-C 3.52Å; R83-K130 PolarHBondContact O-N 2.66Å; F85-K130 WeakPolarHBondContact CD2-O 3.38Å; F85-K130 WeakPolarHBondContact CE2-O 3.46Å; Y128-K130 PolarHBondContact O-N 2.79Å
131D30.5Very low35.3Very low93 Ų9393.2 Ų93.250%0.49748%0.48SS..  trans-68.9136.2-166.2-67.2-59.1000118.8R83R83-D131 IonicContact CZ-OD1 3.22Å; R83-D131 IonicContact NE-OD1 2.6Å; R83-D131 PolarHBondContact NE-OD1 2.84Å; R83-D131 IonicContact NH2-OD1 3.43Å; R83-D131 PolarHBondContact NH2-OD1 3.09Å
132Y35.1Very low34.8Very low79 Ų7998.3 Ų98.331%0.3151%0.506SS..  trans-138.9101169.4-169.7-104.1000113.4R83 F85 T98R83-Y132 VanDerWaalsContact CD-N 3.3Å; R83-Y132 VanDerWaalsContact CZ-N 3.25Å; R83-Y132 VanDerWaalsContact NH1-N 3.16Å; R83-Y132 PolarHBondContact NH1-O 3.19Å; F85-Y132 HydrophobicContact CE1-CG 4.29Å; F85-Y132 HydrophobicContact CZ-CD1 4.38Å; F85-Y132 AromaticContact CZ-CG 3.82Å; F85-Y132 HydrophobicContact CZ-CG 3.82Å; T98-Y132 HydrophobicContact CG2-CD2 4.09Å; T98-Y132 HydrophobicContact CG2-CE2 3.66Å
133Y31.4Very low34.7Very low177 Ų177101.8 Ų101.869%0.69453%0.534SS*.  trans-86.4100.1160.5-81.4-87.9000106.5R83R83-Y133 VanDerWaalsContact NH2-CD2 3.31Å
134G31.9Very low34.5Very low32 Ų32103 Ų10333%0.3355%0.546SS..  trans-143.1130.7173.800000111.1
135M30Very low34.4Very low174 Ų17498.5 Ų98.586%0.85753%0.53SS*.SBendtrans85.25.5-170.8-56.8-76.181.500118.3K137M135-K137 PolarHBondContact O-N 2.97Å
136I32.6Very low34.7Very low97 Ų9799.6 Ų99.650%0.49754%0.537SS..  trans-84.393.7149.3-53.7177.4000105.5E138I136-E138 PolarHBondContact O-N 3.47Å
137K30.4Very low35.2Very low166 Ų166106 Ų10672%0.72257%0.565SS**  trans-63.2116.6147.4-78.2-171.8176.3-175.50104.2M135 D139M135-K137 PolarHBondContact O-N 2.97Å; K137-D139 PolarHBondContact O-N 3.46Å
138E31.2Very low36.2Very low180 Ų180108.3 Ų108.384%0.84159%0.586SS**  trans-6276160.7-68.9-177.9160.400107.3I136 G140I136-E138 PolarHBondContact O-N 3.47Å; E138-G140 VanDerWaalsContact C-N 3.33Å; E138-G140 PolarHBondContact O-N 2.82Å
139D33.5Very low38.1Very low137 Ų137107 Ų10773%0.73358%0.582SS**  trans-73.3105.3150.4-74.1-21.8000103.7K137K137-D139 PolarHBondContact O-N 3.46Å
140G31.7Very low40.6Very low63 Ų63111.2 Ų111.265%0.64960%0.597SS**SBendtrans-49.4142.5-172.400000112.8E138E138-G140 VanDerWaalsContact C-N 3.33Å; E138-G140 PolarHBondContact O-N 2.82Å
141N31.7Very low43.1Very low154 Ų154106.8 Ų106.882%0.82458%0.581SS**SBendtrans98.3116176.8-55.1-27.9000114.7
142D35.6Very low46Very low136 Ų136105.2 Ų105.273%0.72757%0.572SS**  trans99.855.7166.9-58.3-19.5000118.4S144D142-S144 PolarHBondContact O-N 3.28Å; D142-S144 PolarHBondContact OD1-OG 3.4Å
143S40.3Very low48.7Very low131 Ų131105 Ų10592%0.91658%0.579SS**THydrogen-bonded Turntrans-715.1152.461.90000113.4
144S37.5Very low51.4Low94 Ų9498.2 Ų98.266%0.65755%0.554SS**THydrogen-bonded Turntrans-85-5.1-177.151.60000114D142D142-S144 PolarHBondContact O-N 3.28Å; D142-S144 PolarHBondContact OD1-OG 3.4Å
145G40.2Very low54Low35 Ų35104.3 Ų104.336%0.36158%0.579SS.*  trans-93.3-12.3-170.300000117.2Q147G145-Q147 PolarHBondContact O-N 2.88Å
146L48.7Very low56.7Low59 Ų5997.3 Ų97.331%0.30954%0.544SS..  trans-76.673.1170.4-100.1113.8000109.2S148 L372 L410L146-S148 PolarHBondContact O-N 3.18Å; L146-L372 HydrophobicContact CD1-CD2 3.54Å; L146-L410 HydrophobicContact CD1-CD2 4.47Å; L146-L410 HydrophobicContact CD2-CB 4.06Å; L146-L410 HydrophobicContact CD2-CD2 4.07Å
147Q47.8Very low59.5Low163 Ų16396.4 Ų96.476%0.76254%0.537SS*.  trans-46.4127.1156.7-70.5-177.2-100107G145 L149G145-Q147 PolarHBondContact O-N 2.88Å; Q147-L149 PolarHBondContact O-N 3.13Å
148S59Low62.5Low88 Ų8888.6 Ų88.662%0.61550%0.503SS*.  trans-42.5105-173.345.10000110.9L146 K150L146-S148 PolarHBondContact O-N 3.18Å; S148-K150 PolarHBondContact O-N 3.24Å
149L73.7Confident65.4Low24 Ų2480.6 Ų80.613%0.12647%0.467CS..  trans-56.3129176.8175.461.1000107.1Q147 I371 F380 L382 F411Q147-L149 PolarHBondContact O-N 3.13Å; L149-I371 HydrophobicContact CD2-CD1 3.62Å; L149-I371 HydrophobicContact CD2-CG1 4.07Å; L149-I371 HydrophobicContact CD2-CG2 3.91Å; L149-F380 HydrophobicContact CD1-CD2 3.92Å; L149-F380 HydrophobicContact CD1-CE2 3.47Å; L149-F380 VanDerWaalsContact CD1-CE2 3.47Å; L149-F380 HydrophobicContact CD1-CZ 4.37Å; L149-L382 HydrophobicContact CD2-CD1 3.79Å; L149-L382 HydrophobicContact CD2-CG 4.11Å; L149-F411 HydrophobicContact CB-CD1 4.49Å; L149-F411 HydrophobicContact CB-CE1 3.62Å; L149-F411 HydrophobicContact CB-CZ 3.89Å; L149-F411 HydrophobicContact CD2-CE1 3.9Å; L149-F411 HydrophobicContact CD2-CE2 3.84Å; L149-F411 HydrophobicContact CD2-CZ 3.22Å; L149-F411 HydrophobicContact CG-CE1 3.72Å; L149-F411 HydrophobicContact CG-CZ 3.5Å; L149-F411 VanDerWaalsContact CG-CZ 3.5Å; L149-F411 VanDerWaalsContact O-CE1 3.26Å; L149-F411 WeakPolarHBondContact O-CE1 3.27Å
150K84.6Confident68.1Low120 Ų12080.8 Ų80.852%0.52246%0.463SS..EExtended strand (participates in β ladder)trans-81.9131.4-177.6-67.6178.2-178175.30109.2S148 A381 L382 L457S148-K150 PolarHBondContact O-N 3.24Å; K150-A381 HydrophobicContact CB-CB 3.86Å; K150-A381 CarbonylContact O-C 3.58Å; K150-A381 VanDerWaalsContact O-CA 3.22Å; K150-A381 WeakPolarHBondContact O-CA 3.47Å; K150-A381 VanDerWaalsContact O-CB 3.32Å; K150-A381 WeakPolarHBondContact O-CB 3.29Å; K150-L382 PolarHBondContact O-N 2.9Å; K150-L457 HydrophobicContact CD-CD1 4.08Å
151V87.6Confident70.8Confident40 Ų4083.9 Ų83.924%0.24246%0.459CS..EExtended strand (participates in β ladder)trans-109.3124.9167.2-174.20000108L382 N384 F411 T432V151-L382 CarbonylContact C-O 3.41Å; V151-L382 WeakPolarHBondContact CA-O 3.44Å; V151-N384 HydrophobicContact CG1-CB 3.96Å; V151-F411 HydrophobicContact CG2-CD1 4.02Å; V151-F411 HydrophobicContact CG2-CE1 3.23Å; V151-F411 HydrophobicContact CG2-CE2 4.21Å; V151-F411 HydrophobicContact CG2-CZ 3.32Å; V151-T432 HydrophobicContact CG1-CG2 4.46Å
152L91.1Very high73.7Confident60 Ų6076.7 Ų76.731%0.31442%0.42SS..EExtended strand (participates in β ladder)trans-112.4141.5177.8-57.9174.7000109.3A381 L382 I383 N384 K455 L457L152-A381 HydrophobicContact CD1-CB 3.66Å; L152-A381 HydrophobicContact CG-CB 3.81Å; L152-L382 PolarHBondContact N-O 2.9Å; L152-I383 HydrophobicContact CB-CD1 3.87Å; L152-I383 CarbonylContact O-C 3.59Å; L152-I383 WeakPolarHBondContact O-CA 3.39Å; L152-N384 PolarHBondContact O-N 3.38Å; L152-K455 HydrophobicContact CD1-CD 3.84Å; L152-L457 HydrophobicContact CD1-CD2 4.36Å
153T91.4Very high76.5Confident76 Ų7670.9 Ų70.947%0.46639%0.39SS..  trans-101.3136166.8-54.90000107.8N384 P387T153-N384 WeakPolarHBondContact OG1-CB 3.4Å; T153-N384 PolarHBondContact OG1-ND2 2.87Å; T153-P387 HydrophobicContact CG2-CG 3.92Å
154E89.7Confident79.2Confident33 Ų3364.6 Ų64.615%0.15435%0.346CS..  trans-121.1154.5176.765173.9-142.300110.9F156 N202 Y350 I383 K453E154-F156 PolarHBondContact O-N 2.99Å; E154-N202 WeakPolarHBondContact OE1-CB 3.44Å; E154-N202 PolarHBondContact OE1-ND2 3.34Å; E154-Y350 WeakPolarHBondContact OE2-CE1 3.4Å; E154-I383 HydrophobicContact CG-CG2 3.83Å; E154-K453 VanDerWaalsContact CD-NZ 3.34Å; E154-K453 IonicContact OE1-NZ 2.66Å; E154-K453 PolarHBondContact OE1-NZ 3.07Å; E154-K453 IonicContact OE2-NZ 3.7Å; E154-K453 PolarHBondContact OE2-NZ 3.08Å
155N86.7Confident81.8Confident160 Ų16060.7 Ų60.786%0.85632%0.317SS*.  trans-72.3127.3168.1-68.8-25.5000109.1N202N155-N202 PolarHBondContact O-ND2 3.02Å
156F85.7Confident84.3Confident28 Ų2859.1 Ų59.112%0.12330%0.301CS..  trans-97.8133.4-179.4176.9-110.7000111Q52 E154 I158 L199 N202 L388Q52-F156 PolarHBondContact NE2-O 2.95Å; E154-F156 PolarHBondContact O-N 2.99Å; F156-I158 HydrophobicContact CD1-CG1 4.23Å; F156-I158 HydrophobicContact CE1-CG1 3.61Å; F156-I158 HydrophobicContact CZ-CG1 4.37Å; F156-L199 HydrophobicContact CE1-CB 4.48Å; F156-L199 HydrophobicContact CE2-CB 4.31Å; F156-L199 WeakPolarHBondContact CE2-O 3.26Å; F156-L199 HydrophobicContact CZ-CB 3.67Å; F156-L199 HydrophobicContact CZ-CD2 3.93Å; F156-L199 HydrophobicContact CZ-CG 4.28Å; F156-L199 WeakPolarHBondContact CZ-O 3.46Å; F156-N202 HydrophobicContact CD2-CB 3.74Å; F156-N202 VanDerWaalsContact CD2-CG 3.45Å; F156-N202 VanDerWaalsContact CD2-OD1 3.3Å; F156-N202 WeakPolarHBondContact CD2-OD1 2.87Å; F156-N202 HydrophobicContact CE2-CB 3.92Å; F156-L388 HydrophobicContact CE1-CD1 4.35Å
157H90.4Very high86.3Confident78 Ų7856.5 Ų56.536%0.36129%0.288SS..  trans-110.1130.3176.8177.266000111.1N202H157-N202 PolarHBondContact N-OD1 3.3Å
158I93.6Very high88.2Confident2 Ų250.4 Ų50.41%0.0126%0.262CS..  trans-89.7125.5175-60.1169.6000108.9I45 L48 I49 Q52 F156 E160 L391I45-I158 HydrophobicContact CD1-CG2 4.21Å; I45-I158 HydrophobicContact CG2-CG2 3.7Å; L48-I158 HydrophobicContact CB-CD1 3.65Å; I49-I158 HydrophobicContact CD1-CG2 4.12Å; I49-I158 HydrophobicContact CG1-CB 3.97Å; I49-I158 HydrophobicContact CG1-CD1 3.85Å; I49-I158 HydrophobicContact CG1-CG2 3.78Å; Q52-I158 HydrophobicContact CB-CD1 4.24Å; F156-I158 HydrophobicContact CD1-CG1 4.23Å; F156-I158 HydrophobicContact CE1-CG1 3.61Å; F156-I158 HydrophobicContact CZ-CG1 4.37Å; I158-E160 PolarHBondContact O-N 3.5Å; I158-L391 HydrophobicContact CD1-CD2 4.02Å
159P93.6Very high89.6Confident11 Ų1148.4 Ų48.47%0.07125%0.247CC..  trans-70.195.8178.228.8-34.3000110.5K161 L162 L199 T226 L228P159-K161 PolarHBondContact O-N 2.92Å; P159-K161 VanDerWaalsContact O-N 3.1Å; P159-L162 HydrophobicContact CB-CB 4.18Å; P159-L162 HydrophobicContact CG-CB 3.93Å; P159-L162 HydrophobicContact CG-CD2 3.9Å; P159-L162 WeakPolarHBondContact O-CB 3.17Å; P159-L162 PolarHBondContact O-N 2.81Å; P159-L199 HydrophobicContact CG-CD2 4.03Å; P159-T226 HydrophobicContact CB-CG2 4.04Å; P159-T226 HydrophobicContact CG-CG2 3.96Å; P159-L228 HydrophobicContact CB-CD1 4.12Å
160E90Very high90.1Very high142 Ų14250.2 Ų50.266%0.66427%0.272SS*.THydrogen-bonded Turntrans-57.5-30.7-173.1-56.2-174.4167.500113.9I49 I158 L162I49-E160 HydrophobicContact CD1-CB 4.25Å; I49-E160 HydrophobicContact CD1-CG 3.9Å; I158-E160 PolarHBondContact O-N 3.5Å; E160-L162 VanDerWaalsContact C-N 3.27Å; E160-L162 PolarHBondContact O-N 2.95Å
161K87.8Confident90Very high127 Ų12748.2 Ų48.255%0.55226%0.261SS*.THydrogen-bonded Turntrans-79.6-5.2179.3-60.9-174.2179.4-172.60113.7P159 C163P159-K161 PolarHBondContact O-N 2.92Å; P159-K161 VanDerWaalsContact O-N 3.1Å; K161-C163 PolarHBondContact O-N 3.27Å
162L93.5Very high89.4Confident4 Ų453.2 Ų53.22%0.02129%0.285CS..  trans-77.4118.2175-176.163.8000108.8L14 I45 P159 E160 I164 V195 I222 Q225 T226L14-L162 HydrophobicContact CD1-CD1 3.61Å; I45-L162 WeakPolarHBondContact CB-O 3.12Å; I45-L162 HydrophobicContact CD1-CD2 3.92Å; I45-L162 HydrophobicContact CD1-CG 4.39Å; I45-L162 HydrophobicContact CG1-CB 4.18Å; I45-L162 HydrophobicContact CG1-CD2 4.27Å; I45-L162 HydrophobicContact CG1-CG 4.19Å; I45-L162 VanDerWaalsContact CG1-O 3.26Å; I45-L162 WeakPolarHBondContact CG1-O 3.41Å; P159-L162 HydrophobicContact CB-CB 4.18Å; P159-L162 HydrophobicContact CG-CB 3.93Å; P159-L162 HydrophobicContact CG-CD2 3.9Å; P159-L162 WeakPolarHBondContact O-CB 3.17Å; P159-L162 PolarHBondContact O-N 2.81Å; E160-L162 VanDerWaalsContact C-N 3.27Å; E160-L162 PolarHBondContact O-N 2.95Å; L162-I164 HydrophobicContact CD1-CD1 4.25Å; L162-I164 HydrophobicContact CD2-CD1 3.68Å; L162-I164 HydrophobicContact CG-CD1 3.73Å; L162-I164 HydrophobicContact CG-CG1 4.17Å; L162-V195 HydrophobicContact CD2-CG1 4.32Å; L162-I222 HydrophobicContact CD2-CG2 4.49Å; L162-Q225 HydrophobicContact CD1-CB 3.78Å; L162-T226 HydrophobicContact CD2-CG2 4.47Å
163C94.4Very high88.8Confident13 Ų1351.7 Ų51.79%0.08828%0.278CS..  trans-106.4111.1-177.2-175.60000111.1Y15 I26 K161Y15-C163 HydrophobicContact CD2-CB 4.38Å; Y15-C163 VanDerWaalsContact CD2-SG 3.51Å; Y15-C163 PolarHBondContact N-O 3.23Å; I26-C163 HydrophobicContact CD1-CB 4.25Å; K161-C163 PolarHBondContact O-N 3.27Å
164I95.3Very high88.3Confident0 Ų053.4 Ų53.40%029%0.289CS..EExtended strand (participates in β ladder)trans-132.6129.3-178.7-63.9163.3000110.1A12 I13 L14 F44 I45 L162 I190 L192 V195A12-I164 HydrophobicContact CB-CG2 4.19Å; I13-I164 CarbonylContact O-C 3.59Å; I13-I164 VanDerWaalsContact O-CA 3.23Å; I13-I164 WeakPolarHBondContact O-CA 3.38Å; L14-I164 HydrophobicContact CD1-CD1 4.23Å; L14-I164 HydrophobicContact CD1-CG1 3.73Å; F44-I164 HydrophobicContact CB-CB 4.11Å; F44-I164 HydrophobicContact CB-CG2 3.89Å; F44-I164 HydrophobicContact CD1-CD1 4.47Å; F44-I164 HydrophobicContact CD1-CG2 4.46Å; F44-I164 HydrophobicContact CG-CG2 4.39Å; F44-I164 PolarHBondContact N-O 2.88Å; I45-I164 HydrophobicContact CD1-CD1 4.47Å; I45-I164 HydrophobicContact CG1-CD1 4.31Å; L162-I164 HydrophobicContact CD1-CD1 4.25Å; L162-I164 HydrophobicContact CD2-CD1 3.68Å; L162-I164 HydrophobicContact CG-CD1 3.73Å; L162-I164 HydrophobicContact CG-CG1 4.17Å; I164-I190 HydrophobicContact CD1-CD1 4.42Å; I164-L192 HydrophobicContact CG2-CD2 3.7Å; I164-V195 HydrophobicContact CD1-CB 4.19Å; I164-V195 HydrophobicContact CD1-CG1 3.44Å; I164-V195 VanDerWaalsContact CD1-CG1 3.44Å; I164-V195 HydrophobicContact CD1-CG2 3.64Å
165K93.9Very high88.1Confident11 Ų1153.6 Ų53.65%0.04829%0.291CS..EExtended strand (participates in β ladder)trans-115.5136.2174.1-71.5-170.1170.8-167.80112.3A12 I13 Y15 S29 P40 I42A12-K165 CarbonylContact C-O 3.55Å; A12-K165 WeakPolarHBondContact CA-O 3.29Å; A12-K165 WeakPolarHBondContact CB-O 3.26Å; I13-K165 PolarHBondContact N-O 2.99Å; I13-K165 PolarHBondContact O-N 3.48Å; Y15-K165 HydrophobicContact CE2-CB 4.1Å; Y15-K165 HydrophobicContact CE2-CD 3.83Å; Y15-K165 HydrophobicContact CE2-CG 3.81Å; S29-K165 PolarHBondContact O-NZ 3.37Å; S29-K165 PolarHBondContact OG-NZ 3.09Å; P40-K165 HydrophobicContact CB-CB 4.15Å; P40-K165 WeakPolarHBondContact O-CD 3.46Å; I42-K165 CarbonylContact O-C 3.6Å; I42-K165 VanDerWaalsContact O-CA 3.31Å; I42-K165 WeakPolarHBondContact O-CA 3.23Å
166C92.7Very high88.1Confident2 Ų249.6 Ų49.61%0.01427%0.273CS..EExtended strand (participates in β ladder)trans-131.7159.4178.263.10000110.6A12 N41 I42 L192A12-C166 HydrophobicContact CB-CB 4.06Å; N41-C166 PolarHBondContact N-O 3.35Å; I42-C166 WeakPolarHBondContact CB-O 3.49Å; I42-C166 PolarHBondContact N-O 3.01Å; I42-C166 PolarHBondContact O-N 2.89Å; C166-L192 HydrophobicContact CB-CD1 3.82Å
167S89.8Confident88.2Confident5 Ų556.6 Ų56.64%0.03531%0.306CS..PPolyproline II helixtrans-87.5153.9176.264.60000111.3K10 R171K10-S167 WeakPolarHBondContact CE-O 3.3Å; K10-S167 WeakPolarHBondContact CE-OG 3.04Å; K10-S167 PolarHBondContact NZ-O 2.75Å; K10-S167 PolarHBondContact NZ-OG 3.01Å; S167-R171 PolarHBondContact OG-O 3.5Å
168P87.9Confident88.2Confident34 Ų3455.5 Ų55.522%0.22131%0.306CS..PPolyproline II helixtrans-54.1153.6175.4-23.832000113.1K10 I42 R171K10-P168 PolarHBondContact NZ-O 2.73Å; I42-P168 HydrophobicContact CD1-CB 4.04Å; I42-P168 HydrophobicContact CD1-CG 3.9Å; I42-P168 HydrophobicContact CG1-CG 4.26Å; P168-R171 HydrophobicContact CB-CB 4.48Å; P168-R171 PolarHBondContact O-N 2.64Å
169P87.6Confident88.1Confident47 Ų4759 Ų5931%0.30533%0.327SS..THydrogen-bonded Turntrans-54.9140.9172.7-23.234.9000111R171 K398P169-R171 PolarHBondContact O-N 2.66Å; P169-K398 WeakPolarHBondContact CD-O 2.79Å
170G85.4Confident87.9Confident62 Ų6265.2 Ų65.264%0.63935%0.35SS*.THydrogen-bonded Turntrans77-9.7-178.700000115.3S443G170-S443 PolarHBondContact N-O 2.94Å
171R82.9Confident87.8Confident78 Ų7862.1 Ų62.129%0.29434%0.338SS..  trans-103.4116.2-178.7-160.4173.8179.9164.8-3.2112N35 S167 P168 P169 V173N35-R171 PolarHBondContact O-NH1 2.95Å; N35-R171 PolarHBondContact O-NH2 3.39Å; S167-R171 PolarHBondContact OG-O 3.5Å; P168-R171 HydrophobicContact CB-CB 4.48Å; P168-R171 PolarHBondContact O-N 2.64Å; P169-R171 PolarHBondContact O-N 2.66Å; R171-V173 HydrophobicContact CB-CG2 4.4Å; R171-V173 HydrophobicContact CG-CG2 3.84Å
172L74Confident87.7Confident144 Ų14461 Ų6175%0.75434%0.338SS*.  trans-80.4135.6163.7-65.1178000108.9
173V78.1Confident87.4Confident28 Ų2862.3 Ų62.317%0.1735%0.353CS..  trans-137.4136.1-171.2177.50000108.4F38 P40 R171 I175F38-V173 WeakPolarHBondContact O-CG1 3.39Å; P40-V173 HydrophobicContact CG-CG1 4.14Å; R171-V173 HydrophobicContact CB-CG2 4.4Å; R171-V173 HydrophobicContact CG-CG2 3.84Å; V173-I175 PolarHBondContact O-N 2.96Å
174T80.9Confident87.3Confident112 Ų11262 Ų6269%0.68735%0.35SS*.PPolyproline II helixtrans-73.9123.9177.1-53.70000109.2
175I85.2Confident87.1Confident38 Ų3865.1 Ų65.120%0.19536%0.364CS..PPolyproline II helixtrans-93.1126.9172.9-60.5178000107.2K11 I13 P40 V173 F187 T189K11-I175 HydrophobicContact CB-CD1 3.5Å; K11-I175 VanDerWaalsContact CB-CD1 3.5Å; I13-I175 HydrophobicContact CD1-CG2 3.94Å; I13-I175 HydrophobicContact CG1-CD1 4.3Å; I13-I175 HydrophobicContact CG1-CG1 4.46Å; I13-I175 HydrophobicContact CG1-CG2 3.94Å; P40-I175 HydrophobicContact CG-CG1 4.16Å; V173-I175 PolarHBondContact O-N 2.96Å; I175-F187 HydrophobicContact CG2-CE2 3.81Å; I175-F187 HydrophobicContact CG2-CZ 4.16Å; I175-T189 HydrophobicContact CD1-CG2 4.19Å; I175-T189 HydrophobicContact CG2-CG2 3.82Å
176P86.6Confident87Confident75 Ų7565.9 Ų65.949%0.48737%0.368SS..PPolyproline II helixtrans-62.8168.3177.326.7-34.2000111.2F187P176-F187 HydrophobicContact CG-CE1 4.26Å; P176-F187 HydrophobicContact CG-CZ 4.06Å; P176-F187 VanDerWaalsContact O-CZ 3.28Å; P176-F187 WeakPolarHBondContact O-CZ 3.26Å
177H88.9Confident87.1Confident175 Ų17566.1 Ų66.181%0.8137%0.369SS*.PPolyproline II helixtrans-71.5141.5168.3-69.1-71.2000110.2
178P90.7Very high87.3Confident55 Ų5567.4 Ų67.436%0.35738%0.375SS..PPolyproline II helixtrans-66.8141.5176.429.6-34.8000110.1F185 N186 F187P178-F185 HydrophobicContact CB-CB 4.41Å; P178-F185 HydrophobicContact CB-CD1 3.88Å; P178-F185 HydrophobicContact CB-CG 4.47Å; P178-F185 HydrophobicContact CG-CD1 4.01Å; P178-F185 HydrophobicContact CG-CE1 4.32Å; P178-N186 WeakPolarHBondContact CA-OD1 3.3Å; P178-F187 HydrophobicContact CB-CD2 4.42Å; P178-F187 HydrophobicContact CB-CE1 4.28Å; P178-F187 HydrophobicContact CB-CE2 4.13Å; P178-F187 HydrophobicContact CB-CZ 4.04Å
179T90.9Very high87.6Confident75 Ų7567.9 Ų67.946%0.4638%0.377SS..PPolyproline II helixtrans-85.8141.1172.8570000109.4F185 N186T179-F185 VanDerWaalsContact O-CA 3.31Å; T179-F185 WeakPolarHBondContact O-CA 3.29Å; T179-N186 PolarHBondContact N-OD1 2.9Å; T179-N186 PolarHBondContact O-N 2.97Å; T179-N186 PolarHBondContact O-OD1 2.86Å; T179-N186 WeakPolarHBondContact OG1-CB 3.16Å; T179-N186 PolarHBondContact OG1-ND2 3.41Å; T179-N186 VanDerWaalsContact OG1-ND2 3.09Å; T179-N186 PolarHBondContact OG1-OD1 2.81Å
180Y90.2Very high88Confident142 Ų14266 Ų6656%0.55737%0.365SS*.EExtended strand (participates in β ladder)trans-111.8124178-176.5-103.6000109.8G183 Q184 F185 T251Y180-G183 VanDerWaalsContact CE2-C 3.46Å; Y180-G183 WeakPolarHBondContact OH-CA 3.42Å; Y180-Q184 WeakPolarHBondContact CA-O 3.46Å; Y180-Q184 WeakPolarHBondContact CD2-O 3.1Å; Y180-F185 AromaticContact CD2-CD1 3.95Å; Y180-F185 HydrophobicContact CD2-CD1 3.95Å; Y180-F185 HydrophobicContact CD2-CD2 4.19Å; Y180-F185 AromaticContact CD2-CE1 3.79Å; Y180-F185 HydrophobicContact CD2-CE1 3.79Å; Y180-F185 HydrophobicContact CD2-CE2 4.01Å; Y180-F185 HydrophobicContact CD2-CG 4.16Å; Y180-F185 AromaticContact CD2-CZ 3.81Å; Y180-F185 HydrophobicContact CD2-CZ 3.81Å; Y180-F185 HydrophobicContact CE2-CE2 4.39Å; Y180-F185 HydrophobicContact CE2-CZ 4.47Å; Y180-F185 HydrophobicContact CG-CD1 4.46Å; Y180-F185 HydrophobicContact CG-CE1 4.17Å; Y180-F185 HydrophobicContact CG-CZ 4.47Å; Y180-T251 HydrophobicContact CE2-CG2 4.2Å
181L88.1Confident88.4Confident77 Ų7764.8 Ų64.840%0.40334%0.344SS..EExtended strand (participates in β ladder)trans-147.3136.9179.7-174.764.6000109.1F19 P20 G183 Q184F19-L181 HydrophobicContact CE2-CB 3.66Å; F19-L181 HydrophobicContact CZ-CB 3.62Å; F19-L181 HydrophobicContact CZ-CD2 4.26Å; P20-L181 HydrophobicContact CB-CD2 4.26Å; P20-L181 HydrophobicContact CG-CD2 4.09Å; L181-G183 VanDerWaalsContact C-N 3.27Å; L181-G183 PolarHBondContact O-N 3.43Å; L181-G183 VanDerWaalsContact O-N 3.14Å; L181-Q184 PolarHBondContact N-O 3.46Å; L181-Q184 PolarHBondContact O-N 2.68Å; L181-Q184 VanDerWaalsContact O-O 3.13Å
182N85.3Confident89.1Confident105 Ų10561 Ų6156%0.56133%0.33SS*.THydrogen-bonded Turntrans49.341.6174.3-61.2-9.9000114.8Q184N182-Q184 VanDerWaalsContact C-N 3.34Å
183G87.2Confident90.1Very high31 Ų3154.2 Ų54.232%0.3229%0.294SS..THydrogen-bonded Turntrans85.41.8177.800000115.1Y180 L181 T251Y180-G183 VanDerWaalsContact CE2-C 3.46Å; Y180-G183 WeakPolarHBondContact OH-CA 3.42Å; L181-G183 VanDerWaalsContact C-N 3.27Å; L181-G183 PolarHBondContact O-N 3.43Å; L181-G183 VanDerWaalsContact O-N 3.14Å; G183-T251 WeakPolarHBondContact O-CG2 3.37Å
184Q90.9Very high91.1Very high5 Ų553.6 Ų53.62%0.02329%0.291CS..EExtended strand (participates in β ladder)trans-132152.6-171.3-66.1176.7-1100112.2Y18 F19 Y180 L181 N182 T251 K253 S255Y18-Q184 PolarHBondContact O-OE1 3.1Å; F19-Q184 HydrophobicContact CD2-CB 4.24Å; Y180-Q184 WeakPolarHBondContact CA-O 3.46Å; Y180-Q184 WeakPolarHBondContact CD2-O 3.1Å; L181-Q184 PolarHBondContact N-O 3.46Å; L181-Q184 PolarHBondContact O-N 2.68Å; L181-Q184 VanDerWaalsContact O-O 3.13Å; N182-Q184 VanDerWaalsContact C-N 3.34Å; Q184-T251 WeakPolarHBondContact CA-O 3.35Å; Q184-T251 WeakPolarHBondContact CB-O 3.49Å; Q184-K253 PolarHBondContact NE2-O 3.23Å; Q184-S255 PolarHBondContact NE2-OG 3.41Å; Q184-S255 VanDerWaalsContact NE2-OG 3.1Å
185F92.2Very high91.8Very high67 Ų6748.2 Ų48.229%0.29426%0.258SS..EExtended strand (participates in β ladder)trans-94.7146.2167.9-71.7-73.8000110.4N16 F19 P178 T179 Y180 F187 T251 F252N16-F185 WeakPolarHBondContact CB-O 3.46Å; N16-F185 PolarHBondContact ND2-O 3.35Å; F19-F185 VanDerWaalsContact CD2-C 3.48Å; P178-F185 HydrophobicContact CB-CB 4.41Å; P178-F185 HydrophobicContact CB-CD1 3.88Å; P178-F185 HydrophobicContact CB-CG 4.47Å; P178-F185 HydrophobicContact CG-CD1 4.01Å; P178-F185 HydrophobicContact CG-CE1 4.32Å; T179-F185 VanDerWaalsContact O-CA 3.31Å; T179-F185 WeakPolarHBondContact O-CA 3.29Å; Y180-F185 AromaticContact CD2-CD1 3.95Å; Y180-F185 HydrophobicContact CD2-CD1 3.95Å; Y180-F185 HydrophobicContact CD2-CD2 4.19Å; Y180-F185 AromaticContact CD2-CE1 3.79Å; Y180-F185 HydrophobicContact CD2-CE1 3.79Å; Y180-F185 HydrophobicContact CD2-CE2 4.01Å; Y180-F185 HydrophobicContact CD2-CG 4.16Å; Y180-F185 AromaticContact CD2-CZ 3.81Å; Y180-F185 HydrophobicContact CD2-CZ 3.81Å; Y180-F185 HydrophobicContact CE2-CE2 4.39Å; Y180-F185 HydrophobicContact CE2-CZ 4.47Å; Y180-F185 HydrophobicContact CG-CD1 4.46Å; Y180-F185 HydrophobicContact CG-CE1 4.17Å; Y180-F185 HydrophobicContact CG-CZ 4.47Å; F185-F187 VanDerWaalsContact C-N 3.34Å; F185-T251 HydrophobicContact CD2-CG2 3.86Å; F185-T251 HydrophobicContact CE2-CG2 3.95Å; F185-T251 PolarHBondContact N-O 3.25Å; F185-F252 HydrophobicContact CB-CE2 3.98Å; F185-F252 HydrophobicContact CB-CZ 3.85Å; F185-F252 HydrophobicContact CD2-CE2 4.32Å
186N91.9Very high92.4Very high26 Ų2646.4 Ų46.414%0.13925%0.249CC..SBendtrans-69.6-30177.567.5-24.6000113.6N16 F19 P178 T179N16-N186 WeakPolarHBondContact CB-O 3.37Å; N16-N186 PolarHBondContact N-O 2.84Å; F19-N186 HydrophobicContact CD1-CB 3.7Å; F19-N186 VanDerWaalsContact CD2-CA 3.45Å; F19-N186 HydrophobicContact CD2-CB 3.86Å; F19-N186 HydrophobicContact CE1-CB 3.69Å; F19-N186 HydrophobicContact CE2-CB 3.81Å; F19-N186 HydrophobicContact CG-CB 3.8Å; F19-N186 HydrophobicContact CZ-CB 3.74Å; P178-N186 WeakPolarHBondContact CA-OD1 3.3Å; T179-N186 PolarHBondContact N-OD1 2.9Å; T179-N186 PolarHBondContact O-N 2.97Å; T179-N186 PolarHBondContact O-OD1 2.86Å; T179-N186 WeakPolarHBondContact OG1-CB 3.16Å; T179-N186 PolarHBondContact OG1-ND2 3.41Å; T179-N186 VanDerWaalsContact OG1-ND2 3.09Å; T179-N186 PolarHBondContact OG1-OD1 2.81Å
187F94.2Very high93Very high8 Ų842.9 Ų42.94%0.03523%0.225CC..EExtended strand (participates in β ladder)trans-154.9164.7174.367.7-98.5000112.4I13 L14 Y15 I175 P176 P178 F185 T189 F252I13-F187 HydrophobicContact CG1-CD2 4.49Å; I13-F187 HydrophobicContact CG2-CB 3.53Å; I13-F187 HydrophobicContact CG2-CD1 4.26Å; I13-F187 HydrophobicContact CG2-CD2 3.74Å; I13-F187 HydrophobicContact CG2-CG 3.59Å; L14-F187 CarbonylContact O-C 3.48Å; L14-F187 WeakPolarHBondContact O-CA 3.45Å; L14-F187 WeakPolarHBondContact O-CB 3.04Å; Y15-F187 HydrophobicContact CD1-CB 4.33Å; I175-F187 HydrophobicContact CG2-CE2 3.81Å; I175-F187 HydrophobicContact CG2-CZ 4.16Å; P176-F187 HydrophobicContact CG-CE1 4.26Å; P176-F187 HydrophobicContact CG-CZ 4.06Å; P176-F187 VanDerWaalsContact O-CZ 3.28Å; P176-F187 WeakPolarHBondContact O-CZ 3.26Å; P178-F187 HydrophobicContact CB-CD2 4.42Å; P178-F187 HydrophobicContact CB-CE1 4.28Å; P178-F187 HydrophobicContact CB-CE2 4.13Å; P178-F187 HydrophobicContact CB-CZ 4.04Å; F185-F187 VanDerWaalsContact C-N 3.34Å; F187-T189 HydrophobicContact CE2-CG2 4.24Å; F187-F252 VanDerWaalsContact C-CZ 3.49Å
188N94.2Very high93.4Very high31 Ų3134.8 Ų34.817%0.16619%0.188CC..EExtended strand (participates in β ladder)trans-119.6149.7167.2-173.326.9000110.9L14 I190 M248 F252L14-N188 PolarHBondContact N-O 2.92Å; L14-N188 PolarHBondContact O-N 2.79Å; N188-I190 HydrophobicContact CB-CG2 4.41Å; N188-M248 HydrophobicContact CB-CE 3.9Å; N188-M248 WeakPolarHBondContact ND2-CE 3.35Å; N188-F252 HydrophobicContact CB-CE1 3.87Å; N188-F252 HydrophobicContact CB-CE2 4.16Å; N188-F252 HydrophobicContact CB-CZ 3.5Å; N188-F252 VanDerWaalsContact CB-CZ 3.5Å
189T94.5Very high93.7Very high44 Ų4432.3 Ų32.327%0.2717%0.172SC..EExtended strand (participates in β ladder)trans-85.9130.6169.270.20000110.8K11 A12 I175 F187K11-T189 HydrophobicContact CD-CG2 4.47Å; A12-T189 CarbonylContact O-C 3.56Å; A12-T189 WeakPolarHBondContact O-CA 3.37Å; I175-T189 HydrophobicContact CD1-CG2 4.19Å; I175-T189 HydrophobicContact CG2-CG2 3.82Å; F187-T189 HydrophobicContact CE2-CG2 4.24Å
190I95.4Very high94Very high7 Ų728.9 Ų28.94%0.03615%0.151CC..EExtended strand (participates in β ladder)trans-136.6162.3-173.762161.6000112.5A12 L14 I164 N188 V195 T218 I222A12-I190 HydrophobicContact CB-CG1 4.27Å; A12-I190 PolarHBondContact N-O 3.48Å; A12-I190 PolarHBondContact O-N 2.85Å; L14-I190 HydrophobicContact CB-CD1 3.76Å; L14-I190 HydrophobicContact CB-CG1 4.06Å; L14-I190 HydrophobicContact CB-CG2 4.1Å; L14-I190 HydrophobicContact CD2-CG2 4.35Å; I164-I190 HydrophobicContact CD1-CD1 4.42Å; N188-I190 HydrophobicContact CB-CG2 4.41Å; I190-V195 HydrophobicContact CD1-CG2 3.3Å; I190-T218 HydrophobicContact CB-CG2 4.24Å; I190-T218 HydrophobicContact CG2-CG2 3.58Å; I190-I222 HydrophobicContact CD1-CD1 3.98Å; I190-I222 HydrophobicContact CD1-CG1 4.15Å
191D95.1Very high94.4Very high37 Ų3722.1 Ų22.120%0.19813%0.125CC..  trans-89.3128167.1-173.9-36.4000109.1S193 S194 Y446 G447D191-S193 PolarHBondContact O-N 2.83Å; D191-S193 VanDerWaalsContact OD1-CB 3.24Å; D191-S193 WeakPolarHBondContact OD1-CB 3.3Å; D191-S193 PolarHBondContact OD1-N 3.4Å; D191-S193 PolarHBondContact OD1-OG 2.95Å; D191-S193 PolarHBondContact OD2-OG 3.05Å; D191-S194 WeakPolarHBondContact O-CB 3.17Å; D191-S194 PolarHBondContact O-N 2.88Å; D191-Y446 WeakPolarHBondContact OD1-CB 3.46Å; D191-G447 PolarHBondContact OD1-N 3.16Å; D191-G447 PolarHBondContact OD2-N 3.2Å
192L96.4Very high94.8Very high0 Ų018.9 Ų18.90%011%0.108CC..Hα-helixtrans-60.3-26.8179.3-71.9-175.2000113A12 F44 I164 C166 S194 V195 I196 I401 Y446A12-L192 HydrophobicContact CB-CD2 3.44Å; A12-L192 VanDerWaalsContact CB-CD2 3.44Å; A12-L192 HydrophobicContact CB-CG 3.76Å; F44-L192 HydrophobicContact CD1-CD2 4.44Å; F44-L192 HydrophobicContact CD2-CD1 3.89Å; F44-L192 HydrophobicContact CD2-CD2 4.1Å; F44-L192 HydrophobicContact CE2-CD1 4.06Å; F44-L192 HydrophobicContact CE2-CD2 4.38Å; F44-L192 HydrophobicContact CG-CD2 4.14Å; I164-L192 HydrophobicContact CG2-CD2 3.7Å; C166-L192 HydrophobicContact CB-CD1 3.82Å; L192-S194 PolarHBondContact O-N 3.07Å; L192-V195 HydrophobicContact CD2-CG2 4.16Å; L192-V195 WeakPolarHBondContact O-CA 3.33Å; L192-V195 VanDerWaalsContact O-CB 3.27Å; L192-V195 WeakPolarHBondContact O-CB 3.43Å; L192-V195 PolarHBondContact O-N 3.43Å; L192-I196 WeakPolarHBondContact O-CG1 3.44Å; L192-I196 PolarHBondContact O-N 2.6Å; L192-I401 HydrophobicContact CB-CD1 4.03Å; L192-I401 HydrophobicContact CD1-CD1 3.75Å; L192-I401 HydrophobicContact CD1-CG1 4.39Å; L192-Y446 HydrophobicContact CB-CD1 3.98Å; L192-Y446 HydrophobicContact CB-CD2 4.06Å; L192-Y446 HydrophobicContact CB-CE1 4.06Å; L192-Y446 HydrophobicContact CB-CE2 4.14Å; L192-Y446 HydrophobicContact CB-CG 3.99Å; L192-Y446 HydrophobicContact CD1-CD2 3.99Å; L192-Y446 HydrophobicContact CD1-CE1 4.21Å; L192-Y446 HydrophobicContact CD1-CE2 3.34Å; L192-Y446 VanDerWaalsContact CD1-CZ 3.49Å; L192-Y446 HydrophobicContact CG-CD1 4.22Å; L192-Y446 HydrophobicContact CG-CD2 4.26Å; L192-Y446 HydrophobicContact CG-CE1 3.76Å; L192-Y446 HydrophobicContact CG-CE2 3.81Å; L192-Y446 HydrophobicContact CG-CG 4.46Å
193S96.3Very high95.4Very high1 Ų114.2 Ų14.21%0.0078%0.083CC..Hα-helixtrans-63.7-28.3174.370.90000112.9D191 I196 T197 T449D191-S193 PolarHBondContact O-N 2.83Å; D191-S193 VanDerWaalsContact OD1-CB 3.24Å; D191-S193 WeakPolarHBondContact OD1-CB 3.3Å; D191-S193 PolarHBondContact OD1-N 3.4Å; D191-S193 PolarHBondContact OD1-OG 2.95Å; D191-S193 PolarHBondContact OD2-OG 3.05Å; S193-I196 PolarHBondContact O-N 2.83Å; S193-T197 PolarHBondContact O-N 3.08Å; S193-T197 PolarHBondContact O-OG1 3.42Å; S193-T449 VanDerWaalsContact CB-OG1 3.27Å; S193-T449 WeakPolarHBondContact CB-OG1 3.33Å; S193-T449 PolarHBondContact OG-OG1 3.33Å
194S97.1Very high95.8Very high14 Ų1416.4 Ų16.410%0.0989%0.085CC..Hα-helixtrans-70.9-31.5171.1-68.60000112.2D191 L192 T197 I198 K219D191-S194 WeakPolarHBondContact O-CB 3.17Å; D191-S194 PolarHBondContact O-N 2.88Å; L192-S194 PolarHBondContact O-N 3.07Å; S194-T197 WeakPolarHBondContact O-CB 3.38Å; S194-T197 PolarHBondContact O-N 2.85Å; S194-I198 PolarHBondContact O-N 3.35Å; S194-K219 PolarHBondContact OG-NZ 2.99Å
195V97.4Very high95.9Very high0 Ų023 Ų230%011%0.113CC..Hα-helixtrans-67-48.4172.5-173.80000109.8F44 L162 I164 I190 L192 T197 I198 L199 I222F44-V195 HydrophobicContact CD1-CG1 4.26Å; F44-V195 HydrophobicContact CE1-CB 4.38Å; F44-V195 HydrophobicContact CE1-CG1 3.75Å; L162-V195 HydrophobicContact CD2-CG1 4.32Å; I164-V195 HydrophobicContact CD1-CB 4.19Å; I164-V195 HydrophobicContact CD1-CG1 3.44Å; I164-V195 VanDerWaalsContact CD1-CG1 3.44Å; I164-V195 HydrophobicContact CD1-CG2 3.64Å; I190-V195 HydrophobicContact CD1-CG2 3.3Å; L192-V195 HydrophobicContact CD2-CG2 4.16Å; L192-V195 WeakPolarHBondContact O-CA 3.33Å; L192-V195 VanDerWaalsContact O-CB 3.27Å; L192-V195 WeakPolarHBondContact O-CB 3.43Å; L192-V195 PolarHBondContact O-N 3.43Å; V195-T197 PolarHBondContact O-N 2.79Å; V195-I198 CarbonylContact O-C 3.51Å; V195-I198 WeakPolarHBondContact O-CA 3.22Å; V195-I198 PolarHBondContact O-N 2.99Å; V195-L199 HydrophobicContact CG1-CD1 4.22Å; V195-L199 HydrophobicContact CG1-CG 4.23Å; V195-L199 WeakPolarHBondContact O-CG 3.34Å; V195-L199 PolarHBondContact O-N 2.81Å; V195-I222 HydrophobicContact CG2-CD1 4.13Å
196I97.5Very high95.9Very high0 Ų024 Ų240%012%0.122CC..Hα-helixtrans-58.1-35.4178.1-64166.1000110.8F44 L192 S193 L199 A200 L388 L392 I401 I438 I451F44-I196 HydrophobicContact CZ-CG1 4.3Å; L192-I196 WeakPolarHBondContact O-CG1 3.44Å; L192-I196 PolarHBondContact O-N 2.6Å; S193-I196 PolarHBondContact O-N 2.83Å; I196-L199 PolarHBondContact O-N 3.49Å; I196-A200 WeakPolarHBondContact O-CB 3.37Å; I196-A200 PolarHBondContact O-N 2.94Å; I196-L388 HydrophobicContact CG2-CD2 4.28Å; I196-L392 HydrophobicContact CD1-CD1 4.07Å; I196-L392 HydrophobicContact CD1-CD2 4.01Å; I196-L392 HydrophobicContact CG1-CD1 4.29Å; I196-L392 HydrophobicContact CG1-CD2 4.2Å; I196-L392 HydrophobicContact CG2-CD1 3.88Å; I196-I401 HydrophobicContact CD1-CD1 3.93Å; I196-I401 HydrophobicContact CD1-CG2 3.9Å; I196-I438 HydrophobicContact CB-CD1 4.48Å; I196-I438 HydrophobicContact CD1-CG1 4.01Å; I196-I438 HydrophobicContact CG2-CD1 4.07Å; I196-I451 HydrophobicContact CB-CD1 4.39Å; I196-I451 HydrophobicContact CG2-CD1 3.76Å
197T98.1Very high96.1Very high0 Ų023.2 Ų23.20%012%0.117CC..Hα-helixtrans-60.9-43.6173.3-51.20000112.4S193 S194 V195 A200 L201 K219 L299 V352 T449S193-T197 PolarHBondContact O-N 3.08Å; S193-T197 PolarHBondContact O-OG1 3.42Å; S194-T197 WeakPolarHBondContact O-CB 3.38Å; S194-T197 PolarHBondContact O-N 2.85Å; V195-T197 PolarHBondContact O-N 2.79Å; T197-A200 PolarHBondContact O-N 3.15Å; T197-L201 PolarHBondContact O-N 3.47Å; T197-K219 HydrophobicContact CG2-CD 4.17Å; T197-L299 HydrophobicContact CG2-CD1 3.62Å; T197-V352 HydrophobicContact CG2-CG1 4.11Å; T197-T449 WeakPolarHBondContact OG1-CG2 3.28Å
198I97.9Very high96.1Very high5 Ų523.7 Ų23.73%0.02612%0.121CC..Hα-helixtrans-72.8-36.4177.7-63.1-53.6000111.7S194 V195 A200 L201 L203 M209 K219 I222 A223 T226 L299S194-I198 PolarHBondContact O-N 3.35Å; V195-I198 CarbonylContact O-C 3.51Å; V195-I198 WeakPolarHBondContact O-CA 3.22Å; V195-I198 PolarHBondContact O-N 2.99Å; I198-A200 VanDerWaalsContact C-N 3.35Å; I198-L201 WeakPolarHBondContact O-CB 3.28Å; I198-L201 PolarHBondContact O-N 2.93Å; I198-L203 HydrophobicContact CG2-CD1 4.03Å; I198-M209 HydrophobicContact CD1-CE 4.08Å; I198-K219 HydrophobicContact CD1-CB 4.13Å; I198-K219 WeakPolarHBondContact CD1-O 3.48Å; I198-K219 HydrophobicContact CG1-CB 4.49Å; I198-I222 HydrophobicContact CB-CG2 3.86Å; I198-I222 HydrophobicContact CG1-CB 4.04Å; I198-I222 HydrophobicContact CG1-CG2 3.75Å; I198-I222 HydrophobicContact CG2-CG2 4.04Å; I198-A223 HydrophobicContact CD1-CB 4.23Å; I198-A223 HydrophobicContact CG2-CB 4.25Å; I198-T226 HydrophobicContact CG2-CG2 4.44Å; I198-L299 HydrophobicContact CD1-CD2 3.98Å
199L97.6Very high96.3Very high4 Ų422.2 Ų22.22%0.02111%0.113CC..Hα-helixtrans-60.3-45.8171.3-65.9180000110.1F44 I45 L48 F156 P159 V195 I196 L201 N202F44-L199 HydrophobicContact CE1-CD1 4.03Å; I45-L199 HydrophobicContact CD1-CD2 4.42Å; L48-L199 HydrophobicContact CD1-CD1 3.76Å; F156-L199 HydrophobicContact CE1-CB 4.48Å; F156-L199 HydrophobicContact CE2-CB 4.31Å; F156-L199 WeakPolarHBondContact CE2-O 3.26Å; F156-L199 HydrophobicContact CZ-CB 3.67Å; F156-L199 HydrophobicContact CZ-CD2 3.93Å; F156-L199 HydrophobicContact CZ-CG 4.28Å; F156-L199 WeakPolarHBondContact CZ-O 3.46Å; P159-L199 HydrophobicContact CG-CD2 4.03Å; V195-L199 HydrophobicContact CG1-CD1 4.22Å; V195-L199 HydrophobicContact CG1-CG 4.23Å; V195-L199 WeakPolarHBondContact O-CG 3.34Å; V195-L199 PolarHBondContact O-N 2.81Å; I196-L199 PolarHBondContact O-N 3.49Å; L199-L201 PolarHBondContact O-N 2.83Å; L199-L201 VanDerWaalsContact O-N 3.11Å; L199-N202 WeakPolarHBondContact O-CA 3.46Å; L199-N202 PolarHBondContact O-N 3.09Å
200A97.5Very high96.3Very high3 Ų320.1 Ų20.13%0.02510%0.1CC..Hα-helixtrans-55.9-34.5176.100000112.6I196 T197 I198 N202 L388 I451 K453I196-A200 WeakPolarHBondContact O-CB 3.37Å; I196-A200 PolarHBondContact O-N 2.94Å; T197-A200 PolarHBondContact O-N 3.15Å; I198-A200 VanDerWaalsContact C-N 3.35Å; A200-N202 PolarHBondContact O-N 3.28Å; A200-L388 HydrophobicContact CB-CD2 4.01Å; A200-I451 HydrophobicContact CB-CG2 3.67Å; A200-K453 WeakPolarHBondContact O-CD 3.43Å; A200-K453 WeakPolarHBondContact O-CE 3.06Å; A200-K453 PolarHBondContact O-NZ 3.12Å
201L97.3Very high96.4Very high0 Ų020 Ų200%010%0.099CC..Hα-helixtrans-63.2-23.8176.3-166.859.2000113.1T197 I198 L199 L203 M209 K297 L299 V352 K453T197-L201 PolarHBondContact O-N 3.47Å; I198-L201 WeakPolarHBondContact O-CB 3.28Å; I198-L201 PolarHBondContact O-N 2.93Å; L199-L201 PolarHBondContact O-N 2.83Å; L199-L201 VanDerWaalsContact O-N 3.11Å; L201-L203 HydrophobicContact CD2-CD2 3.73Å; L201-L203 HydrophobicContact CD2-CG 4.4Å; L201-L203 HydrophobicContact CG-CD2 3.95Å; L201-M209 HydrophobicContact CD2-CE 3.77Å; L201-M209 HydrophobicContact CD2-CG 4.24Å; L201-M209 HydrophobicContact CD2-SD 3.75Å; L201-K297 HydrophobicContact CD1-CB 4.14Å; L201-K297 HydrophobicContact CD1-CD 4.17Å; L201-K297 HydrophobicContact CD2-CB 4.14Å; L201-K297 HydrophobicContact CG-CB 4.14Å; L201-K297 HydrophobicContact CG-CD 4.18Å; L201-K297 PolarHBondContact O-NZ 2.9Å; L201-L299 HydrophobicContact CD2-CB 4.46Å; L201-V352 HydrophobicContact CB-CG2 4.02Å; L201-V352 HydrophobicContact CD1-CB 4.08Å; L201-V352 HydrophobicContact CD1-CG2 3.64Å; L201-V352 HydrophobicContact CG-CG2 4.44Å; L201-K453 PolarHBondContact O-NZ 2.99Å
202N97.1Very high96.4Very high8 Ų818.3 Ų18.34%0.0439%0.09CC..THydrogen-bonded Turntrans5358.1176.2-167.322.9000112E154 N155 F156 H157 L199 A200 Q204 K297E154-N202 WeakPolarHBondContact OE1-CB 3.44Å; E154-N202 PolarHBondContact OE1-ND2 3.34Å; N155-N202 PolarHBondContact O-ND2 3.02Å; F156-N202 HydrophobicContact CD2-CB 3.74Å; F156-N202 VanDerWaalsContact CD2-CG 3.45Å; F156-N202 VanDerWaalsContact CD2-OD1 3.3Å; F156-N202 WeakPolarHBondContact CD2-OD1 2.87Å; F156-N202 HydrophobicContact CE2-CB 3.92Å; H157-N202 PolarHBondContact N-OD1 3.3Å; L199-N202 WeakPolarHBondContact O-CA 3.46Å; L199-N202 PolarHBondContact O-N 3.09Å; A200-N202 PolarHBondContact O-N 3.28Å; N202-Q204 PolarHBondContact O-NE2 3.28Å; N202-Q204 VanDerWaalsContact O-NE2 3.17Å; N202-Q204 PolarHBondContact OD1-NE2 3.18Å; N202-Q204 VanDerWaalsContact OD1-NE2 3.1Å; N202-K297 WeakPolarHBondContact O-CE 2.84Å; N202-K297 PolarHBondContact O-NZ 3.44Å
203L97Very high96.2Very high8 Ų818.5 Ų18.54%0.0429%0.091CC..  trans-58.4139.9179.3-63.8177.4000110.6I198 L201 D207 M209 A223 T226 L228 L229 K297I198-L203 HydrophobicContact CG2-CD1 4.03Å; L201-L203 HydrophobicContact CD2-CD2 3.73Å; L201-L203 HydrophobicContact CD2-CG 4.4Å; L201-L203 HydrophobicContact CG-CD2 3.95Å; L203-D207 WeakPolarHBondContact CA-OD2 3.35Å; L203-D207 HydrophobicContact CD2-CB 4.44Å; L203-M209 HydrophobicContact CD1-SD 4.38Å; L203-M209 HydrophobicContact CD2-SD 4.21Å; L203-A223 HydrophobicContact CD1-CB 3.86Å; L203-T226 HydrophobicContact CD1-CG2 4.21Å; L203-L228 HydrophobicContact CB-CB 4.33Å; L203-L228 HydrophobicContact CB-CD1 4.06Å; L203-L228 VanDerWaalsContact O-CD1 3.28Å; L203-L228 WeakPolarHBondContact O-CD1 3.41Å; L203-L229 HydrophobicContact CD1-CD2 3.92Å; L203-L229 HydrophobicContact CD1-CG 4.4Å; L203-L229 HydrophobicContact CD2-CD2 3.86Å; L203-L229 HydrophobicContact CG-CD2 4.42Å; L203-K297 HydrophobicContact CD2-CB 3.99Å; L203-K297 HydrophobicContact CD2-CD 4.41Å; L203-K297 HydrophobicContact CD2-CG 3.79Å
204Q95.3Very high96.1Very high76 Ų7618.5 Ų18.536%0.3559%0.091SC..  trans-119.7163.3177-56.4-56.5-47.300109.9N202 N206 D207 L228N202-Q204 PolarHBondContact O-NE2 3.28Å; N202-Q204 VanDerWaalsContact O-NE2 3.17Å; N202-Q204 PolarHBondContact OD1-NE2 3.18Å; N202-Q204 VanDerWaalsContact OD1-NE2 3.1Å; Q204-N206 PolarHBondContact O-N 3.44Å; Q204-D207 PolarHBondContact N-OD2 3.25Å; Q204-D207 WeakPolarHBondContact O-CB 3.35Å; Q204-D207 VanDerWaalsContact O-CG 3.24Å; Q204-D207 PolarHBondContact O-N 3.44Å; Q204-L228 VanDerWaalsContact O-O 3.04Å
205K93.8Very high95.9Very high143 Ų14321 Ų2162%0.62210%0.1SC*.THydrogen-bonded Turntrans-56.9131178.6-174.1177.6-179.2179.30110.2L228K205-L228 CarbonylContact C-O 3.54Å
206N92.9Very high95.6Very high88 Ų8822.9 Ų22.947%0.47111%0.114SC..THydrogen-bonded Turntrans69.523179.9-53.4-24.6000115.4Q204 L228 N230Q204-N206 PolarHBondContact O-N 3.44Å; N206-L228 WeakPolarHBondContact CA-O 3.36Å; N206-L228 PolarHBondContact N-O 2.99Å; N206-N230 HydrophobicContact CB-CB 4.15Å; N206-N230 WeakPolarHBondContact O-CB 3.39Å
207D95.3Very high95.4Very high10 Ų1022.9 Ų22.95%0.05311%0.114CC..EExtended strand (participates in β ladder)trans-65143.2174.3-83.2-10.3000112.1L203 Q204 L228 L229 N230 R231 N296 K297L203-D207 WeakPolarHBondContact CA-OD2 3.35Å; L203-D207 HydrophobicContact CD2-CB 4.44Å; Q204-D207 PolarHBondContact N-OD2 3.25Å; Q204-D207 WeakPolarHBondContact O-CB 3.35Å; Q204-D207 VanDerWaalsContact O-CG 3.24Å; Q204-D207 PolarHBondContact O-N 3.44Å; D207-L228 PolarHBondContact N-O 3.12Å; D207-L229 HydrophobicContact CB-CD2 4.12Å; D207-L229 CarbonylContact O-C 3.59Å; D207-L229 WeakPolarHBondContact O-CA 3.48Å; D207-N230 PolarHBondContact O-N 3.08Å; D207-R231 PolarHBondContact O-N 3.17Å; D207-N296 PolarHBondContact OD1-ND2 2.93Å; D207-K297 HydrophobicContact CB-CG 3.99Å; D207-K297 WeakPolarHBondContact OD2-CE 3.42Å; D207-K297 VanDerWaalsContact OD2-CG 3.23Å; D207-K297 WeakPolarHBondContact OD2-CG 3.5Å
208N95.3Very high95.3Very high19 Ų1924.1 Ų24.110%0.10212%0.122CC..EExtended strand (participates in β ladder)trans-102108.6170.3-63.5-39.5000108.2N230 R231 F295 N296 K297N208-N230 PolarHBondContact OD1-ND2 3.48Å; N208-R231 HydrophobicContact CB-CB 4.34Å; N208-R231 WeakPolarHBondContact OD1-CB 3.48Å; N208-R231 PolarHBondContact OD1-N 2.83Å; N208-F295 HydrophobicContact CB-CD1 3.88Å; N208-F295 HydrophobicContact CB-CE1 4.45Å; N208-N296 PolarHBondContact N-OD1 2.87Å; N208-N296 PolarHBondContact O-N 3.3Å; N208-N296 VanDerWaalsContact O-N 3.09Å; N208-N296 PolarHBondContact O-OD1 3.29Å; N208-N296 VanDerWaalsContact O-OD1 3.04Å; N208-K297 PolarHBondContact O-N 3Å
209M96.6Very high95.2Very high0 Ų025 Ų250%013%0.125CC..EExtended strand (participates in β ladder)trans-103.8139.2-175.2-178.9178.816700112.8I198 L201 L203 N211 A223 L229 R231 L232 L233 K297 L299I198-M209 HydrophobicContact CD1-CE 4.08Å; L201-M209 HydrophobicContact CD2-CE 3.77Å; L201-M209 HydrophobicContact CD2-CG 4.24Å; L201-M209 HydrophobicContact CD2-SD 3.75Å; L203-M209 HydrophobicContact CD1-SD 4.38Å; L203-M209 HydrophobicContact CD2-SD 4.21Å; M209-N211 HydrophobicContact CE-CB 4.48Å; M209-A223 HydrophobicContact CE-CB 4.07Å; M209-A223 HydrophobicContact SD-CB 3.52Å; M209-A223 VanDerWaalsContact SD-CB 3.52Å; M209-L229 HydrophobicContact CB-CD1 4.19Å; M209-L229 HydrophobicContact CB-CD2 3.65Å; M209-L229 HydrophobicContact SD-CD1 4.23Å; M209-L229 HydrophobicContact SD-CD2 4.39Å; M209-R231 PolarHBondContact N-O 2.85Å; M209-L232 HydrophobicContact CB-CD1 4.38Å; M209-L232 HydrophobicContact CG-CD1 4.28Å; M209-L232 CarbonylContact O-C 3.5Å; M209-L232 WeakPolarHBondContact O-CA 3.46Å; M209-L232 HydrophobicContact SD-CD1 4.39Å; M209-L233 PolarHBondContact O-N 2.9Å; M209-K297 CarbonylContact C-O 3.51Å; M209-K297 WeakPolarHBondContact CA-O 3.25Å; M209-K297 HydrophobicContact CB-CB 4.27Å; M209-K297 HydrophobicContact CG-CB 4.39Å; M209-L299 HydrophobicContact CE-CB 3.68Å; M209-L299 HydrophobicContact CE-CD2 3.9Å; M209-L299 HydrophobicContact CE-CG 4.46Å
210V96Very high95.2Very high0 Ų024.8 Ų24.80%012%0.124CC..EExtended strand (participates in β ladder)trans-112.1131.4162.6-169.40000109.9M212 L233 V235 F295 K297 I298 L299 L344V210-M212 HydrophobicContact CB-CG 4.31Å; V210-M212 HydrophobicContact CG1-CG 3.58Å; V210-L233 CarbonylContact C-O 3.24Å; V210-L233 WeakPolarHBondContact CA-O 3.47Å; V210-L233 HydrophobicContact CB-CB 4.49Å; V210-L233 HydrophobicContact CG1-CB 4.2Å; V210-L233 HydrophobicContact CG1-CD2 3.9Å; V210-L233 HydrophobicContact CG1-CG 4.03Å; V210-L233 HydrophobicContact CG2-CB 4.2Å; V210-L233 HydrophobicContact CG2-CD2 4.1Å; V210-V235 HydrophobicContact CG1-CG2 4.16Å; V210-F295 HydrophobicContact CB-CD1 4.45Å; V210-F295 HydrophobicContact CG2-CB 3.56Å; V210-F295 HydrophobicContact CG2-CD1 3.2Å; V210-F295 HydrophobicContact CG2-CD2 3.37Å; V210-F295 HydrophobicContact CG2-CE1 3.59Å; V210-F295 HydrophobicContact CG2-CE2 3.74Å; V210-F295 HydrophobicContact CG2-CG 3.08Å; V210-F295 HydrophobicContact CG2-CZ 3.85Å; V210-K297 PolarHBondContact N-O 2.64Å; V210-I298 HydrophobicContact CB-CG1 4.42Å; V210-I298 WeakPolarHBondContact O-CA 3.32Å; V210-L299 PolarHBondContact O-N 2.9Å; V210-L344 HydrophobicContact CG2-CD2 4.29Å
211N96.9Very high95.2Very high5 Ų524.7 Ų24.73%0.02712%0.123CC..EExtended strand (participates in β ladder)trans-99.798.7159-174.8-4.8000108.8M209 S213 T214 S220 L233 V235M209-N211 HydrophobicContact CE-CB 4.48Å; N211-S213 VanDerWaalsContact C-N 3.26Å; N211-S213 PolarHBondContact O-N 3.49Å; N211-S213 PolarHBondContact OD1-N 3.2Å; N211-T214 WeakPolarHBondContact CB-OG1 3.41Å; N211-T214 PolarHBondContact ND2-OG1 3.21Å; N211-T214 PolarHBondContact O-OG1 2.99Å; N211-T214 VanDerWaalsContact O-OG1 3.1Å; N211-S220 PolarHBondContact ND2-OG 3.37Å; N211-L233 PolarHBondContact N-O 3.15Å; N211-V235 PolarHBondContact O-N 2.9Å
212M94.9Very high95.2Very high1 Ų124.7 Ų24.71%0.00512%0.123CC..EExtended strand (participates in β ladder)trans-73-13.7-170.5-78.7-17169.200114.2V210 V235 H278 L281 I298 L299 Q340 A341 L344V210-M212 HydrophobicContact CB-CG 4.31Å; V210-M212 HydrophobicContact CG1-CG 3.58Å; M212-V235 WeakPolarHBondContact O-CB 3.22Å; M212-H278 PolarHBondContact O-CE1 2.91Å; M212-H278 PolarHBondContact O-NE2 2.82Å; M212-L281 HydrophobicContact CE-CD2 4.31Å; M212-I298 HydrophobicContact CG-CG2 3.81Å; M212-I298 HydrophobicContact SD-CG2 3.61Å; M212-L299 PolarHBondContact N-O 3.08Å; M212-Q340 HydrophobicContact CE-CB 3.86Å; M212-A341 HydrophobicContact CE-CB 4.36Å; M212-A341 WeakPolarHBondContact SD-CA 3.35Å; M212-A341 HydrophobicContact SD-CB 3.44Å; M212-A341 WeakPolarHBondContact SD-CB 3.33Å; M212-L344 HydrophobicContact CE-CD2 4.48Å; M212-L344 HydrophobicContact CG-CD2 4.49Å; M212-L344 HydrophobicContact SD-CD2 3.99Å
213S93.4Very high95.2Very high3 Ų324.3 Ų24.32%0.02112%0.121CC..EExtended strand (participates in β ladder)trans-143.570.1-179.6168.10000109.6N211 N301N211-S213 VanDerWaalsContact C-N 3.26Å; N211-S213 PolarHBondContact O-N 3.49Å; N211-S213 PolarHBondContact OD1-N 3.2Å; S213-N301 VanDerWaalsContact CB-O 3.23Å; S213-N301 WeakPolarHBondContact CB-O 3.15Å; S213-N301 PolarHBondContact OG-O 3.11Å
214T94Very high95.1Very high1 Ų124 Ų241%0.00612%0.12CC..EExtended strand (participates in β ladder)trans-80.2123.3-177.7-56.10000110.4N211 C234 V235 L236 R237 V245N211-T214 WeakPolarHBondContact CB-OG1 3.41Å; N211-T214 PolarHBondContact ND2-OG1 3.21Å; N211-T214 PolarHBondContact O-OG1 2.99Å; N211-T214 VanDerWaalsContact O-OG1 3.1Å; T214-C234 HydrophobicContact CG2-CB 4.22Å; T214-V235 WeakPolarHBondContact CA-O 3.41Å; T214-V235 VanDerWaalsContact CB-O 3.27Å; T214-V235 WeakPolarHBondContact CB-O 3.39Å; T214-V235 PolarHBondContact N-O 2.89Å; T214-V235 PolarHBondContact OG1-O 2.98Å; T214-L236 HydrophobicContact CG2-CD2 4.19Å; T214-R237 PolarHBondContact O-N 2.83Å; T214-V245 HydrophobicContact CG2-CG1 3.75Å; T214-V245 HydrophobicContact CG2-CG2 4.2Å
215F91.3Very high95.1Very high66 Ų6620.6 Ų20.629%0.28910%0.104SC..SBendtrans-115.6-58.4177.5-174.6-113.1000112.9R241 V245F215-R241 HydrophobicContact CD2-CG 4.1Å; F215-R241 HydrophobicContact CE2-CG 3.89Å; F215-R241 VanDerWaalsContact CZ-CZ 3.46Å; F215-R241 VanDerWaalsContact CZ-NH2 3.29Å; F215-V245 VanDerWaalsContact O-CG2 3.23Å; F215-V245 WeakPolarHBondContact O-CG2 3.48Å
216S91.4Very high95.2Very high40 Ų4014 Ų1428%0.288%0.075SC..SBendtrans-96-19.4177.965.10000113.9T218 H244S216-T218 PolarHBondContact O-N 2.88Å; S216-T218 WeakPolarHBondContact OG-CB 3.46Å; S216-T218 PolarHBondContact OG-N 3.37Å; S216-T218 PolarHBondContact OG-OG1 3.48Å; S216-H244 PolarHBondContact O-CE1 3Å
217G93.6Very high95.2Very high1 Ų110.3 Ų10.31%0.016%0.058CC..SBendtrans80.4-7.7-169.600000114.5K219 S220 V221G217-K219 PolarHBondContact O-N 3.28Å; G217-S220 WeakPolarHBondContact O-CB 3.31Å; G217-S220 PolarHBondContact O-N 3.46Å; G217-S220 VanDerWaalsContact O-N 3.11Å; G217-V221 PolarHBondContact O-N 3.24Å
218T95.5Very high95.1Very high26 Ų2611.1 Ų11.116%0.166%0.062CC..Hα-helixtrans-58.4-47.1-173.6-50.10000113.5I190 S216 S220 V221 I222I190-T218 HydrophobicContact CB-CG2 4.24Å; I190-T218 HydrophobicContact CG2-CG2 3.58Å; S216-T218 PolarHBondContact O-N 2.88Å; S216-T218 WeakPolarHBondContact OG-CB 3.46Å; S216-T218 PolarHBondContact OG-N 3.37Å; S216-T218 PolarHBondContact OG-OG1 3.48Å; T218-S220 VanDerWaalsContact C-N 3.31Å; T218-S220 PolarHBondContact O-N 3.37Å; T218-V221 PolarHBondContact O-N 2.97Å; T218-I222 HydrophobicContact CG2-CD1 4.15Å; T218-I222 WeakPolarHBondContact O-CG1 3.4Å; T218-I222 PolarHBondContact O-N 3Å
219K97.1Very high95.1Very high23 Ų2310.2 Ų10.210%0.16%0.058CC..Hα-helixtrans-65.2-36.1178.1-71.3-172.4175.377.30111.8S194 T197 I198 G217 I222 A223 L299 N301S194-K219 PolarHBondContact OG-NZ 2.99Å; T197-K219 HydrophobicContact CG2-CD 4.17Å; I198-K219 HydrophobicContact CD1-CB 4.13Å; I198-K219 WeakPolarHBondContact CD1-O 3.48Å; I198-K219 HydrophobicContact CG1-CB 4.49Å; G217-K219 PolarHBondContact O-N 3.28Å; K219-I222 PolarHBondContact O-N 3.19Å; K219-A223 WeakPolarHBondContact O-CB 3.04Å; K219-A223 PolarHBondContact O-N 3.05Å; K219-L299 HydrophobicContact CB-CD2 3.75Å; K219-L299 HydrophobicContact CD-CD2 3.79Å; K219-L299 HydrophobicContact CG-CD2 4.4Å; K219-N301 HydrophobicContact CD-CB 4.2Å; K219-N301 WeakPolarHBondContact CE-OD1 3.34Å; K219-N301 PolarHBondContact NZ-OD1 3.34Å
220S97.1Very high94.9Very high0 Ų013.2 Ų13.20%07%0.074CC..Hα-helixtrans-65-42.1174.1-51.20000111.5N211 G217 T218 A223 L224 C234N211-S220 PolarHBondContact ND2-OG 3.37Å; G217-S220 WeakPolarHBondContact O-CB 3.31Å; G217-S220 PolarHBondContact O-N 3.46Å; G217-S220 VanDerWaalsContact O-N 3.11Å; T218-S220 VanDerWaalsContact C-N 3.31Å; T218-S220 PolarHBondContact O-N 3.37Å; S220-A223 WeakPolarHBondContact O-CB 3.37Å; S220-A223 PolarHBondContact O-N 2.84Å; S220-L224 WeakPolarHBondContact O-CG 3.44Å; S220-L224 PolarHBondContact O-N 3.34Å; S220-C234 PolarHBondContact OG-SG 2.79Å
221V96.8Very high94.8Very high0 Ų013.6 Ų13.60%08%0.075CC..Hα-helixtrans-65.3-43.5175166.60000111.8L14 G217 T218 A223 L224 Q225 M248 I249 F252L14-V221 HydrophobicContact CD2-CG1 3.91Å; G217-V221 PolarHBondContact O-N 3.24Å; T218-V221 PolarHBondContact O-N 2.97Å; V221-A223 PolarHBondContact O-N 3.42Å; V221-L224 PolarHBondContact O-N 2.65Å; V221-Q225 HydrophobicContact CG1-CG 4.15Å; V221-Q225 WeakPolarHBondContact O-CB 3.2Å; V221-Q225 WeakPolarHBondContact O-CG 3.2Å; V221-Q225 PolarHBondContact O-N 3.32Å; V221-M248 HydrophobicContact CB-CE 4.12Å; V221-M248 HydrophobicContact CG1-CE 3.94Å; V221-M248 HydrophobicContact CG2-CE 3.83Å; V221-M248 HydrophobicContact CG2-CG 3.91Å; V221-M248 WeakPolarHBondContact CG2-O 3.25Å; V221-I249 HydrophobicContact CG2-CG1 4.45Å; V221-F252 HydrophobicContact CB-CB 4.43Å; V221-F252 HydrophobicContact CG1-CB 3.57Å; V221-F252 HydrophobicContact CG1-CD1 3.75Å; V221-F252 HydrophobicContact CG1-CD2 4.27Å; V221-F252 HydrophobicContact CG1-CG 3.6Å; V221-F252 HydrophobicContact CG2-CB 4.03Å; V221-F252 HydrophobicContact CG2-CG 4.48Å
222I97.6Very high94.7Very high0 Ų013.3 Ų13.30%07%0.074CC..Hα-helixtrans-56.2-43.7173.8-66.9162.7000110.1L14 L162 I190 V195 I198 T218 K219 Q225 T226L14-I222 HydrophobicContact CD2-CG1 3.8Å; L162-I222 HydrophobicContact CD2-CG2 4.49Å; I190-I222 HydrophobicContact CD1-CD1 3.98Å; I190-I222 HydrophobicContact CD1-CG1 4.15Å; V195-I222 HydrophobicContact CG2-CD1 4.13Å; I198-I222 HydrophobicContact CB-CG2 3.86Å; I198-I222 HydrophobicContact CG1-CB 4.04Å; I198-I222 HydrophobicContact CG1-CG2 3.75Å; I198-I222 HydrophobicContact CG2-CG2 4.04Å; T218-I222 HydrophobicContact CG2-CD1 4.15Å; T218-I222 WeakPolarHBondContact O-CG1 3.4Å; T218-I222 PolarHBondContact O-N 3Å; K219-I222 PolarHBondContact O-N 3.19Å; I222-Q225 PolarHBondContact O-N 3.12Å; I222-T226 PolarHBondContact O-N 3.34Å
223A97.3Very high94.7Very high0 Ų013.3 Ų13.30%07%0.073CC..Hα-helixtrans-63.5-44.5177.100000112.8I198 L203 M209 K219 S220 V221 Q225 T226 L229I198-A223 HydrophobicContact CD1-CB 4.23Å; I198-A223 HydrophobicContact CG2-CB 4.25Å; L203-A223 HydrophobicContact CD1-CB 3.86Å; M209-A223 HydrophobicContact CE-CB 4.07Å; M209-A223 HydrophobicContact SD-CB 3.52Å; M209-A223 VanDerWaalsContact SD-CB 3.52Å; K219-A223 WeakPolarHBondContact O-CB 3.04Å; K219-A223 PolarHBondContact O-N 3.05Å; S220-A223 WeakPolarHBondContact O-CB 3.37Å; S220-A223 PolarHBondContact O-N 2.84Å; V221-A223 PolarHBondContact O-N 3.42Å; A223-Q225 VanDerWaalsContact C-N 3.31Å; A223-Q225 PolarHBondContact O-N 3.45Å; A223-T226 WeakPolarHBondContact O-CB 3.41Å; A223-T226 WeakPolarHBondContact O-CG2 3.34Å; A223-T226 PolarHBondContact O-N 3.35Å; A223-T226 PolarHBondContact O-OG1 3.3Å; A223-L229 HydrophobicContact CB-CD1 3.93Å
224L95.4Very high94.8Very high3 Ų313.1 Ų13.12%0.0167%0.072CC..Hα-helixtrans-57.7-43.2173.8-73.3173.8000112S220 V221 T226 G227 L229 L232 I249 T270 I272S220-L224 WeakPolarHBondContact O-CG 3.44Å; S220-L224 PolarHBondContact O-N 3.34Å; V221-L224 PolarHBondContact O-N 2.65Å; L224-T226 PolarHBondContact O-N 2.88Å; L224-G227 WeakPolarHBondContact O-CA 3.43Å; L224-G227 PolarHBondContact O-N 2.83Å; L224-L229 HydrophobicContact CD2-CD1 4.3Å; L224-L232 HydrophobicContact CD1-CD2 3.8Å; L224-L232 HydrophobicContact CD2-CB 4.26Å; L224-L232 HydrophobicContact CD2-CD2 3.65Å; L224-L232 HydrophobicContact CG-CD2 3.59Å; L224-I249 HydrophobicContact CD1-CG2 3.95Å; L224-T270 HydrophobicContact CD2-CG2 3.86Å; L224-I272 HydrophobicContact CD1-CD1 4.03Å; L224-I272 HydrophobicContact CD2-CD1 4.08Å; L224-I272 HydrophobicContact CD2-CG1 4.36Å
225Q95.2Very high94.9Very high3 Ų313.1 Ų13.11%0.0147%0.072CC..Hα-helixtrans-68.7-13.2-177.1-66.8-64.2-4000113.6L14 Y15 N16 R17 L162 V221 I222 A223 G227 F252L14-Q225 HydrophobicContact CD1-CB 4.15Å; L14-Q225 HydrophobicContact CD1-CG 4.4Å; L14-Q225 HydrophobicContact CD2-CG 4.15Å; L14-Q225 HydrophobicContact CG-CG 4.4Å; Y15-Q225 PolarHBondContact O-OE1 3.32Å; N16-Q225 PolarHBondContact OD1-NE2 3.2Å; R17-Q225 PolarHBondContact NH2-O 2.88Å; R17-Q225 VanDerWaalsContact NH2-O 3.11Å; L162-Q225 HydrophobicContact CD1-CB 3.78Å; V221-Q225 HydrophobicContact CG1-CG 4.15Å; V221-Q225 WeakPolarHBondContact O-CB 3.2Å; V221-Q225 WeakPolarHBondContact O-CG 3.2Å; V221-Q225 PolarHBondContact O-N 3.32Å; I222-Q225 PolarHBondContact O-N 3.12Å; A223-Q225 VanDerWaalsContact C-N 3.31Å; A223-Q225 PolarHBondContact O-N 3.45Å; Q225-G227 PolarHBondContact O-N 3.42Å; Q225-F252 PolarHBondContact NE2-O 3Å
226T94.8Very high95Very high5 Ų510 Ų103%0.0316%0.059CC..Hα-helixtrans-64.5-31.2166.171.70000111.7R17 P159 L162 I198 L203 I222 A223 L224 L228R17-T226 VanDerWaalsContact NH2-C 3.3Å; R17-T226 PolarHBondContact NH2-O 3.49Å; P159-T226 HydrophobicContact CB-CG2 4.04Å; P159-T226 HydrophobicContact CG-CG2 3.96Å; L162-T226 HydrophobicContact CD2-CG2 4.47Å; I198-T226 HydrophobicContact CG2-CG2 4.44Å; L203-T226 HydrophobicContact CD1-CG2 4.21Å; I222-T226 PolarHBondContact O-N 3.34Å; A223-T226 WeakPolarHBondContact O-CB 3.41Å; A223-T226 WeakPolarHBondContact O-CG2 3.34Å; A223-T226 PolarHBondContact O-N 3.35Å; A223-T226 PolarHBondContact O-OG1 3.3Å; L224-T226 PolarHBondContact O-N 2.88Å; T226-L228 PolarHBondContact O-N 3.38Å; T226-L228 PolarHBondContact OG1-N 3.03Å
227G93.1Very high94.9Very high10 Ų1013.1 Ų13.110%0.1036%0.064CC..THydrogen-bonded Turntrans66.722.2-173.200000114.3L224 Q225L224-G227 WeakPolarHBondContact O-CA 3.43Å; L224-G227 PolarHBondContact O-N 2.83Å; Q225-G227 PolarHBondContact O-N 3.42Å
228L94.5Very high94.6Very high27 Ų2714.7 Ų14.714%0.1418%0.075CC..  trans-98.3-14-178.9-62.9176.1000112.8P159 L203 Q204 K205 N206 D207 T226P159-L228 HydrophobicContact CB-CD1 4.12Å; L203-L228 HydrophobicContact CB-CB 4.33Å; L203-L228 HydrophobicContact CB-CD1 4.06Å; L203-L228 VanDerWaalsContact O-CD1 3.28Å; L203-L228 WeakPolarHBondContact O-CD1 3.41Å; Q204-L228 VanDerWaalsContact O-O 3.04Å; K205-L228 CarbonylContact C-O 3.54Å; N206-L228 WeakPolarHBondContact CA-O 3.36Å; N206-L228 PolarHBondContact N-O 2.99Å; D207-L228 PolarHBondContact N-O 3.12Å; T226-L228 PolarHBondContact O-N 3.38Å; T226-L228 PolarHBondContact OG1-N 3.03Å
229L94.6Very high94.1Very high1 Ų117.2 Ų17.21%0.0059%0.092CC..EExtended strand (participates in β ladder)trans-81.8133-174.2-61.6-176.3000112.5L203 D207 M209 A223 L224 L232 T270L203-L229 HydrophobicContact CD1-CD2 3.92Å; L203-L229 HydrophobicContact CD1-CG 4.4Å; L203-L229 HydrophobicContact CD2-CD2 3.86Å; L203-L229 HydrophobicContact CG-CD2 4.42Å; D207-L229 HydrophobicContact CB-CD2 4.12Å; D207-L229 CarbonylContact O-C 3.59Å; D207-L229 WeakPolarHBondContact O-CA 3.48Å; M209-L229 HydrophobicContact CB-CD1 4.19Å; M209-L229 HydrophobicContact CB-CD2 3.65Å; M209-L229 HydrophobicContact SD-CD1 4.23Å; M209-L229 HydrophobicContact SD-CD2 4.39Å; A223-L229 HydrophobicContact CB-CD1 3.93Å; L224-L229 HydrophobicContact CD2-CD1 4.3Å; L229-L232 HydrophobicContact CD1-CB 4.15Å; L229-L232 HydrophobicContact CD1-CD1 4.32Å; L229-T270 HydrophobicContact CB-CG2 3.77Å; L229-T270 PolarHBondContact O-OG1 3.41Å
230N93.2Very high93.6Very high63 Ų6320.6 Ų20.634%0.33712%0.119SC..EExtended strand (participates in β ladder)trans-84.1-41.2163.817663.8000111.1N206 D207 N208 T270 K271N206-N230 HydrophobicContact CB-CB 4.15Å; N206-N230 WeakPolarHBondContact O-CB 3.39Å; D207-N230 PolarHBondContact O-N 3.08Å; N208-N230 PolarHBondContact OD1-ND2 3.48Å; N230-T270 WeakPolarHBondContact O-CA 3.5Å; N230-K271 PolarHBondContact O-N 3.31Å
231R93.2Very high93.1Very high7 Ų724 Ų243%0.02613%0.131CC..EExtended strand (participates in β ladder)trans-138143.9177.7-165.7170.4-170.2170.60.8111.5D207 N208 M209 K271 D273 Y284 D288 D290 F295D207-R231 PolarHBondContact O-N 3.17Å; N208-R231 HydrophobicContact CB-CB 4.34Å; N208-R231 WeakPolarHBondContact OD1-CB 3.48Å; N208-R231 PolarHBondContact OD1-N 2.83Å; M209-R231 PolarHBondContact N-O 2.85Å; R231-K271 CarbonylContact C-O 3.49Å; R231-K271 VanDerWaalsContact CA-O 3.27Å; R231-K271 WeakPolarHBondContact CA-O 3.26Å; R231-K271 HydrophobicContact CB-CB 4.5Å; R231-K271 HydrophobicContact CG-CB 4.08Å; R231-K271 HydrophobicContact CG-CG 4.31Å; R231-K271 WeakPolarHBondContact CG-O 3.44Å; R231-D273 IonicContact CZ-OD2 3.18Å; R231-D273 IonicContact NE-OD2 2.75Å; R231-D273 PolarHBondContact NE-OD2 3.39Å; R231-D273 IonicContact NH2-OD2 2.77Å; R231-D273 PolarHBondContact NH2-OD2 3.44Å; R231-Y284 PolarHBondContact NH2-OH 3.39Å; R231-D288 PolarHBondContact NH2-O 2.92Å; R231-D290 IonicContact NH1-OD2 3.93Å; R231-F295 HydrophobicContact CG-CE1 4.39Å
232L95.1Very high92.8Very high0 Ų025.1 Ų25.10%014%0.139CC..EExtended strand (participates in β ladder)trans-129.4118.5172.5173.264.5000109.7M209 L224 L229 T270 K271 I272 D273M209-L232 HydrophobicContact CB-CD1 4.38Å; M209-L232 HydrophobicContact CG-CD1 4.28Å; M209-L232 CarbonylContact O-C 3.5Å; M209-L232 WeakPolarHBondContact O-CA 3.46Å; M209-L232 HydrophobicContact SD-CD1 4.39Å; L224-L232 HydrophobicContact CD1-CD2 3.8Å; L224-L232 HydrophobicContact CD2-CB 4.26Å; L224-L232 HydrophobicContact CD2-CD2 3.65Å; L224-L232 HydrophobicContact CG-CD2 3.59Å; L229-L232 HydrophobicContact CD1-CB 4.15Å; L229-L232 HydrophobicContact CD1-CD1 4.32Å; L232-T270 HydrophobicContact CB-CG2 4.28Å; L232-K271 PolarHBondContact N-O 2.82Å; L232-I272 HydrophobicContact CB-CG1 4.46Å; L232-I272 WeakPolarHBondContact O-CA 3.2Å; L232-D273 PolarHBondContact O-N 2.93Å
233L94.8Very high92.6Very high0 Ų029.2 Ų29.20%016%0.164CC..EExtended strand (participates in β ladder)trans-104125.3168.7173.463.2000110M209 V210 N211 V235 D273 V275 L281 Y284 F285 F295M209-L233 PolarHBondContact O-N 2.9Å; V210-L233 CarbonylContact C-O 3.24Å; V210-L233 WeakPolarHBondContact CA-O 3.47Å; V210-L233 HydrophobicContact CB-CB 4.49Å; V210-L233 HydrophobicContact CG1-CB 4.2Å; V210-L233 HydrophobicContact CG1-CD2 3.9Å; V210-L233 HydrophobicContact CG1-CG 4.03Å; V210-L233 HydrophobicContact CG2-CB 4.2Å; V210-L233 HydrophobicContact CG2-CD2 4.1Å; N211-L233 PolarHBondContact N-O 3.15Å; L233-V235 HydrophobicContact CD2-CG2 4.4Å; L233-V235 HydrophobicContact CG-CG2 4.3Å; L233-D273 WeakPolarHBondContact CA-O 3.5Å; L233-D273 HydrophobicContact CD1-CB 3.86Å; L233-V275 HydrophobicContact CD1-CB 4.38Å; L233-V275 HydrophobicContact CD1-CG2 3.68Å; L233-L281 HydrophobicContact CD2-CD1 4.07Å; L233-Y284 HydrophobicContact CD1-CD1 4.44Å; L233-Y284 HydrophobicContact CD1-CE1 3.93Å; L233-Y284 HydrophobicContact CD1-CE2 4.21Å; L233-Y284 HydrophobicContact CD2-CD1 4.01Å; L233-Y284 HydrophobicContact CD2-CE1 3.56Å; L233-Y284 HydrophobicContact CG-CE1 4.33Å; L233-F285 HydrophobicContact CD2-CZ 4.47Å; L233-F295 HydrophobicContact CB-CE1 3.77Å; L233-F295 HydrophobicContact CB-CE2 4.45Å; L233-F295 HydrophobicContact CB-CZ 3.55Å; L233-F295 HydrophobicContact CD2-CE2 3.81Å; L233-F295 HydrophobicContact CD2-CZ 3.71Å; L233-F295 HydrophobicContact CG-CZ 4.27Å
234C95.5Very high92.4Very high0 Ų032.9 Ų32.90%018%0.181CC..EExtended strand (participates in β ladder)trans-108.8114.4172.4-66.40000110.3T214 S220 I249 D273 I274 V275T214-C234 HydrophobicContact CG2-CB 4.22Å; S220-C234 PolarHBondContact OG-SG 2.79Å; C234-I249 HydrophobicContact CB-CD1 4.35Å; C234-D273 PolarHBondContact N-O 2.9Å; C234-I274 HydrophobicContact CB-CG1 4.36Å; C234-I274 WeakPolarHBondContact O-CA 3.26Å; C234-V275 PolarHBondContact O-N 3.05Å
235V95.2Very high92.3Very high0 Ų032.7 Ų32.70%018%0.18CC..EExtended strand (participates in β ladder)trans-92.4118.3171.8-174.60000108.1V210 N211 M212 T214 L233 V275 L281V210-V235 HydrophobicContact CG1-CG2 4.16Å; N211-V235 PolarHBondContact O-N 2.9Å; M212-V235 WeakPolarHBondContact O-CB 3.22Å; T214-V235 WeakPolarHBondContact CA-O 3.41Å; T214-V235 VanDerWaalsContact CB-O 3.27Å; T214-V235 WeakPolarHBondContact CB-O 3.39Å; T214-V235 PolarHBondContact N-O 2.89Å; T214-V235 PolarHBondContact OG1-O 2.98Å; L233-V235 HydrophobicContact CD2-CG2 4.4Å; L233-V235 HydrophobicContact CG-CG2 4.3Å; V235-V275 WeakPolarHBondContact CA-O 3.39Å; V235-L281 HydrophobicContact CG2-CD1 3.76Å; V235-L281 HydrophobicContact CG2-CD2 4.49Å
236L94.4Very high92.2Very high2 Ų235.2 Ų35.21%0.0119%0.192CC..EExtended strand (participates in β ladder)trans-77.7133.9-175.8-64.5-179.6000111.4T214 S238 V245 I274 V275 Y276T214-L236 HydrophobicContact CG2-CD2 4.19Å; L236-S238 VanDerWaalsContact C-N 3.33Å; L236-V245 HydrophobicContact CD2-CB 3.78Å; L236-V245 HydrophobicContact CD2-CG1 3.71Å; L236-V245 HydrophobicContact CD2-CG2 3.76Å; L236-I274 HydrophobicContact CD1-CG2 3.88Å; L236-I274 HydrophobicContact CD2-CG2 4.39Å; L236-I274 HydrophobicContact CG-CG2 3.91Å; L236-V275 PolarHBondContact N-O 2.76Å; L236-Y276 HydrophobicContact CD1-CD1 3.74Å; L236-Y276 HydrophobicContact CD1-CE1 4.27Å; L236-Y276 HydrophobicContact CD1-CG 4.5Å
237R88.6Confident92.1Very high104 Ų10440.9 Ų40.939%0.39222%0.218SC..SBendtrans-70.2-31.9171.9177.7179.5169.8-179.13.1112.3T214 P303T214-R237 PolarHBondContact O-N 2.83Å; R237-P303 VanDerWaalsContact NH2-CB 3.32Å
238S86.6Confident92.2Very high35 Ų3541.4 Ų41.425%0.24522%0.218CC..  trans-144.6122.7-176.1-174.90000110.2L236 S240 R241L236-S238 VanDerWaalsContact C-N 3.33Å; S238-S240 PolarHBondContact O-N 2.82Å; S238-S240 VanDerWaalsContact O-N 3.14Å; S238-S240 PolarHBondContact OG-OG 2.85Å; S238-R241 PolarHBondContact O-N 3.01Å
239P85Confident92.1Very high79 Ų7940.1 Ų40.151%0.51321%0.212SC..G310 helixtrans-56-30176.3-26.734.2000113.4R241 S242P239-R241 PolarHBondContact O-N 3.23Å; P239-R241 VanDerWaalsContact O-N 3.14Å; P239-S242 WeakPolarHBondContact O-CB 3.12Å; P239-S242 PolarHBondContact O-N 3.04Å; P239-S242 PolarHBondContact O-OG 3.09Å
240S87.1Confident92Very high94 Ų9443.5 Ų43.566%0.65723%0.23SC*.G310 helixtrans-62.7-18176.563.30000114.3S238S238-S240 PolarHBondContact O-N 2.82Å; S238-S240 VanDerWaalsContact O-N 3.14Å; S238-S240 PolarHBondContact OG-OG 2.85Å
241R86.7Confident92Very high71 Ų7141.2 Ų41.227%0.26822%0.218SC..G310 helixtrans-95.30.4177.1-67.6-70.9-171.2147.4-2.9113F215 S238 P239 T243 H244 V245F215-R241 HydrophobicContact CD2-CG 4.1Å; F215-R241 HydrophobicContact CE2-CG 3.89Å; F215-R241 VanDerWaalsContact CZ-CZ 3.46Å; F215-R241 VanDerWaalsContact CZ-NH2 3.29Å; S238-R241 PolarHBondContact O-N 3.01Å; P239-R241 PolarHBondContact O-N 3.23Å; P239-R241 VanDerWaalsContact O-N 3.14Å; R241-T243 PolarHBondContact O-N 2.84Å; R241-H244 PolarHBondContact O-N 3.38Å; R241-V245 HydrophobicContact CB-CG2 4.46Å; R241-V245 WeakPolarHBondContact O-CG2 3.45Å; R241-V245 PolarHBondContact O-N 2.84Å
242S90.9Very high92Very high24 Ų2441 Ų4117%0.16822%0.217CC..Hα-helixtrans-55.1-52.2-174.351.70000113.4P239 H244 V245 Q246P239-S242 WeakPolarHBondContact O-CB 3.12Å; P239-S242 PolarHBondContact O-N 3.04Å; P239-S242 PolarHBondContact O-OG 3.09Å; S242-H244 PolarHBondContact O-N 3.45Å; S242-V245 PolarHBondContact O-N 3.33Å; S242-Q246 WeakPolarHBondContact O-CB 3.39Å; S242-Q246 VanDerWaalsContact O-CG 3.29Å; S242-Q246 WeakPolarHBondContact O-CG 3.3Å; S242-Q246 PolarHBondContact O-N 3.17Å
243T93Very high91.8Very high85 Ų8544.4 Ų44.452%0.52123%0.232SC..Hα-helixtrans-58.9-47.1179.253.30000111.7R241 Q246 Q247R241-T243 PolarHBondContact O-N 2.84Å; T243-Q246 PolarHBondContact O-N 3.11Å; T243-Q247 WeakPolarHBondContact O-CB 3Å; T243-Q247 VanDerWaalsContact O-CG 3.24Å; T243-Q247 WeakPolarHBondContact O-CG 3.32Å; T243-Q247 PolarHBondContact O-N 3.21Å
244H92.8Very high91.3Very high77 Ų7745.3 Ų45.336%0.35624%0.24SC..Hα-helixtrans-60.8-46.6177.7174.2-92.9000112.1S216 R241 S242 Q247 M248S216-H244 PolarHBondContact O-CE1 3Å; R241-H244 PolarHBondContact O-N 3.38Å; S242-H244 PolarHBondContact O-N 3.45Å; H244-Q247 PolarHBondContact O-N 2.85Å; H244-M248 VanDerWaalsContact O-CB 3.3Å; H244-M248 WeakPolarHBondContact O-CB 3.34Å; H244-M248 PolarHBondContact O-N 3.17Å
245V93.8Very high90Very high0 Ų047.4 Ų47.40%025%0.254CS..Hα-helixtrans-66.6-41.5179.1173.80000111.3T214 F215 L236 R241 S242 M248 I249T214-V245 HydrophobicContact CG2-CG1 3.75Å; T214-V245 HydrophobicContact CG2-CG2 4.2Å; F215-V245 VanDerWaalsContact O-CG2 3.23Å; F215-V245 WeakPolarHBondContact O-CG2 3.48Å; L236-V245 HydrophobicContact CD2-CB 3.78Å; L236-V245 HydrophobicContact CD2-CG1 3.71Å; L236-V245 HydrophobicContact CD2-CG2 3.76Å; R241-V245 HydrophobicContact CB-CG2 4.46Å; R241-V245 WeakPolarHBondContact O-CG2 3.45Å; R241-V245 PolarHBondContact O-N 2.84Å; S242-V245 PolarHBondContact O-N 3.33Å; V245-M248 PolarHBondContact O-N 3.12Å; V245-I249 HydrophobicContact CG1-CD1 3.73Å; V245-I249 HydrophobicContact CG1-CG1 4.41Å; V245-I249 WeakPolarHBondContact O-CG1 3.23Å; V245-I249 PolarHBondContact O-N 2.9Å
246Q93.4Very high88.2Confident55 Ų5550.6 Ų50.626%0.25729%0.287SS..Hα-helixtrans-60.3-46.7175.4-78.6175-3.800111.7S242 T243 I249 N250 I274 Y276S242-Q246 WeakPolarHBondContact O-CB 3.39Å; S242-Q246 VanDerWaalsContact O-CG 3.29Å; S242-Q246 WeakPolarHBondContact O-CG 3.3Å; S242-Q246 PolarHBondContact O-N 3.17Å; T243-Q246 PolarHBondContact O-N 3.11Å; Q246-I249 PolarHBondContact O-N 2.85Å; Q246-N250 WeakPolarHBondContact O-CB 3.4Å; Q246-N250 PolarHBondContact O-N 2.73Å; Q246-N250 PolarHBondContact O-ND2 2.71Å; Q246-I274 HydrophobicContact CB-CD1 4.49Å; Q246-I274 HydrophobicContact CG-CD1 3.51Å; Q246-Y276 PolarHBondContact NE2-OH 3.36Å
247Q93Very high86Confident125 Ų12556.5 Ų56.558%0.58432%0.317SS*.Hα-helixtrans-60.7-46.1175.6-73.9171.3-11.800111.4T243 H244 I249 N250 T251T243-Q247 WeakPolarHBondContact O-CB 3Å; T243-Q247 VanDerWaalsContact O-CG 3.24Å; T243-Q247 WeakPolarHBondContact O-CG 3.32Å; T243-Q247 PolarHBondContact O-N 3.21Å; H244-Q247 PolarHBondContact O-N 2.85Å; Q247-I249 VanDerWaalsContact C-N 3.31Å; Q247-I249 PolarHBondContact O-N 3.48Å; Q247-N250 PolarHBondContact O-N 3Å; Q247-T251 WeakPolarHBondContact O-CB 3.4Å; Q247-T251 VanDerWaalsContact O-CG2 3.27Å; Q247-T251 WeakPolarHBondContact O-CG2 3.19Å; Q247-T251 PolarHBondContact O-N 3.1Å; Q247-T251 PolarHBondContact O-OG1 3.03Å
248M94.5Very high83.7Confident21 Ų2157.9 Ų57.910%0.10333%0.331CS..Hα-helixtrans-59.1-41.4178.5-172.768.2-134.200111.9N188 V221 H244 V245 T251 F252N188-M248 HydrophobicContact CB-CE 3.9Å; N188-M248 WeakPolarHBondContact ND2-CE 3.35Å; V221-M248 HydrophobicContact CB-CE 4.12Å; V221-M248 HydrophobicContact CG1-CE 3.94Å; V221-M248 HydrophobicContact CG2-CE 3.83Å; V221-M248 HydrophobicContact CG2-CG 3.91Å; V221-M248 WeakPolarHBondContact CG2-O 3.25Å; H244-M248 VanDerWaalsContact O-CB 3.3Å; H244-M248 WeakPolarHBondContact O-CB 3.34Å; H244-M248 PolarHBondContact O-N 3.17Å; V245-M248 PolarHBondContact O-N 3.12Å; M248-T251 PolarHBondContact O-OG1 2.99Å; M248-F252 HydrophobicContact CE-CD2 3.55Å; M248-F252 HydrophobicContact CE-CE2 3.52Å; M248-F252 HydrophobicContact CE-CG 4.27Å; M248-F252 HydrophobicContact CE-CZ 4.2Å; M248-F252 WeakPolarHBondContact O-CD2 3.42Å
249I93.8Very high81.3Confident0 Ų059.5 Ų59.50%034%0.342CS..Hα-helixtrans-75.2-44.9178.3-67.3169.4000111.3V221 L224 C234 V245 Q246 Q247 T251 F252 K253 I272 I274V221-I249 HydrophobicContact CG2-CG1 4.45Å; L224-I249 HydrophobicContact CD1-CG2 3.95Å; C234-I249 HydrophobicContact CB-CD1 4.35Å; V245-I249 HydrophobicContact CG1-CD1 3.73Å; V245-I249 HydrophobicContact CG1-CG1 4.41Å; V245-I249 WeakPolarHBondContact O-CG1 3.23Å; V245-I249 PolarHBondContact O-N 2.9Å; Q246-I249 PolarHBondContact O-N 2.85Å; Q247-I249 VanDerWaalsContact C-N 3.31Å; Q247-I249 PolarHBondContact O-N 3.48Å; I249-T251 VanDerWaalsContact C-N 3.26Å; I249-T251 PolarHBondContact O-N 3.22Å; I249-F252 CarbonylContact O-C 3.59Å; I249-F252 PolarHBondContact O-N 2.79Å; I249-F252 VanDerWaalsContact O-N 3.12Å; I249-K253 PolarHBondContact O-N 3.49Å; I249-I272 HydrophobicContact CG2-CD1 3.75Å; I249-I272 HydrophobicContact CG2-CG2 3.86Å; I249-I274 HydrophobicContact CD1-CD1 4.21Å
250N92.2Very high79.1Confident72 Ų7264.5 Ų64.539%0.38536%0.359SS..Hα-helixtrans-63.7-31-177-73.6-22.4000113Q246 Q247 F252 K253Q246-N250 WeakPolarHBondContact O-CB 3.4Å; Q246-N250 PolarHBondContact O-N 2.73Å; Q246-N250 PolarHBondContact O-ND2 2.71Å; Q247-N250 PolarHBondContact O-N 3Å; N250-F252 VanDerWaalsContact C-N 3.3Å; N250-K253 VanDerWaalsContact OD1-CE 3.28Å; N250-K253 WeakPolarHBondContact OD1-CE 3.44Å; N250-K253 PolarHBondContact OD1-NZ 2.86Å
251T92.4Very high77Confident15 Ų1568.5 Ų68.59%0.09237%0.367CS..THydrogen-bonded Turntrans-81.4-7.6178.752.90000113.8N16 Y180 G183 Q184 F185 Q247 M248 I249N16-T251 PolarHBondContact ND2-O 3.42Å; Y180-T251 HydrophobicContact CE2-CG2 4.2Å; G183-T251 WeakPolarHBondContact O-CG2 3.37Å; Q184-T251 WeakPolarHBondContact CA-O 3.35Å; Q184-T251 WeakPolarHBondContact CB-O 3.49Å; F185-T251 HydrophobicContact CD2-CG2 3.86Å; F185-T251 HydrophobicContact CE2-CG2 3.95Å; F185-T251 PolarHBondContact N-O 3.25Å; Q247-T251 WeakPolarHBondContact O-CB 3.4Å; Q247-T251 VanDerWaalsContact O-CG2 3.27Å; Q247-T251 WeakPolarHBondContact O-CG2 3.19Å; Q247-T251 PolarHBondContact O-N 3.1Å; Q247-T251 PolarHBondContact O-OG1 3.03Å; M248-T251 PolarHBondContact O-OG1 2.99Å; I249-T251 VanDerWaalsContact C-N 3.26Å; I249-T251 PolarHBondContact O-N 3.22Å
252F93Very high74.6Confident3 Ų370.4 Ų70.41%0.01338%0.383CS..THydrogen-bonded Turntrans-130.123.8-177.2-74.1-95.6000113.3N16 Y18 F185 F187 N188 V221 Q225 M248 I249 N250N16-F252 HydrophobicContact CB-CD1 3.71Å; N16-F252 HydrophobicContact CB-CE1 3.69Å; Y18-F252 WeakPolarHBondContact CD2-O 3.49Å; Y18-F252 WeakPolarHBondContact CE2-O 3.2Å; F185-F252 HydrophobicContact CB-CE2 3.98Å; F185-F252 HydrophobicContact CB-CZ 3.85Å; F185-F252 HydrophobicContact CD2-CE2 4.32Å; F187-F252 VanDerWaalsContact C-CZ 3.49Å; N188-F252 HydrophobicContact CB-CE1 3.87Å; N188-F252 HydrophobicContact CB-CE2 4.16Å; N188-F252 HydrophobicContact CB-CZ 3.5Å; N188-F252 VanDerWaalsContact CB-CZ 3.5Å; V221-F252 HydrophobicContact CB-CB 4.43Å; V221-F252 HydrophobicContact CG1-CB 3.57Å; V221-F252 HydrophobicContact CG1-CD1 3.75Å; V221-F252 HydrophobicContact CG1-CD2 4.27Å; V221-F252 HydrophobicContact CG1-CG 3.6Å; V221-F252 HydrophobicContact CG2-CB 4.03Å; V221-F252 HydrophobicContact CG2-CG 4.48Å; Q225-F252 PolarHBondContact NE2-O 3Å; M248-F252 HydrophobicContact CE-CD2 3.55Å; M248-F252 HydrophobicContact CE-CE2 3.52Å; M248-F252 HydrophobicContact CE-CG 4.27Å; M248-F252 HydrophobicContact CE-CZ 4.2Å; M248-F252 WeakPolarHBondContact O-CD2 3.42Å; I249-F252 CarbonylContact O-C 3.59Å; I249-F252 PolarHBondContact O-N 2.79Å; I249-F252 VanDerWaalsContact O-N 3.12Å; N250-F252 VanDerWaalsContact C-N 3.3Å
253K90.4Very high71.9Confident71 Ų7177.8 Ų77.831%0.30942%0.42SS..SBendtrans-115163.6173.270.9-179.6-171.8-174.70110.5Q184 I249 N250 S255 I272Q184-K253 PolarHBondContact NE2-O 3.23Å; I249-K253 PolarHBondContact O-N 3.49Å; N250-K253 VanDerWaalsContact OD1-CE 3.28Å; N250-K253 WeakPolarHBondContact OD1-CE 3.44Å; N250-K253 PolarHBondContact OD1-NZ 2.86Å; K253-S255 PolarHBondContact O-N 3.11Å; K253-I272 HydrophobicContact CB-CD1 3.89Å; K253-I272 HydrophobicContact CD-CD1 3.84Å
254A84.5Confident69.4Low19 Ų1979 Ų7916%0.15742%0.424CS..  trans-56.6123.1170.500000109.7Y18Y18-A254 HydrophobicContact CD1-CB 3.84Å; Y18-A254 HydrophobicContact CE1-CB 3.69Å; Y18-A254 HydrophobicContact CG-CB 4.48Å
255S68.9Low67.1Low43 Ų4383.9 Ų83.930%0.30145%0.447SS..  trans-77.4124.5170-71.30000107.1Q184 K253 I257Q184-S255 PolarHBondContact NE2-OG 3.41Å; Q184-S255 VanDerWaalsContact NE2-OG 3.1Å; K253-S255 PolarHBondContact O-N 3.11Å; S255-I257 PolarHBondContact O-N 3.14Å
256G56.9Low65Low67 Ų6789.9 Ų89.969%0.69147%0.474SS*.  trans-66.425.5179.700000115I258G256-I258 VanDerWaalsContact C-N 3.31Å; G256-I258 PolarHBondContact O-N 3.4Å
257I48.4Very low62.9Low126 Ų12691.8 Ų91.865%0.64649%0.487SS*.  trans-75.193.7168.5-56174.6000105.4S255 S259S255-I257 PolarHBondContact O-N 3.14Å; I257-S259 PolarHBondContact O-N 2.94Å
258I40.3Very low61.3Low133 Ų13388.7 Ų88.768%0.68247%0.474SS*.  trans-6298.9170.2-57.4165.7000106G256 E260G256-I258 VanDerWaalsContact C-N 3.31Å; G256-I258 PolarHBondContact O-N 3.4Å; I258-E260 HydrophobicContact CG2-CG 3.97Å; I258-E260 PolarHBondContact O-N 3.19Å
259S36.2Very low60.6Low69 Ų6993.3 Ų93.348%0.48350%0.499SS..  trans-74.8107.6156.254.30000105.9I257 E261I257-S259 PolarHBondContact O-N 2.94Å; S259-E261 PolarHBondContact O-N 2.85Å
260E39.8Very low60.4Low184 Ų18494.3 Ų94.386%0.8651%0.505SS*.THydrogen-bonded Turntrans-63.48.7-178.4-64.8-179.1162.300114.2I258I258-E260 HydrophobicContact CG2-CG 3.97Å; I258-E260 PolarHBondContact O-N 3.19Å
261E42.2Very low60.4Low179 Ų17995.2 Ų95.284%0.83651%0.506SS*.THydrogen-bonded Turntrans-118.85.8-168.4-65.4-172.1161.900115.3S259S259-E261 PolarHBondContact O-N 2.85Å
262N36.1Very low60.4Low111 Ų11196.5 Ų96.559%0.59451%0.512SS*.  trans-133.695.3175.1-65.9-53.1000111.6D264N262-D264 PolarHBondContact O-N 3.38Å
263D35.2Very low60.4Low179 Ų17998.1 Ų98.196%0.95752%0.52SS*.  trans-69.433.6170.2-80.8-30.1000113.3
264D39.5Very low60.5Low110 Ų11096.6 Ų96.659%0.58852%0.515SS*.  trans-80.3130.4172.2-77.5-27.5000109.1N262 Q266N262-D264 PolarHBondContact O-N 3.38Å; D264-Q266 HydrophobicContact CB-CB 4.49Å; D264-Q266 HydrophobicContact CB-CG 4.34Å; D264-Q266 PolarHBondContact O-N 3.04Å
265E45.4Very low60.9Low180 Ų18096.1 Ų96.184%0.84151%0.51SS*.THydrogen-bonded Turntrans-52.514.8172-72.8-172.6134.100115.4
266Q47.8Very low61.9Low125 Ų12598.8 Ų98.858%0.58451%0.514SS*.THydrogen-bonded Turntrans-94.3-10.6-170.7-66.4-169.710.900115.1D264 N268D264-Q266 HydrophobicContact CB-CB 4.49Å; D264-Q266 HydrophobicContact CB-CG 4.34Å; D264-Q266 PolarHBondContact O-N 3.04Å; Q266-N268 PolarHBondContact O-N 3.38Å
267N50.8Low63.4Low96 Ų9696.9 Ų96.951%0.51349%0.491SS..  trans-83.361.2172.8-94.6-16.5000112N269N267-N269 VanDerWaalsContact C-N 3.32Å; N267-N269 PolarHBondContact O-N 3.2Å
268N58.4Low65.2Low59 Ų5993.2 Ų93.232%0.31647%0.47SS..  trans-67.995163.7-87.1-6.1000108.5Q266 T270Q266-N268 PolarHBondContact O-N 3.38Å; N268-T270 PolarHBondContact O-N 3.39Å
269N80.8Confident67.4Low118 Ų11893.9 Ų93.963%0.63148%0.475SS*.  trans-71.179.7171.6-75.6-21.6000109.4N267 K271N267-N269 VanDerWaalsContact C-N 3.32Å; N267-N269 PolarHBondContact O-N 3.2Å; N269-K271 PolarHBondContact O-N 3.21Å
270T90.1Very high69.8Low21 Ų2194.2 Ų94.213%0.12947%0.472CS..  trans-55123.4173.1-55.80000109.3L224 L229 N230 L232 N268 I272L224-T270 HydrophobicContact CD2-CG2 3.86Å; L229-T270 HydrophobicContact CB-CG2 3.77Å; L229-T270 PolarHBondContact O-OG1 3.41Å; N230-T270 WeakPolarHBondContact O-CA 3.5Å; L232-T270 HydrophobicContact CB-CG2 4.28Å; N268-T270 PolarHBondContact O-N 3.39Å; T270-I272 HydrophobicContact CG2-CG1 4.37Å; T270-I272 PolarHBondContact O-N 3.17Å
271K91.3Very high71.9Confident92 Ų9286.1 Ų86.140%0.443%0.434SS..EExtended strand (participates in β ladder)trans-70.5125.4173.4-178173.3178.9177.70108.8N230 R231 L232 N269 D290N230-K271 PolarHBondContact O-N 3.31Å; R231-K271 CarbonylContact C-O 3.49Å; R231-K271 VanDerWaalsContact CA-O 3.27Å; R231-K271 WeakPolarHBondContact CA-O 3.26Å; R231-K271 HydrophobicContact CB-CB 4.5Å; R231-K271 HydrophobicContact CG-CB 4.08Å; R231-K271 HydrophobicContact CG-CG 4.31Å; R231-K271 WeakPolarHBondContact CG-O 3.44Å; L232-K271 PolarHBondContact N-O 2.82Å; N269-K271 PolarHBondContact O-N 3.21Å; K271-D290 IonicContact NZ-OD2 3.34Å; K271-D290 PolarHBondContact NZ-OD2 2.75Å
272I92.5Very high73.9Confident42 Ų4281.1 Ų81.122%0.21542%0.424CS..EExtended strand (participates in β ladder)trans-120.3122.1-175.8-60.5173.2000109.2L224 L232 I249 K253 T270L224-I272 HydrophobicContact CD1-CD1 4.03Å; L224-I272 HydrophobicContact CD2-CD1 4.08Å; L224-I272 HydrophobicContact CD2-CG1 4.36Å; L232-I272 HydrophobicContact CB-CG1 4.46Å; L232-I272 WeakPolarHBondContact O-CA 3.2Å; I249-I272 HydrophobicContact CG2-CD1 3.75Å; I249-I272 HydrophobicContact CG2-CG2 3.86Å; K253-I272 HydrophobicContact CB-CD1 3.89Å; K253-I272 HydrophobicContact CD-CD1 3.84Å; T270-I272 HydrophobicContact CG2-CG1 4.37Å; T270-I272 PolarHBondContact O-N 3.17Å
273D92.1Very high76.3Confident36 Ų3678 Ų7819%0.19341%0.413CS..EExtended strand (participates in β ladder)trans-121.3144.9177.9-58.7-58.4000109.9R231 L232 L233 C234 Y284R231-D273 IonicContact CZ-OD2 3.18Å; R231-D273 IonicContact NE-OD2 2.75Å; R231-D273 PolarHBondContact NE-OD2 3.39Å; R231-D273 IonicContact NH2-OD2 2.77Å; R231-D273 PolarHBondContact NH2-OD2 3.44Å; L232-D273 PolarHBondContact O-N 2.93Å; L233-D273 WeakPolarHBondContact CA-O 3.5Å; L233-D273 HydrophobicContact CD1-CB 3.86Å; C234-D273 PolarHBondContact N-O 2.9Å; D273-Y284 HydrophobicContact CB-CE2 3.85Å; D273-Y284 WeakPolarHBondContact CB-OH 3.23Å; D273-Y284 VanDerWaalsContact CG-OH 3.3Å; D273-Y284 PolarHBondContact OD2-OH 2.92Å
274I92.7Very high78.6Confident40 Ų4070 Ų7021%0.20537%0.37CS..EExtended strand (participates in β ladder)trans-128.3124.4178.7-60.9173.5000108.6C234 L236 Q246 I249C234-I274 HydrophobicContact CB-CG1 4.36Å; C234-I274 WeakPolarHBondContact O-CA 3.26Å; L236-I274 HydrophobicContact CD1-CG2 3.88Å; L236-I274 HydrophobicContact CD2-CG2 4.39Å; L236-I274 HydrophobicContact CG-CG2 3.91Å; Q246-I274 HydrophobicContact CB-CD1 4.49Å; Q246-I274 HydrophobicContact CG-CD1 3.51Å; I249-I274 HydrophobicContact CD1-CD1 4.21Å
275V92.5Very high80.7Confident8 Ų868 Ų685%0.04836%0.356CS..EExtended strand (participates in β ladder)trans-111.2131.7175.9174.20000108.2L233 C234 V235 L236 S277 D280 Y284L233-V275 HydrophobicContact CD1-CB 4.38Å; L233-V275 HydrophobicContact CD1-CG2 3.68Å; C234-V275 PolarHBondContact O-N 3.05Å; V235-V275 WeakPolarHBondContact CA-O 3.39Å; L236-V275 PolarHBondContact N-O 2.76Å; V275-S277 WeakPolarHBondContact CG1-O 3.28Å; V275-D280 HydrophobicContact CG1-CB 3.67Å; V275-Y284 HydrophobicContact CG2-CD1 4.3Å; V275-Y284 HydrophobicContact CG2-CD2 3.65Å; V275-Y284 HydrophobicContact CG2-CE2 4.28Å; V275-Y284 HydrophobicContact CG2-CG 3.65Å
276Y91.4Very high82.4Confident100 Ų10063.5 Ų63.539%0.39234%0.344SS..SBendtrans-85.4-13.6-166.3-63.6-88.2000114.6L236 Q246L236-Y276 HydrophobicContact CD1-CD1 3.74Å; L236-Y276 HydrophobicContact CD1-CE1 4.27Å; L236-Y276 HydrophobicContact CD1-CG 4.5Å; Q246-Y276 PolarHBondContact NE2-OH 3.36Å
277S87.5Confident83.8Confident27 Ų2763.2 Ų63.219%0.18935%0.346CS..  trans-152.6165.2175.376.10000111.7V275 D279 D280V275-S277 WeakPolarHBondContact CG1-O 3.28Å; S277-D279 PolarHBondContact O-N 2.93Å; S277-D279 PolarHBondContact OG-N 3.45Å; S277-D280 WeakPolarHBondContact CB-OD2 3.45Å; S277-D280 PolarHBondContact N-OD2 3.14Å; S277-D280 PolarHBondContact OG-N 3.04Å; S277-D280 VanDerWaalsContact OG-N 3.15Å; S277-D280 PolarHBondContact OG-OD2 2.81Å
278H86.4Confident84.6Confident48 Ų4863 Ų6322%0.22235%0.345CS..SBendtrans-67.5-27170.1-87.4-78.7000113M212 D280 L281 L337M212-H278 PolarHBondContact O-CE1 2.91Å; M212-H278 PolarHBondContact O-NE2 2.82Å; H278-D280 VanDerWaalsContact C-N 3.31Å; H278-L281 WeakPolarHBondContact O-CB 3.2Å; H278-L281 PolarHBondContact O-N 3.42Å; H278-L337 WeakPolarHBondContact CE1-CD2 3.09Å; H278-L337 WeakPolarHBondContact NE2-CD2 3.45Å
279D85.8Confident85.1Confident147 Ų14761.3 Ų61.379%0.78634%0.336SS*.THydrogen-bonded Turntrans-70.7-32.4-178.5-59.7-31.4000111S277 L281S277-D279 PolarHBondContact O-N 2.93Å; S277-D279 PolarHBondContact OG-N 3.45Å; D279-L281 PolarHBondContact O-N 3.25Å
280D86.5Confident84.4Confident77 Ų7759.7 Ų59.741%0.41233%0.328SS..THydrogen-bonded Turntrans-74.9-13.2176.3-57.8-40.4000113V275 S277 H278 A282 A283 Y284V275-D280 HydrophobicContact CG1-CB 3.67Å; S277-D280 WeakPolarHBondContact CB-OD2 3.45Å; S277-D280 PolarHBondContact N-OD2 3.14Å; S277-D280 PolarHBondContact OG-N 3.04Å; S277-D280 VanDerWaalsContact OG-N 3.15Å; S277-D280 PolarHBondContact OG-OD2 2.81Å; H278-D280 VanDerWaalsContact C-N 3.31Å; D280-A282 VanDerWaalsContact C-N 3.32Å; D280-A282 PolarHBondContact O-N 3.42Å; D280-A283 PolarHBondContact O-N 2.67Å; D280-Y284 PolarHBondContact O-N 3.28Å
281L85.5Confident83Confident13 Ų1368.3 Ų68.37%0.06836%0.363CS..Hα-helixtrans-63.1-39.9-173.7-172.360.7000111.5M212 L233 V235 H278 D279 A283 Y284 F285M212-L281 HydrophobicContact CE-CD2 4.31Å; L233-L281 HydrophobicContact CD2-CD1 4.07Å; V235-L281 HydrophobicContact CG2-CD1 3.76Å; V235-L281 HydrophobicContact CG2-CD2 4.49Å; H278-L281 WeakPolarHBondContact O-CB 3.2Å; H278-L281 PolarHBondContact O-N 3.42Å; D279-L281 PolarHBondContact O-N 3.25Å; L281-A283 PolarHBondContact O-N 3.06Å; L281-Y284 WeakPolarHBondContact O-CB 3.45Å; L281-Y284 PolarHBondContact O-N 3.12Å; L281-F285 HydrophobicContact CD1-CD2 4.13Å; L281-F285 HydrophobicContact CD1-CE2 3.43Å; L281-F285 VanDerWaalsContact CD1-CE2 3.43Å; L281-F285 HydrophobicContact CD1-CZ 4.15Å; L281-F285 HydrophobicContact CD2-CE2 4.08Å; L281-F285 HydrophobicContact CG-CD2 3.92Å; L281-F285 HydrophobicContact CG-CE2 3.46Å; L281-F285 VanDerWaalsContact CG-CE2 3.46Å; L281-F285 WeakPolarHBondContact O-CD2 3.46Å; L281-F285 PolarHBondContact O-N 3.1Å
282A84.4Confident81.5Confident74 Ų7470.8 Ų70.861%0.61238%0.381SS*.Hα-helixtrans-63.2-41.117700000112.2D280 F285 S286D280-A282 VanDerWaalsContact C-N 3.32Å; D280-A282 PolarHBondContact O-N 3.42Å; A282-F285 PolarHBondContact O-N 3.27Å; A282-S286 PolarHBondContact O-N 2.88Å; A282-S286 VanDerWaalsContact O-N 3.12Å
283A85.1Confident80.3Confident45 Ų4574.2 Ų74.237%0.37239%0.392SS..Hα-helixtrans-67.2-37.5176.900000111.9D280 L281 F285 S286 N287D280-A283 PolarHBondContact O-N 2.67Å; L281-A283 PolarHBondContact O-N 3.06Å; A283-F285 VanDerWaalsContact C-N 3.33Å; A283-F285 PolarHBondContact O-N 2.9Å; A283-S286 WeakPolarHBondContact CA-OG 3.34Å; A283-S286 PolarHBondContact O-N 3.47Å; A283-S286 PolarHBondContact O-OG 2.9Å; A283-N287 WeakPolarHBondContact O-CB 2.93Å; A283-N287 PolarHBondContact O-N 2.8Å
284Y84.9Confident79.9Confident12 Ų1278.6 Ų78.65%0.04741%0.409CS..Hα-helixtrans-60.1-43.8172.5174.8-94.8000111.5R231 L233 D273 V275 D280 L281 S286 N287 D288 I289 F295R231-Y284 PolarHBondContact NH2-OH 3.39Å; L233-Y284 HydrophobicContact CD1-CD1 4.44Å; L233-Y284 HydrophobicContact CD1-CE1 3.93Å; L233-Y284 HydrophobicContact CD1-CE2 4.21Å; L233-Y284 HydrophobicContact CD2-CD1 4.01Å; L233-Y284 HydrophobicContact CD2-CE1 3.56Å; L233-Y284 HydrophobicContact CG-CE1 4.33Å; D273-Y284 HydrophobicContact CB-CE2 3.85Å; D273-Y284 WeakPolarHBondContact CB-OH 3.23Å; D273-Y284 VanDerWaalsContact CG-OH 3.3Å; D273-Y284 PolarHBondContact OD2-OH 2.92Å; V275-Y284 HydrophobicContact CG2-CD1 4.3Å; V275-Y284 HydrophobicContact CG2-CD2 3.65Å; V275-Y284 HydrophobicContact CG2-CE2 4.28Å; V275-Y284 HydrophobicContact CG2-CG 3.65Å; D280-Y284 PolarHBondContact O-N 3.28Å; L281-Y284 WeakPolarHBondContact O-CB 3.45Å; L281-Y284 PolarHBondContact O-N 3.12Å; Y284-S286 VanDerWaalsContact C-N 3.28Å; Y284-S286 PolarHBondContact O-N 2.99Å; Y284-N287 PolarHBondContact O-N 3.06Å; Y284-D288 HydrophobicContact CD2-CB 3.69Å; Y284-D288 HydrophobicContact CE2-CB 3.75Å; Y284-D288 HydrophobicContact CG-CB 4.44Å; Y284-D288 PolarHBondContact O-N 2.75Å; Y284-I289 HydrophobicContact CD1-CD1 3.78Å; Y284-I289 HydrophobicContact CD1-CG1 4.01Å; Y284-I289 HydrophobicContact CE1-CD1 3.45Å; Y284-I289 VanDerWaalsContact CE1-CD1 3.45Å; Y284-I289 HydrophobicContact CE1-CG1 3.56Å; Y284-F295 HydrophobicContact CE1-CE2 4.45Å
285F82.3Confident79.9Confident69 Ų6977 Ų7730%0.30340%0.401SS..Hα-helixtrans-64.3-29.2175.7-77.3-72.1000113.5L233 L281 A282 A283 I289 F295 L344L233-F285 HydrophobicContact CD2-CZ 4.47Å; L281-F285 HydrophobicContact CD1-CD2 4.13Å; L281-F285 HydrophobicContact CD1-CE2 3.43Å; L281-F285 VanDerWaalsContact CD1-CE2 3.43Å; L281-F285 HydrophobicContact CD1-CZ 4.15Å; L281-F285 HydrophobicContact CD2-CE2 4.08Å; L281-F285 HydrophobicContact CG-CD2 3.92Å; L281-F285 HydrophobicContact CG-CE2 3.46Å; L281-F285 VanDerWaalsContact CG-CE2 3.46Å; L281-F285 WeakPolarHBondContact O-CD2 3.46Å; L281-F285 PolarHBondContact O-N 3.1Å; A282-F285 PolarHBondContact O-N 3.27Å; A283-F285 VanDerWaalsContact C-N 3.33Å; A283-F285 PolarHBondContact O-N 2.9Å; F285-I289 HydrophobicContact CB-CD1 4.29Å; F285-I289 HydrophobicContact CD1-CD1 2.99Å; F285-I289 HydrophobicContact CD1-CG1 4.34Å; F285-I289 HydrophobicContact CE1-CD1 3.08Å; F285-I289 HydrophobicContact CG-CD1 3.82Å; F285-I289 HydrophobicContact CZ-CD1 4.06Å; F285-F295 HydrophobicContact CE1-CD2 4.02Å; F285-F295 AromaticContact CE1-CE2 3.87Å; F285-F295 HydrophobicContact CE1-CE2 3.87Å; F285-F295 HydrophobicContact CZ-CD2 4.16Å; F285-F295 AromaticContact CZ-CE2 3.99Å; F285-F295 HydrophobicContact CZ-CE2 3.99Å; F285-L344 HydrophobicContact CD1-CD1 4.23Å; F285-L344 HydrophobicContact CD2-CD1 4.42Å; F285-L344 HydrophobicContact CE1-CD1 3.4Å; F285-L344 HydrophobicContact CE2-CD1 3.54Å; F285-L344 HydrophobicContact CE2-CD2 4.05Å; F285-L344 HydrophobicContact CE2-CG 4.45Å; F285-L344 HydrophobicContact CZ-CD1 3.06Å; F285-L344 HydrophobicContact CZ-CD2 3.76Å; F285-L344 HydrophobicContact CZ-CG 4.03Å
286S81.2Confident80Confident84 Ų8477.9 Ų77.959%0.58741%0.405SS*.Hα-helixtrans-82.8-31.8178.965.70000113.8A282 A283 Y284A282-S286 PolarHBondContact O-N 2.88Å; A282-S286 VanDerWaalsContact O-N 3.12Å; A283-S286 WeakPolarHBondContact CA-OG 3.34Å; A283-S286 PolarHBondContact O-N 3.47Å; A283-S286 PolarHBondContact O-OG 2.9Å; Y284-S286 VanDerWaalsContact C-N 3.28Å; Y284-S286 PolarHBondContact O-N 2.99Å
287N77.1Confident80.3Confident119 Ų11973.4 Ų73.464%0.63639%0.388SS*.Hα-helixtrans-109.2-36.3-166.7-61.1-11.9000113.9A283 Y284A283-N287 WeakPolarHBondContact O-CB 2.93Å; A283-N287 PolarHBondContact O-N 2.8Å; Y284-N287 PolarHBondContact O-N 3.06Å
288D68Low80.8Confident91 Ų9172.1 Ų72.149%0.48738%0.379SS..SBendtrans-115.61.5-162.5-61-42.7000113.8R231 Y284R231-D288 PolarHBondContact NH2-O 2.92Å; Y284-D288 HydrophobicContact CD2-CB 3.69Å; Y284-D288 HydrophobicContact CE2-CB 3.75Å; Y284-D288 HydrophobicContact CG-CB 4.44Å; Y284-D288 PolarHBondContact O-N 2.75Å
289I69.4Low81.4Confident25 Ų2569.8 Ų69.813%0.12837%0.368CS..SBendtrans-105.7112.9180-61.7-175.4000110Y284 F285 K291 F295Y284-I289 HydrophobicContact CD1-CD1 3.78Å; Y284-I289 HydrophobicContact CD1-CG1 4.01Å; Y284-I289 HydrophobicContact CE1-CD1 3.45Å; Y284-I289 VanDerWaalsContact CE1-CD1 3.45Å; Y284-I289 HydrophobicContact CE1-CG1 3.56Å; F285-I289 HydrophobicContact CB-CD1 4.29Å; F285-I289 HydrophobicContact CD1-CD1 2.99Å; F285-I289 HydrophobicContact CD1-CG1 4.34Å; F285-I289 HydrophobicContact CE1-CD1 3.08Å; F285-I289 HydrophobicContact CG-CD1 3.82Å; F285-I289 HydrophobicContact CZ-CD1 4.06Å; I289-K291 PolarHBondContact O-N 2.87Å; I289-F295 HydrophobicContact CD1-CE2 4.15Å
290D66.6Low81.9Confident84 Ų8462.8 Ų62.845%0.44933%0.331SS..  trans-44.1111.9157.3-58.4-48.5000108R231 K271 D292 Y293R231-D290 IonicContact NH1-OD2 3.93Å; K271-D290 IonicContact NZ-OD2 3.34Å; K271-D290 PolarHBondContact NZ-OD2 2.75Å; D290-D292 PolarHBondContact O-N 2.77Å; D290-Y293 HydrophobicContact CB-CD2 3.34Å; D290-Y293 HydrophobicContact CB-CE2 3.75Å; D290-Y293 HydrophobicContact CB-CG 4.42Å; D290-Y293 PolarHBondContact O-N 3.24Å
291K59.6Low82.3Confident201 Ų20160.4 Ų60.487%0.87432%0.318SS*.THydrogen-bonded Turntrans-51.3-18.7-168.7-71.6-179.4178.2176.20114.7I289I289-K291 PolarHBondContact O-N 2.87Å
292D60.1Low82.8Confident145 Ų14560 Ų6078%0.77532%0.316SS*.THydrogen-bonded Turntrans-87.7-9.1-178.1-59.2-36.1000114.3D290D290-D292 PolarHBondContact O-N 2.77Å
293Y67.3Low83.2Confident113 Ų11357 Ų5744%0.44329%0.29SS..  trans-109.5105.4-171.2-64.6-89.9000112.5D290D290-Y293 HydrophobicContact CB-CD2 3.34Å; D290-Y293 HydrophobicContact CB-CE2 3.75Å; D290-Y293 HydrophobicContact CB-CG 4.42Å; D290-Y293 PolarHBondContact O-N 3.24Å
294K83Confident83.7Confident129 Ų12955 Ų5556%0.56127%0.274SS*.  trans-101.5146172-56.4179.5179.91780110.5Q346K294-Q346 HydrophobicContact CB-CB 3.66Å; K294-Q346 HydrophobicContact CB-CG 4.48Å; K294-Q346 HydrophobicContact CD-CB 4.1Å; K294-Q346 PolarHBondContact O-OE1 3.44Å
295F92.9Very high84Confident6 Ų654.8 Ų54.83%0.02627%0.274CS..  trans-77.5127.2177.5-67.8-79.7000110.3N208 V210 R231 L233 Y284 F285 I289 Q346N208-F295 HydrophobicContact CB-CD1 3.88Å; N208-F295 HydrophobicContact CB-CE1 4.45Å; V210-F295 HydrophobicContact CB-CD1 4.45Å; V210-F295 HydrophobicContact CG2-CB 3.56Å; V210-F295 HydrophobicContact CG2-CD1 3.2Å; V210-F295 HydrophobicContact CG2-CD2 3.37Å; V210-F295 HydrophobicContact CG2-CE1 3.59Å; V210-F295 HydrophobicContact CG2-CE2 3.74Å; V210-F295 HydrophobicContact CG2-CG 3.08Å; V210-F295 HydrophobicContact CG2-CZ 3.85Å; R231-F295 HydrophobicContact CG-CE1 4.39Å; L233-F295 HydrophobicContact CB-CE1 3.77Å; L233-F295 HydrophobicContact CB-CE2 4.45Å; L233-F295 HydrophobicContact CB-CZ 3.55Å; L233-F295 HydrophobicContact CD2-CE2 3.81Å; L233-F295 HydrophobicContact CD2-CZ 3.71Å; L233-F295 HydrophobicContact CG-CZ 4.27Å; Y284-F295 HydrophobicContact CE1-CE2 4.45Å; F285-F295 HydrophobicContact CE1-CD2 4.02Å; F285-F295 AromaticContact CE1-CE2 3.87Å; F285-F295 HydrophobicContact CE1-CE2 3.87Å; F285-F295 HydrophobicContact CZ-CD2 4.16Å; F285-F295 AromaticContact CZ-CE2 3.99Å; F285-F295 HydrophobicContact CZ-CE2 3.99Å; I289-F295 HydrophobicContact CD1-CE2 4.15Å; F295-Q346 PolarHBondContact O-N 2.92Å
296N95.6Very high84.4Confident27 Ų2752.4 Ų52.414%0.14427%0.267CS..  trans-106.7-11-176.474.3-42.5000113.4D207 N208 Q346 G349 Y350D207-N296 PolarHBondContact OD1-ND2 2.93Å; N208-N296 PolarHBondContact N-OD1 2.87Å; N208-N296 PolarHBondContact O-N 3.3Å; N208-N296 VanDerWaalsContact O-N 3.09Å; N208-N296 PolarHBondContact O-OD1 3.29Å; N208-N296 VanDerWaalsContact O-OD1 3.04Å; N296-Q346 HydrophobicContact CB-CG 3.87Å; N296-G349 CarbonylContact O-C 3.56Å; N296-G349 WeakPolarHBondContact O-CA 3.33Å; N296-Y350 PolarHBondContact O-N 2.94Å
297K97.7Very high84.9Confident5 Ų549.4 Ų49.42%0.02224%0.244CC..EExtended strand (participates in β ladder)trans-129.4120.4175-62.6-64.1-169.3170.30109.2L201 N202 L203 D207 N208 M209 V210 Y350L201-K297 HydrophobicContact CD1-CB 4.14Å; L201-K297 HydrophobicContact CD1-CD 4.17Å; L201-K297 HydrophobicContact CD2-CB 4.14Å; L201-K297 HydrophobicContact CG-CB 4.14Å; L201-K297 HydrophobicContact CG-CD 4.18Å; L201-K297 PolarHBondContact O-NZ 2.9Å; N202-K297 WeakPolarHBondContact O-CE 2.84Å; N202-K297 PolarHBondContact O-NZ 3.44Å; L203-K297 HydrophobicContact CD2-CB 3.99Å; L203-K297 HydrophobicContact CD2-CD 4.41Å; L203-K297 HydrophobicContact CD2-CG 3.79Å; D207-K297 HydrophobicContact CB-CG 3.99Å; D207-K297 WeakPolarHBondContact OD2-CE 3.42Å; D207-K297 VanDerWaalsContact OD2-CG 3.23Å; D207-K297 WeakPolarHBondContact OD2-CG 3.5Å; N208-K297 PolarHBondContact O-N 3Å; M209-K297 CarbonylContact C-O 3.51Å; M209-K297 WeakPolarHBondContact CA-O 3.25Å; M209-K297 HydrophobicContact CB-CB 4.27Å; M209-K297 HydrophobicContact CG-CB 4.39Å; V210-K297 PolarHBondContact N-O 2.64Å; K297-Y350 CarbonylContact C-O 3.5Å; K297-Y350 WeakPolarHBondContact CA-O 3.48Å; K297-Y350 HydrophobicContact CD-CD2 4.23Å
298I97.9Very high85.5Confident0 Ų044.7 Ų44.70%022%0.218CC..EExtended strand (participates in β ladder)trans-123.6125178.5-57.1-172.6000109.6V210 M212 V300 A341 L344 C345 Y350 V351 V352V210-I298 HydrophobicContact CB-CG1 4.42Å; V210-I298 WeakPolarHBondContact O-CA 3.32Å; M212-I298 HydrophobicContact CG-CG2 3.81Å; M212-I298 HydrophobicContact SD-CG2 3.61Å; I298-V300 HydrophobicContact CG2-CG2 3.99Å; I298-A341 VanDerWaalsContact CD1-O 3.32Å; I298-A341 WeakPolarHBondContact CD1-O 3.28Å; I298-A341 HydrophobicContact CG2-CB 3.83Å; I298-L344 HydrophobicContact CD1-CB 3.91Å; I298-L344 HydrophobicContact CD1-CD2 4.03Å; I298-L344 HydrophobicContact CD1-CG 3.75Å; I298-C345 VanDerWaalsContact CD1-CA 3.41Å; I298-C345 HydrophobicContact CD1-CB 3.69Å; I298-C345 VanDerWaalsContact CD1-N 3.31Å; I298-C345 HydrophobicContact CG1-CB 4.37Å; I298-Y350 PolarHBondContact N-O 2.93Å; I298-V351 HydrophobicContact CB-CG1 4.37Å; I298-V351 HydrophobicContact CB-CG2 4.16Å; I298-V351 HydrophobicContact CG2-CG1 4.44Å; I298-V351 CarbonylContact O-C 3.57Å; I298-V351 VanDerWaalsContact O-CA 3.31Å; I298-V351 WeakPolarHBondContact O-CA 3.47Å; I298-V352 PolarHBondContact O-N 3.11Å
299L98.3Very high86.4Confident0 Ų044.1 Ų44.10%021%0.209CC..EExtended strand (participates in β ladder)trans-101.6124.6169.1173.766.3000109.1T197 I198 L201 M209 V210 M212 K219 N301 V352T197-L299 HydrophobicContact CG2-CD1 3.62Å; I198-L299 HydrophobicContact CD1-CD2 3.98Å; L201-L299 HydrophobicContact CD2-CB 4.46Å; M209-L299 HydrophobicContact CE-CB 3.68Å; M209-L299 HydrophobicContact CE-CD2 3.9Å; M209-L299 HydrophobicContact CE-CG 4.46Å; V210-L299 PolarHBondContact O-N 2.9Å; M212-L299 PolarHBondContact N-O 3.08Å; K219-L299 HydrophobicContact CB-CD2 3.75Å; K219-L299 HydrophobicContact CD-CD2 3.79Å; K219-L299 HydrophobicContact CG-CD2 4.4Å; L299-N301 HydrophobicContact CG-CB 4.36Å; L299-V352 HydrophobicContact CD1-CB 4.37Å; L299-V352 HydrophobicContact CD1-CG1 4.16Å
300V96.3Very high87.3Confident0 Ų043.4 Ų43.40%021%0.207CC..EExtended strand (participates in β ladder)trans-115.379.7174.7-153.60000108.1I298 V302 L337 A341 V351 V352 S354I298-V300 HydrophobicContact CG2-CG2 3.99Å; V300-V302 HydrophobicContact CB-CG1 4.43Å; V300-V302 HydrophobicContact CG1-CG1 3.61Å; V300-V302 PolarHBondContact O-N 3.07Å; V300-L337 HydrophobicContact CG1-CB 3.94Å; V300-A341 HydrophobicContact CG2-CB 3.21Å; V300-V351 HydrophobicContact CG2-CG1 3.65Å; V300-V352 PolarHBondContact N-O 3.14Å; V300-S354 PolarHBondContact O-N 3.46Å
301N95.5Very high88.1Confident27 Ų2741.6 Ų41.614%0.14420%0.197CC..EExtended strand (participates in β ladder)trans-84.183.4172.717985.5000109S213 K219 L299 S354S213-N301 VanDerWaalsContact CB-O 3.23Å; S213-N301 WeakPolarHBondContact CB-O 3.15Å; S213-N301 PolarHBondContact OG-O 3.11Å; K219-N301 HydrophobicContact CD-CB 4.2Å; K219-N301 WeakPolarHBondContact CE-OD1 3.34Å; K219-N301 PolarHBondContact NZ-OD1 3.34Å; L299-N301 HydrophobicContact CG-CB 4.36Å; N301-S354 WeakPolarHBondContact CA-O 3.24Å; N301-S354 WeakPolarHBondContact CA-OG 3.3Å
302V95.5Very high89.1Confident4 Ų435.7 Ų35.72%0.02418%0.178CC..  trans-69.4153-165.8-690000113V300 C304 Q334 L337 Y353 S354 T355V300-V302 HydrophobicContact CB-CG1 4.43Å; V300-V302 HydrophobicContact CG1-CG1 3.61Å; V300-V302 PolarHBondContact O-N 3.07Å; V302-C304 PolarHBondContact O-N 3.05Å; V302-Q334 HydrophobicContact CB-CB 4.39Å; V302-Q334 HydrophobicContact CB-CG 3.89Å; V302-Q334 HydrophobicContact CG1-CB 4.44Å; V302-Q334 HydrophobicContact CG1-CG 4.46Å; V302-Q334 HydrophobicContact CG2-CB 4.27Å; V302-Q334 HydrophobicContact CG2-CG 3.69Å; V302-L337 HydrophobicContact CB-CD1 4.42Å; V302-L337 HydrophobicContact CG1-CB 4.06Å; V302-L337 HydrophobicContact CG1-CD1 4.02Å; V302-Y353 HydrophobicContact CB-CE2 4.28Å; V302-Y353 HydrophobicContact CG1-CD2 4.13Å; V302-Y353 HydrophobicContact CG1-CE2 3.65Å; V302-Y353 HydrophobicContact CG2-CD2 4.49Å; V302-Y353 HydrophobicContact CG2-CE2 3.6Å; V302-S354 WeakPolarHBondContact CG2-O 3.47Å; V302-S354 PolarHBondContact N-O 3.37Å; V302-S354 VanDerWaalsContact N-O 3.08Å; V302-T355 HydrophobicContact CG2-CG2 3.71Å
303P94Very high89.8Confident10 Ų1030 Ų307%0.06515%0.149CC..  trans-54.5129.7161.927.1-37.3000110.7R237 L330 I333 Q334 L337R237-P303 VanDerWaalsContact NH2-CB 3.32Å; P303-L330 HydrophobicContact CB-CD2 4.32Å; P303-I333 HydrophobicContact CG-CG2 3.66Å; P303-Q334 WeakPolarHBondContact O-CG 3.5Å; P303-Q334 PolarHBondContact O-NE2 3.14Å; P303-L337 VanDerWaalsContact CD-CD1 3.49Å; P303-L337 HydrophobicContact CG-CD1 3.97Å
304C94Very high89.7Confident5 Ų528.8 Ų28.83%0.03417%0.171CC..  trans-142.2-177.1177.659.50000110.7V302 A306 S356 T357 Q362V302-C304 PolarHBondContact O-N 3.05Å; C304-A306 PolarHBondContact O-N 2.81Å; C304-S356 PolarHBondContact SG-N 3.15Å; C304-S356 PolarHBondContact SG-OG 3.26Å; C304-T357 HydrophobicContact CB-CG2 3.83Å; C304-Q362 VanDerWaalsContact CB-OE1 3.29Å
305S90.9Very high88.8Confident6 Ų627.4 Ų27.44%0.04217%0.17CC..  trans-60.8-20.3173.851.20000114.1D307 T357 Q362S305-D307 PolarHBondContact O-N 2.82Å; S305-D307 PolarHBondContact OG-OD1 3.38Å; S305-T357 VanDerWaalsContact OG-CB 3.32Å; S305-T357 WeakPolarHBondContact OG-CB 3.35Å; S305-T357 PolarHBondContact OG-OG1 2.93Å; S305-Q362 PolarHBondContact OG-NE2 3.31Å
306A91.8Very high87.8Confident19 Ų1931.9 Ų31.916%0.15720%0.202CC..  trans50.656.417500000112C304 R308 Y309 A310 S356C304-A306 PolarHBondContact O-N 2.81Å; A306-R308 VanDerWaalsContact C-N 3.3Å; A306-R308 CarbonylContact O-C 3.55Å; A306-R308 PolarHBondContact O-N 2.87Å; A306-Y309 CarbonylContact O-C 3.6Å; A306-Y309 WeakPolarHBondContact O-CA 3.46Å; A306-Y309 WeakPolarHBondContact O-CB 3.49Å; A306-Y309 PolarHBondContact O-N 2.93Å; A306-A310 PolarHBondContact O-N 2.85Å; A306-S356 WeakPolarHBondContact CA-O 3.31Å
307D90.4Very high87.1Confident21 Ų2132.6 Ų32.611%0.11220%0.204CC..Hα-helixtrans-48.7-45.7-160.1-54.1-8.2000113.7S305 A310 I311 S356 T357 L358 P448S305-D307 PolarHBondContact O-N 2.82Å; S305-D307 PolarHBondContact OG-OD1 3.38Å; D307-A310 PolarHBondContact O-N 3.04Å; D307-I311 VanDerWaalsContact O-CD1 3.25Å; D307-I311 WeakPolarHBondContact O-CD1 3.39Å; D307-I311 WeakPolarHBondContact O-CG1 3.17Å; D307-I311 PolarHBondContact O-N 2.89Å; D307-S356 PolarHBondContact N-O 3.34Å; D307-T357 VanDerWaalsContact CG-OG1 3.24Å; D307-T357 VanDerWaalsContact OD1-CB 3.3Å; D307-T357 WeakPolarHBondContact OD1-CB 3.4Å; D307-T357 PolarHBondContact OD1-OG1 3.14Å; D307-T357 WeakPolarHBondContact OD2-CA 3.5Å; D307-T357 PolarHBondContact OD2-OG1 3.21Å; D307-L358 WeakPolarHBondContact OD2-CB 3.29Å; D307-L358 PolarHBondContact OD2-N 2.94Å; D307-P448 HydrophobicContact CB-CG 4.48Å
308R90.2Very high86.3Confident21 Ų2132.8 Ų32.88%0.07921%0.206CC..Hα-helixtrans-62.2-49.3175.4-175.1-178.9-60.3-785.2112.1A4 L5 M7 A306 A310 I311 T312 P440 N445 G447A4-R308 PolarHBondContact O-NH1 3.29Å; L5-R308 HydrophobicContact CD2-CB 4.06Å; L5-R308 PolarHBondContact O-NH1 3.19Å; M7-R308 PolarHBondContact O-NH1 3.09Å; A306-R308 VanDerWaalsContact C-N 3.3Å; A306-R308 CarbonylContact O-C 3.55Å; A306-R308 PolarHBondContact O-N 2.87Å; R308-A310 VanDerWaalsContact C-N 3.3Å; R308-A310 PolarHBondContact O-N 2.95Å; R308-I311 PolarHBondContact O-N 2.9Å; R308-I311 VanDerWaalsContact O-N 3.14Å; R308-T312 HydrophobicContact CG-CG2 4.29Å; R308-T312 WeakPolarHBondContact O-CG2 3.43Å; R308-T312 PolarHBondContact O-N 3.35Å; R308-T312 PolarHBondContact O-OG1 3.35Å; R308-T312 VanDerWaalsContact O-OG1 3.12Å; R308-P440 VanDerWaalsContact NH2-CB 3.32Å; R308-P440 VanDerWaalsContact NH2-CG 3.26Å; R308-N445 PolarHBondContact NH1-ND2 2.93Å; R308-N445 PolarHBondContact NH1-OD1 3.29Å; R308-N445 PolarHBondContact NH2-OD1 3.45Å; R308-G447 PolarHBondContact NE-O 3.36Å; R308-G447 PolarHBondContact NH2-O 3.46Å
309Y88.2Confident85.7Confident78 Ų7836.5 Ų36.531%0.30622%0.222SC..Hα-helixtrans-61.2-39.9179.1-179.9-98.1000111.5A306 I311 T312 S313 D315 H317A306-Y309 CarbonylContact O-C 3.6Å; A306-Y309 WeakPolarHBondContact O-CA 3.46Å; A306-Y309 WeakPolarHBondContact O-CB 3.49Å; A306-Y309 PolarHBondContact O-N 2.93Å; Y309-I311 PolarHBondContact O-N 3.28Å; Y309-T312 PolarHBondContact O-N 3.45Å; Y309-S313 WeakPolarHBondContact CD2-OG 3.36Å; Y309-S313 WeakPolarHBondContact CE2-OG 3.36Å; Y309-S313 WeakPolarHBondContact O-CB 3.25Å; Y309-S313 PolarHBondContact O-N 2.75Å; Y309-S313 PolarHBondContact O-OG 2.83Å; Y309-D315 VanDerWaalsContact OH-CB 3.29Å; Y309-D315 WeakPolarHBondContact OH-CB 3.48Å; Y309-D315 PolarHBondContact OH-OD2 3.34Å; Y309-H317 HydrophobicContact CD1-CB 4.37Å; Y309-H317 HydrophobicContact CE1-CB 4.29Å
310A87.1Confident84.9Confident11 Ų1137.6 Ų37.69%0.09123%0.233CC..Hα-helixtrans-62.7-25.9176.900000113.9A306 D307 R308 H317 F319A306-A310 PolarHBondContact O-N 2.85Å; D307-A310 PolarHBondContact O-N 3.04Å; R308-A310 VanDerWaalsContact C-N 3.3Å; R308-A310 PolarHBondContact O-N 2.95Å; A310-H317 HydrophobicContact CB-CB 4.35Å; A310-F319 HydrophobicContact CB-CD2 3.68Å; A310-F319 HydrophobicContact CB-CE2 4Å
311I83.3Confident84.3Confident46 Ų4647 Ų4724%0.23628%0.28CS..Hα-helixtrans-90.1-40.5179.8-64163.6000111.3L5 L6 F104 D307 R308 Y309L5-I311 HydrophobicContact CB-CD1 3.91Å; L5-I311 HydrophobicContact CD1-CD1 4.22Å; L6-I311 HydrophobicContact CD2-CG2 3.42Å; L6-I311 VanDerWaalsContact CD2-CG2 3.42Å; L6-I311 HydrophobicContact CG-CG2 4.33Å; F104-I311 HydrophobicContact CE1-CD1 4.44Å; F104-I311 HydrophobicContact CE1-CG1 3.98Å; F104-I311 HydrophobicContact CE2-CD1 3.86Å; F104-I311 HydrophobicContact CE2-CG1 4.28Å; F104-I311 HydrophobicContact CZ-CD1 3.39Å; F104-I311 HydrophobicContact CZ-CG1 3.38Å; D307-I311 VanDerWaalsContact O-CD1 3.25Å; D307-I311 WeakPolarHBondContact O-CD1 3.39Å; D307-I311 WeakPolarHBondContact O-CG1 3.17Å; D307-I311 PolarHBondContact O-N 2.89Å; R308-I311 PolarHBondContact O-N 2.9Å; R308-I311 VanDerWaalsContact O-N 3.14Å; Y309-I311 PolarHBondContact O-N 3.28Å
312T81.3Confident83.8Confident77 Ų7749.4 Ų49.447%0.47231%0.311SS..Hα-helixtrans-93.6-11.4-170.264.80000114R308 Y309R308-T312 HydrophobicContact CG-CG2 4.29Å; R308-T312 WeakPolarHBondContact O-CG2 3.43Å; R308-T312 PolarHBondContact O-N 3.35Å; R308-T312 PolarHBondContact O-OG1 3.35Å; R308-T312 VanDerWaalsContact O-OG1 3.12Å; Y309-T312 PolarHBondContact O-N 3.45Å
313S75.7Confident83.3Confident24 Ų2451.9 Ų51.917%0.16832%0.322CS..  trans-104.6132.9-172.9-44.10000110.7Y309 D315Y309-S313 WeakPolarHBondContact CD2-OG 3.36Å; Y309-S313 WeakPolarHBondContact CE2-OG 3.36Å; Y309-S313 WeakPolarHBondContact O-CB 3.25Å; Y309-S313 PolarHBondContact O-N 2.75Å; Y309-S313 PolarHBondContact O-OG 2.83Å; S313-D315 PolarHBondContact O-N 2.8Å
314G64.3Low82.8Confident88 Ų8854 Ų5491%0.90734%0.341SS*.SBendtrans-78.9-3.1167.100000113.9
315D64.3Low82.5Confident100 Ų10063.1 Ų63.154%0.53537%0.374SS..SBendtrans-77.1174.3-176.9-70.2-22.8000113.1Y309 S313 H317Y309-D315 VanDerWaalsContact OH-CB 3.29Å; Y309-D315 WeakPolarHBondContact OH-CB 3.48Å; Y309-D315 PolarHBondContact OH-OD2 3.34Å; S313-D315 PolarHBondContact O-N 2.8Å; D315-H317 PolarHBondContact O-CD2 3.31Å; D315-H317 PolarHBondContact O-N 2.66Å
316S71.3Confident82.3Confident100 Ų10065.8 Ų65.870%0.69939%0.388SS*.  trans-58.391.9170.3172.30000112.4
317H81.1Confident82Confident42 Ų4269.1 Ų69.119%0.19440%0.396CS..  trans-102.5167.2168.959.182000111Y309 A310 D315 F319 G320Y309-H317 HydrophobicContact CD1-CB 4.37Å; Y309-H317 HydrophobicContact CE1-CB 4.29Å; A310-H317 HydrophobicContact CB-CB 4.35Å; D315-H317 PolarHBondContact O-CD2 3.31Å; D315-H317 PolarHBondContact O-N 2.66Å; H317-F319 VanDerWaalsContact CE1-C 3.42Å; H317-F319 WeakPolarHBondContact ND1-CA 3.27Å; H317-F319 WeakPolarHBondContact ND1-CB 3.49Å; H317-F319 PolarHBondContact ND1-N 2.96Å; H317-F319 PolarHBondContact O-N 3.47Å; H317-G320 PolarHBondContact CE1-N 3.48Å; H317-G320 VanDerWaalsContact CE1-N 3.3Å; H317-G320 PolarHBondContact ND1-N 2.85Å; H317-G320 PolarHBondContact O-N 3.3Å
318V81.1Confident81.8Confident10 Ų1072 Ų726%0.06142%0.423CS..THydrogen-bonded Turntrans-68.4-9.2-174.4-55.50000114.3Q323 L326 R327 L330V318-Q323 WeakPolarHBondContact O-CB 3.39Å; V318-L326 HydrophobicContact CG1-CD2 4.46Å; V318-R327 HydrophobicContact CB-CB 4.4Å; V318-R327 HydrophobicContact CG2-CG 4.4Å; V318-R327 PolarHBondContact O-NH1 2.97Å; V318-L330 HydrophobicContact CB-CD1 4.44Å; V318-L330 HydrophobicContact CG1-CD1 4.23Å; V318-L330 HydrophobicContact CG2-CD1 4.3Å
319F85Confident81.8Confident78 Ų7874.8 Ų74.834%0.34244%0.437SS..THydrogen-bonded Turntrans-98.9-0.1173.3-60-86.4000113.1A310 H317 R327A310-F319 HydrophobicContact CB-CD2 3.68Å; A310-F319 HydrophobicContact CB-CE2 4Å; H317-F319 VanDerWaalsContact CE1-C 3.42Å; H317-F319 WeakPolarHBondContact ND1-CA 3.27Å; H317-F319 WeakPolarHBondContact ND1-CB 3.49Å; H317-F319 PolarHBondContact ND1-N 2.96Å; H317-F319 PolarHBondContact O-N 3.47Å; F319-R327 VanDerWaalsContact CE1-CD 3.41Å
320G82.4Confident81.9Confident22 Ų2271.2 Ų71.223%0.22742%0.423CS..SBendtrans-63.8160.8172.200000111.9H317 G322 Q323H317-G320 PolarHBondContact CE1-N 3.48Å; H317-G320 VanDerWaalsContact CE1-N 3.3Å; H317-G320 PolarHBondContact ND1-N 2.85Å; H317-G320 PolarHBondContact O-N 3.3Å; G320-G322 PolarHBondContact O-N 3.45Å; G320-Q323 WeakPolarHBondContact O-CB 3.43Å; G320-Q323 PolarHBondContact O-N 2.95Å
321M83.6Confident82.1Confident198 Ų19872.8 Ų72.898%0.97543%0.433SS*.THydrogen-bonded Turntrans-55.5137.2177.7-67-175.7178.800111Q323M321-Q323 VanDerWaalsContact C-N 3.26Å; M321-Q323 PolarHBondContact O-N 3.07Å
322G84Confident82.5Confident77 Ų7778.5 Ų78.579%0.79446%0.456SS*.THydrogen-bonded Turntrans79.4-8.2-179.300000116G320 A324G320-G322 PolarHBondContact O-N 3.45Å; G322-A324 VanDerWaalsContact C-N 3.34Å; G322-A324 PolarHBondContact O-N 2.84Å
323Q85.2Confident83Confident56 Ų5677.5 Ų77.526%0.26245%0.447SS..  trans-87.95-176.5-60.3-61.7-25.200114.4V318 G320 M321 R325 L326 R327V318-Q323 WeakPolarHBondContact O-CB 3.39Å; G320-Q323 WeakPolarHBondContact O-CB 3.43Å; G320-Q323 PolarHBondContact O-N 2.95Å; M321-Q323 VanDerWaalsContact C-N 3.26Å; M321-Q323 PolarHBondContact O-N 3.07Å; Q323-R325 VanDerWaalsContact C-N 3.31Å; Q323-R325 PolarHBondContact O-N 3.15Å; Q323-L326 PolarHBondContact O-N 2.96Å; Q323-L326 VanDerWaalsContact O-N 3.13Å; Q323-R327 WeakPolarHBondContact O-CB 3.36Å; Q323-R327 PolarHBondContact O-N 3.39Å
324A84.3Confident83.9Confident56 Ų5676.4 Ų76.446%0.46344%0.439SS..Hα-helixtrans-56.8-41.8-177.300000112.9G322 R327 A328G322-A324 VanDerWaalsContact C-N 3.34Å; G322-A324 PolarHBondContact O-N 2.84Å; A324-R327 PolarHBondContact O-N 3.48Å; A324-A328 WeakPolarHBondContact O-CB 3.3Å; A324-A328 PolarHBondContact O-N 3.05Å
325R86.4Confident85.4Confident195 Ų19573.9 Ų73.974%0.73641%0.405SS*.Hα-helixtrans-64.6-44.1176.7-174.7178.1179.61761.1111.9Q323 A328 Q329Q323-R325 VanDerWaalsContact C-N 3.31Å; Q323-R325 PolarHBondContact O-N 3.15Å; R325-A328 PolarHBondContact O-N 3.22Å; R325-Q329 VanDerWaalsContact O-CG 3.25Å; R325-Q329 WeakPolarHBondContact O-CG 3.37Å; R325-Q329 PolarHBondContact O-N 2.96Å; R325-Q329 VanDerWaalsContact O-N 3.14Å
326L86.7Confident86.8Confident63 Ų6372.3 Ų72.333%0.3340%0.396SS..Hα-helixtrans-61.6-46.1176.4177.965.8000110.6V318 Q323 A328 Q329 L330 I333V318-L326 HydrophobicContact CG1-CD2 4.46Å; Q323-L326 PolarHBondContact O-N 2.96Å; Q323-L326 VanDerWaalsContact O-N 3.13Å; L326-A328 PolarHBondContact O-N 3.48Å; L326-Q329 PolarHBondContact O-N 2.99Å; L326-Q329 VanDerWaalsContact O-N 3.09Å; L326-L330 PolarHBondContact O-N 3.44Å; L326-I333 HydrophobicContact CD1-CD1 4.34Å
327R86.4Confident87.9Confident88 Ų8868 Ų6833%0.33237%0.366SS..Hα-helixtrans-59.1-46.2178.7-174.4171.163.1-115.49.1112V318 F319 Q323 A324 Q329 L330V318-R327 HydrophobicContact CB-CB 4.4Å; V318-R327 HydrophobicContact CG2-CG 4.4Å; V318-R327 PolarHBondContact O-NH1 2.97Å; F319-R327 VanDerWaalsContact CE1-CD 3.41Å; Q323-R327 WeakPolarHBondContact O-CB 3.36Å; Q323-R327 PolarHBondContact O-N 3.39Å; A324-R327 PolarHBondContact O-N 3.48Å; R327-Q329 PolarHBondContact O-N 2.83Å; R327-L330 HydrophobicContact CG-CD1 4.42Å; R327-L330 WeakPolarHBondContact O-CB 3.46Å; R327-L330 PolarHBondContact O-N 2.96Å
328A86.2Confident88.7Confident82 Ų8266 Ų6668%0.67836%0.356SS*.Hα-helixtrans-64.1-26.2176.300000113.2A324 R325 L326A324-A328 WeakPolarHBondContact O-CB 3.3Å; A324-A328 PolarHBondContact O-N 3.05Å; R325-A328 PolarHBondContact O-N 3.22Å; L326-A328 PolarHBondContact O-N 3.48Å
329Q90.3Very high89.4Confident80 Ų8068.8 Ų68.837%0.37437%0.365SS..Hα-helixtrans-86.7-10.5178.9-72.1176.9-9.600113.9R325 L326 R327 K332 I333R325-Q329 VanDerWaalsContact O-CG 3.25Å; R325-Q329 WeakPolarHBondContact O-CG 3.37Å; R325-Q329 PolarHBondContact O-N 2.96Å; R325-Q329 VanDerWaalsContact O-N 3.14Å; L326-Q329 PolarHBondContact O-N 2.99Å; L326-Q329 VanDerWaalsContact O-N 3.09Å; R327-Q329 PolarHBondContact O-N 2.83Å; Q329-K332 WeakPolarHBondContact O-CB 3.35Å; Q329-K332 PolarHBondContact O-N 3.19Å; Q329-K332 VanDerWaalsContact O-N 3.12Å; Q329-I333 HydrophobicContact CB-CD1 4.31Å; Q329-I333 WeakPolarHBondContact O-CG1 3.44Å; Q329-I333 PolarHBondContact O-N 3.12Å
330L90.5Very high89.8Confident3 Ų367.2 Ų67.22%0.01636%0.359CS..Hα-helixtrans-52.2-49.2-177.5-74.4170.6000112.5P303 V318 L326 R327 K332 I333 Q334P303-L330 HydrophobicContact CB-CD2 4.32Å; V318-L330 HydrophobicContact CB-CD1 4.44Å; V318-L330 HydrophobicContact CG1-CD1 4.23Å; V318-L330 HydrophobicContact CG2-CD1 4.3Å; L326-L330 PolarHBondContact O-N 3.44Å; R327-L330 HydrophobicContact CG-CD1 4.42Å; R327-L330 WeakPolarHBondContact O-CB 3.46Å; R327-L330 PolarHBondContact O-N 2.96Å; L330-K332 VanDerWaalsContact C-N 3.29Å; L330-K332 PolarHBondContact O-N 3.33Å; L330-I333 PolarHBondContact O-N 3.28Å; L330-I333 VanDerWaalsContact O-N 3.11Å; L330-Q334 WeakPolarHBondContact O-CG 3.34Å; L330-Q334 PolarHBondContact O-N 3.3Å
331P89.8Confident90.4Very high44 Ų4466.2 Ų66.229%0.28635%0.349SS..Hα-helixtrans-58.3-41.1-179.8-2837.2000113.5I333 Q334 L335 I366P331-I333 PolarHBondContact O-N 2.76Å; P331-Q334 PolarHBondContact O-N 2.79Å; P331-L335 WeakPolarHBondContact O-CB 3.27Å; P331-L335 PolarHBondContact O-N 3.42Å; P331-I366 HydrophobicContact CB-CD1 3.65Å; P331-I366 WeakPolarHBondContact O-CD1 3.14Å
332K91.7Very high91Very high165 Ų16556.8 Ų56.872%0.71730%0.302SS*.Hα-helixtrans-64-41.9177.6-175.7176.3-180175.60111.9Q329 L330 N336Q329-K332 WeakPolarHBondContact O-CB 3.35Å; Q329-K332 PolarHBondContact O-N 3.19Å; Q329-K332 VanDerWaalsContact O-N 3.12Å; L330-K332 VanDerWaalsContact C-N 3.29Å; L330-K332 PolarHBondContact O-N 3.33Å; K332-N336 WeakPolarHBondContact O-CB 3.31Å; K332-N336 PolarHBondContact O-N 3.22Å; K332-N336 VanDerWaalsContact O-N 3.1Å
333I93Very high91.4Very high57 Ų5757.4 Ų57.429%0.29229%0.285SS..Hα-helixtrans-63.8-45.9176.6-65166.9000110P303 L326 Q329 L330 P331 N336 L337P303-I333 HydrophobicContact CG-CG2 3.66Å; L326-I333 HydrophobicContact CD1-CD1 4.34Å; Q329-I333 HydrophobicContact CB-CD1 4.31Å; Q329-I333 WeakPolarHBondContact O-CG1 3.44Å; Q329-I333 PolarHBondContact O-N 3.12Å; L330-I333 PolarHBondContact O-N 3.28Å; L330-I333 VanDerWaalsContact O-N 3.11Å; P331-I333 PolarHBondContact O-N 2.76Å; I333-N336 PolarHBondContact O-N 3.42Å; I333-L337 HydrophobicContact CG2-CD1 3.96Å; I333-L337 HydrophobicContact CG2-CG 4.45Å; I333-L337 WeakPolarHBondContact O-CG 3.43Å; I333-L337 PolarHBondContact O-N 3.15Å
334Q95.3Very high91.7Very high0 Ų056.4 Ų56.40%028%0.281CS..Hα-helixtrans-60.8-47.6-179.9-67.3167.2-10.600112V302 P303 L330 P331 N336 L337 L338 Y353 Q362 I366V302-Q334 HydrophobicContact CB-CB 4.39Å; V302-Q334 HydrophobicContact CB-CG 3.89Å; V302-Q334 HydrophobicContact CG1-CB 4.44Å; V302-Q334 HydrophobicContact CG1-CG 4.46Å; V302-Q334 HydrophobicContact CG2-CB 4.27Å; V302-Q334 HydrophobicContact CG2-CG 3.69Å; P303-Q334 WeakPolarHBondContact O-CG 3.5Å; P303-Q334 PolarHBondContact O-NE2 3.14Å; L330-Q334 WeakPolarHBondContact O-CG 3.34Å; L330-Q334 PolarHBondContact O-N 3.3Å; P331-Q334 PolarHBondContact O-N 2.79Å; Q334-N336 PolarHBondContact O-N 3.04Å; Q334-L337 PolarHBondContact O-N 2.86Å; Q334-L338 PolarHBondContact O-N 2.75Å; Q334-Y353 HydrophobicContact CB-CE2 4.44Å; Q334-Q362 VanDerWaalsContact OE1-CB 3.31Å; Q334-I366 HydrophobicContact CB-CD1 4.34Å; Q334-I366 HydrophobicContact CB-CG1 4.35Å; Q334-I366 HydrophobicContact CB-CG2 4.33Å
335L94Very high92.1Very high35 Ų3553.7 Ų53.718%0.18326%0.259CS..Hα-helixtrans-60.7-44.1177.2-176.964.2000111.7P331 L337 L338 R339 S369 F370P331-L335 WeakPolarHBondContact O-CB 3.27Å; P331-L335 PolarHBondContact O-N 3.42Å; L335-L337 PolarHBondContact O-N 3.25Å; L335-L338 PolarHBondContact O-N 3.15Å; L335-R339 WeakPolarHBondContact O-CB 3.33Å; L335-R339 PolarHBondContact O-N 2.9Å; L335-S369 WeakPolarHBondContact CD2-OG 3.42Å; L335-F370 HydrophobicContact CD1-CB 3.67Å; L335-F370 HydrophobicContact CD1-CD2 4.2Å; L335-F370 HydrophobicContact CD1-CG 4.46Å
336N94.4Very high92.5Very high67 Ų6747.2 Ų47.236%0.35824%0.236SC..Hα-helixtrans-64.4-39.8178.2-173.935.8000112.3K332 I333 Q334 R339 Q340K332-N336 WeakPolarHBondContact O-CB 3.31Å; K332-N336 PolarHBondContact O-N 3.22Å; K332-N336 VanDerWaalsContact O-N 3.1Å; I333-N336 PolarHBondContact O-N 3.42Å; Q334-N336 PolarHBondContact O-N 3.04Å; N336-R339 PolarHBondContact O-N 2.89Å; N336-R339 PolarHBondContact OD1-NE 2.92Å; N336-R339 PolarHBondContact OD1-NH2 3.15Å; N336-Q340 PolarHBondContact ND2-NE2 3.23Å; N336-Q340 WeakPolarHBondContact O-CG 3.4Å; N336-Q340 PolarHBondContact O-N 3.47Å; N336-Q340 PolarHBondContact OD1-NE2 3.36Å
337L95.5Very high92.8Very high11 Ų1146.6 Ų46.66%0.05824%0.236CC..Hα-helixtrans-66.3-41.4176.5-72.6172.7000112.2H278 V300 V302 P303 I333 Q334 L335 Q340 A341H278-L337 WeakPolarHBondContact CE1-CD2 3.09Å; H278-L337 WeakPolarHBondContact NE2-CD2 3.45Å; V300-L337 HydrophobicContact CG1-CB 3.94Å; V302-L337 HydrophobicContact CB-CD1 4.42Å; V302-L337 HydrophobicContact CG1-CB 4.06Å; V302-L337 HydrophobicContact CG1-CD1 4.02Å; P303-L337 VanDerWaalsContact CD-CD1 3.49Å; P303-L337 HydrophobicContact CG-CD1 3.97Å; I333-L337 HydrophobicContact CG2-CD1 3.96Å; I333-L337 HydrophobicContact CG2-CG 4.45Å; I333-L337 WeakPolarHBondContact O-CG 3.43Å; I333-L337 PolarHBondContact O-N 3.15Å; Q334-L337 PolarHBondContact O-N 2.86Å; L335-L337 PolarHBondContact O-N 3.25Å; L337-Q340 PolarHBondContact O-N 3.27Å; L337-A341 WeakPolarHBondContact O-CB 3.44Å; L337-A341 PolarHBondContact O-N 3.14Å
338L96.7Very high93.2Very high0 Ų046.5 Ų46.50%024%0.242CC..Hα-helixtrans-62.4-43.4174.6178.955.4000111.3Q334 L335 A341 M342 V351 Y353 I366 I367 F370 F454Q334-L338 PolarHBondContact O-N 2.75Å; L335-L338 PolarHBondContact O-N 3.15Å; L338-A341 WeakPolarHBondContact O-CB 3.44Å; L338-A341 PolarHBondContact O-N 2.7Å; L338-M342 HydrophobicContact CD1-CG 4.26Å; L338-M342 WeakPolarHBondContact O-CG 3.46Å; L338-M342 PolarHBondContact O-N 3.48Å; L338-V351 HydrophobicContact CD1-CG1 4.24Å; L338-Y353 HydrophobicContact CB-CD2 4.26Å; L338-Y353 HydrophobicContact CD1-CD2 4.31Å; L338-Y353 HydrophobicContact CD2-CD2 4.18Å; L338-Y353 HydrophobicContact CG-CD2 4.49Å; L338-I366 HydrophobicContact CD2-CG2 4.49Å; L338-I367 HydrophobicContact CD2-CD1 3.92Å; L338-F370 HydrophobicContact CB-CD2 4.48Å; L338-F370 HydrophobicContact CD2-CB 3.78Å; L338-F370 HydrophobicContact CD2-CD1 4.05Å; L338-F370 HydrophobicContact CD2-CD2 3.99Å; L338-F370 HydrophobicContact CD2-CG 3.63Å; L338-F370 HydrophobicContact CG-CD1 4.38Å; L338-F370 HydrophobicContact CG-CD2 3.87Å; L338-F370 HydrophobicContact CG-CE2 4.24Å; L338-F370 HydrophobicContact CG-CG 3.98Å; L338-F454 HydrophobicContact CD1-CD2 4.4Å; L338-F454 HydrophobicContact CD1-CE2 4.1Å; L338-F454 HydrophobicContact CD2-CE2 4.24Å; L338-F454 HydrophobicContact CD2-CZ 4.28Å
339R95.2Very high93.7Very high67 Ų6742.6 Ų42.625%0.25321%0.211SC..Hα-helixtrans-58-51.7174.6-176.9-167.264.779.75.1112.2L335 N336 A341 M342 E343 F370 H374L335-R339 WeakPolarHBondContact O-CB 3.33Å; L335-R339 PolarHBondContact O-N 2.9Å; N336-R339 PolarHBondContact O-N 2.89Å; N336-R339 PolarHBondContact OD1-NE 2.92Å; N336-R339 PolarHBondContact OD1-NH2 3.15Å; R339-A341 VanDerWaalsContact C-N 3.26Å; R339-A341 PolarHBondContact O-N 3.45Å; R339-M342 PolarHBondContact O-N 3.16Å; R339-M342 VanDerWaalsContact O-N 3.16Å; R339-E343 WeakPolarHBondContact CG-OE1 3.45Å; R339-E343 IonicContact CZ-OE1 2.69Å; R339-E343 IonicContact CZ-OE2 2.94Å; R339-E343 IonicContact NH1-OE1 3.73Å; R339-E343 PolarHBondContact NH1-OE1 3.32Å; R339-E343 IonicContact NH1-OE2 3.75Å; R339-E343 PolarHBondContact NH1-OE2 3.33Å; R339-E343 WeakPolarHBondContact O-CG 3.5Å; R339-E343 PolarHBondContact O-N 3.35Å; R339-F370 HydrophobicContact CB-CE2 4.19Å; R339-H374 WeakPolarHBondContact CD-CE1 3.45Å
340Q93.7Very high94Very high46 Ų4640.7 Ų40.722%0.21520%0.2CC..Hα-helixtrans-59.2-38.7177.5-72.5175.345.900112.1M212 N336 L337 E343 L344M212-Q340 HydrophobicContact CE-CB 3.86Å; N336-Q340 PolarHBondContact ND2-NE2 3.23Å; N336-Q340 WeakPolarHBondContact O-CG 3.4Å; N336-Q340 PolarHBondContact O-N 3.47Å; N336-Q340 PolarHBondContact OD1-NE2 3.36Å; L337-Q340 PolarHBondContact O-N 3.27Å; Q340-E343 PolarHBondContact O-N 3.14Å; Q340-L344 VanDerWaalsContact O-CB 3.22Å; Q340-L344 WeakPolarHBondContact O-CB 3.27Å; Q340-L344 PolarHBondContact O-N 3.04Å
341A95.5Very high94.4Very high0 Ų040.5 Ų40.50%020%0.199CC..Hα-helixtrans-63.2-43.5176.300000112.6M212 I298 V300 L337 L338 R339 E343 L344 C345 V351M212-A341 HydrophobicContact CE-CB 4.36Å; M212-A341 WeakPolarHBondContact SD-CA 3.35Å; M212-A341 HydrophobicContact SD-CB 3.44Å; M212-A341 WeakPolarHBondContact SD-CB 3.33Å; I298-A341 VanDerWaalsContact CD1-O 3.32Å; I298-A341 WeakPolarHBondContact CD1-O 3.28Å; I298-A341 HydrophobicContact CG2-CB 3.83Å; V300-A341 HydrophobicContact CG2-CB 3.21Å; L337-A341 WeakPolarHBondContact O-CB 3.44Å; L337-A341 PolarHBondContact O-N 3.14Å; L338-A341 WeakPolarHBondContact O-CB 3.44Å; L338-A341 PolarHBondContact O-N 2.7Å; R339-A341 VanDerWaalsContact C-N 3.26Å; R339-A341 PolarHBondContact O-N 3.45Å; A341-E343 VanDerWaalsContact C-N 3.34Å; A341-L344 PolarHBondContact O-N 3.18Å; A341-C345 WeakPolarHBondContact O-CB 3.13Å; A341-C345 PolarHBondContact O-N 3.44Å; A341-V351 HydrophobicContact CB-CG1 3.83Å
342M95.4Very high94.8Very high0 Ų038.4 Ų38.40%019%0.186CC..Hα-helixtrans-66.1-37.2177.4-69.5-64.5-63.400111.9L338 R339 V351 F370 I378 F380 F454 R456L338-M342 HydrophobicContact CD1-CG 4.26Å; L338-M342 WeakPolarHBondContact O-CG 3.46Å; L338-M342 PolarHBondContact O-N 3.48Å; R339-M342 PolarHBondContact O-N 3.16Å; R339-M342 VanDerWaalsContact O-N 3.16Å; M342-V351 HydrophobicContact CG-CG2 4.47Å; M342-V351 HydrophobicContact SD-CB 3.67Å; M342-V351 HydrophobicContact SD-CG1 4.21Å; M342-V351 HydrophobicContact SD-CG2 3.44Å; M342-V351 WeakPolarHBondContact SD-CG2 3.45Å; M342-F370 HydrophobicContact CB-CZ 3.94Å; M342-F370 HydrophobicContact CG-CE1 4.03Å; M342-F370 HydrophobicContact CG-CE2 4.21Å; M342-F370 HydrophobicContact CG-CZ 3.51Å; M342-I378 HydrophobicContact CB-CD1 3.94Å; M342-I378 HydrophobicContact CB-CG2 4.27Å; M342-I378 HydrophobicContact CE-CG2 4.17Å; M342-F380 HydrophobicContact CE-CB 3.39Å; M342-F380 HydrophobicContact CE-CD1 4.07Å; M342-F380 HydrophobicContact CE-CG 3.84Å; M342-F454 HydrophobicContact CE-CB 4.03Å; M342-F454 HydrophobicContact CE-CG 4.48Å; M342-F454 HydrophobicContact SD-CB 3.76Å; M342-F454 HydrophobicContact SD-CG 4.12Å; M342-R456 WeakPolarHBondContact O-CD 3.39Å; M342-R456 PolarHBondContact O-NH1 3.32Å; M342-R456 VanDerWaalsContact O-NH1 3.07Å
343E92.2Very high95.1Very high91 Ų9130.6 Ų30.643%0.42515%0.151SC..Hα-helixtrans-68.2-34.8174-72.6169.4-176.700113R339 Q340 A341 I378 R456R339-E343 WeakPolarHBondContact CG-OE1 3.45Å; R339-E343 IonicContact CZ-OE1 2.69Å; R339-E343 IonicContact CZ-OE2 2.94Å; R339-E343 IonicContact NH1-OE1 3.73Å; R339-E343 PolarHBondContact NH1-OE1 3.32Å; R339-E343 IonicContact NH1-OE2 3.75Å; R339-E343 PolarHBondContact NH1-OE2 3.33Å; R339-E343 WeakPolarHBondContact O-CG 3.5Å; R339-E343 PolarHBondContact O-N 3.35Å; Q340-E343 PolarHBondContact O-N 3.14Å; A341-E343 VanDerWaalsContact C-N 3.34Å; E343-I378 HydrophobicContact CG-CD1 4.01Å; E343-R456 VanDerWaalsContact C-NH1 3.3Å; E343-R456 PolarHBondContact O-NH1 3.41Å
344L91.5Very high95.4Very high34 Ų3427.9 Ų27.918%0.17814%0.138CC..Hα-helixtrans-77.5-35.2179.2175.957.7000113V210 M212 F285 I298 Q340 A341 Q346V210-L344 HydrophobicContact CG2-CD2 4.29Å; M212-L344 HydrophobicContact CE-CD2 4.48Å; M212-L344 HydrophobicContact CG-CD2 4.49Å; M212-L344 HydrophobicContact SD-CD2 3.99Å; F285-L344 HydrophobicContact CD1-CD1 4.23Å; F285-L344 HydrophobicContact CD2-CD1 4.42Å; F285-L344 HydrophobicContact CE1-CD1 3.4Å; F285-L344 HydrophobicContact CE2-CD1 3.54Å; F285-L344 HydrophobicContact CE2-CD2 4.05Å; F285-L344 HydrophobicContact CE2-CG 4.45Å; F285-L344 HydrophobicContact CZ-CD1 3.06Å; F285-L344 HydrophobicContact CZ-CD2 3.76Å; F285-L344 HydrophobicContact CZ-CG 4.03Å; I298-L344 HydrophobicContact CD1-CB 3.91Å; I298-L344 HydrophobicContact CD1-CD2 4.03Å; I298-L344 HydrophobicContact CD1-CG 3.75Å; Q340-L344 VanDerWaalsContact O-CB 3.22Å; Q340-L344 WeakPolarHBondContact O-CB 3.27Å; Q340-L344 PolarHBondContact O-N 3.04Å; A341-L344 PolarHBondContact O-N 3.18Å; L344-Q346 PolarHBondContact O-N 3.29Å
345C94.5Very high95.5Very high0 Ų027.9 Ų27.90%014%0.138CC..SBendtrans-59132-177.3-175.30000110.6I298 A341 G349 Y350 V351 R456I298-C345 VanDerWaalsContact CD1-CA 3.41Å; I298-C345 HydrophobicContact CD1-CB 3.69Å; I298-C345 VanDerWaalsContact CD1-N 3.31Å; I298-C345 HydrophobicContact CG1-CB 4.37Å; A341-C345 WeakPolarHBondContact O-CB 3.13Å; A341-C345 PolarHBondContact O-N 3.44Å; C345-G349 VanDerWaalsContact SG-CA 3.51Å; C345-Y350 PolarHBondContact SG-N 3.14Å; C345-V351 HydrophobicContact CB-CG2 3.63Å; C345-R456 HydrophobicContact CB-CB 4.42Å; C345-R456 WeakPolarHBondContact O-CD 3.5Å; C345-R456 PolarHBondContact O-NE 3.35Å; C345-R456 PolarHBondContact O-NH1 3.16Å
346Q93.3Very high95.5Very high58 Ų5828.1 Ų28.127%0.27114%0.142SC..PPolyproline II helixtrans-63155.3173.171.117919.900112K294 F295 N296 L344 N348 G349K294-Q346 HydrophobicContact CB-CB 3.66Å; K294-Q346 HydrophobicContact CB-CG 4.48Å; K294-Q346 HydrophobicContact CD-CB 4.1Å; K294-Q346 PolarHBondContact O-OE1 3.44Å; F295-Q346 PolarHBondContact O-N 2.92Å; N296-Q346 HydrophobicContact CB-CG 3.87Å; L344-Q346 PolarHBondContact O-N 3.29Å; Q346-N348 PolarHBondContact O-N 2.98Å; Q346-G349 WeakPolarHBondContact O-CA 3.43Å; Q346-G349 PolarHBondContact O-N 2.85Å
347P93.5Very high95.4Very high50 Ų5024.9 Ų24.933%0.32513%0.125SC..THydrogen-bonded Turntrans-46.8137.8163.3-31.739000112.3G349P347-G349 PolarHBondContact O-N 3.41Å
348N94.7Very high95.1Very high86 Ų8625.2 Ų25.246%0.4613%0.127SC..THydrogen-bonded Turntrans65.12.6-171.6-58.9-54.9000116.2Q346 R456Q346-N348 PolarHBondContact O-N 2.98Å; N348-R456 WeakPolarHBondContact CA-O 3.47Å; N348-R456 PolarHBondContact N-O 3.09Å
349G96.5Very high94.7Very high1 Ų126.7 Ų26.71%0.0114%0.137CC..  trans-78.4175.417100000113N296 C345 Q346 P347 K455 R456N296-G349 CarbonylContact O-C 3.56Å; N296-G349 WeakPolarHBondContact O-CA 3.33Å; C345-G349 VanDerWaalsContact SG-CA 3.51Å; Q346-G349 WeakPolarHBondContact O-CA 3.43Å; Q346-G349 PolarHBondContact O-N 2.85Å; P347-G349 PolarHBondContact O-N 3.41Å; G349-K455 CarbonylContact O-C 3.59Å; G349-K455 WeakPolarHBondContact O-CA 3.29Å; G349-R456 PolarHBondContact O-N 3.09Å
350Y98Very high94.2Very high39 Ų3925 Ų2515%0.15314%0.135CC..EExtended strand (participates in β ladder)trans-126.3141.7-176.2-61-91.1000112.2E154 N296 K297 I298 C345 I383 K453 F454 K455E154-Y350 WeakPolarHBondContact OE2-CE1 3.4Å; N296-Y350 PolarHBondContact O-N 2.94Å; K297-Y350 CarbonylContact C-O 3.5Å; K297-Y350 WeakPolarHBondContact CA-O 3.48Å; K297-Y350 HydrophobicContact CD-CD2 4.23Å; I298-Y350 PolarHBondContact N-O 2.93Å; C345-Y350 PolarHBondContact SG-N 3.14Å; Y350-I383 HydrophobicContact CD1-CD1 4.45Å; Y350-I383 HydrophobicContact CD1-CG1 4.1Å; Y350-I383 HydrophobicContact CE1-CD1 3.97Å; Y350-I383 HydrophobicContact CE1-CG1 4.07Å; Y350-K453 HydrophobicContact CD1-CD 4.48Å; Y350-F454 CarbonylContact C-O 3.58Å; Y350-F454 VanDerWaalsContact CA-O 3.26Å; Y350-F454 WeakPolarHBondContact CA-O 3.41Å; Y350-K455 HydrophobicContact CD1-CB 3.83Å; Y350-K455 HydrophobicContact CD1-CG 4.13Å; Y350-K455 HydrophobicContact CE1-CB 3.72Å; Y350-K455 HydrophobicContact CE1-CD 3.8Å; Y350-K455 HydrophobicContact CE1-CG 3.74Å
351V98.4Very high93.8Very high0 Ų024 Ų240%013%0.133CC..EExtended strand (participates in β ladder)trans-121.6127.1176-1750000109I298 V300 L338 A341 M342 C345 K453 F454I298-V351 HydrophobicContact CB-CG1 4.37Å; I298-V351 HydrophobicContact CB-CG2 4.16Å; I298-V351 HydrophobicContact CG2-CG1 4.44Å; I298-V351 CarbonylContact O-C 3.57Å; I298-V351 VanDerWaalsContact O-CA 3.31Å; I298-V351 WeakPolarHBondContact O-CA 3.47Å; V300-V351 HydrophobicContact CG2-CG1 3.65Å; L338-V351 HydrophobicContact CD1-CG1 4.24Å; A341-V351 HydrophobicContact CB-CG1 3.83Å; M342-V351 HydrophobicContact CG-CG2 4.47Å; M342-V351 HydrophobicContact SD-CB 3.67Å; M342-V351 HydrophobicContact SD-CG1 4.21Å; M342-V351 HydrophobicContact SD-CG2 3.44Å; M342-V351 WeakPolarHBondContact SD-CG2 3.45Å; C345-V351 HydrophobicContact CB-CG2 3.63Å; V351-K453 CarbonylContact O-C 3.34Å; V351-K453 WeakPolarHBondContact O-CA 3.06Å; V351-F454 HydrophobicContact CB-CB 4.39Å; V351-F454 PolarHBondContact N-O 2.78Å; V351-F454 PolarHBondContact O-N 3.2Å
352V98.5Very high93.5Very high0 Ų024.7 Ų24.70%014%0.136CC..EExtended strand (participates in β ladder)trans-107.3114.9170.5171.20000109T197 L201 I298 L299 V300 I451 V452 K453T197-V352 HydrophobicContact CG2-CG1 4.11Å; L201-V352 HydrophobicContact CB-CG2 4.02Å; L201-V352 HydrophobicContact CD1-CB 4.08Å; L201-V352 HydrophobicContact CD1-CG2 3.64Å; L201-V352 HydrophobicContact CG-CG2 4.44Å; I298-V352 PolarHBondContact O-N 3.11Å; L299-V352 HydrophobicContact CD1-CB 4.37Å; L299-V352 HydrophobicContact CD1-CG1 4.16Å; V300-V352 PolarHBondContact N-O 3.14Å; V352-I451 HydrophobicContact CG1-CG2 3.78Å; V352-V452 CarbonylContact C-O 3.06Å; V352-V452 WeakPolarHBondContact CA-O 3.44Å; V352-K453 HydrophobicContact CG2-CB 4.11Å; V352-K453 HydrophobicContact CG2-CD 4.34Å; V352-K453 HydrophobicContact CG2-CG 3.98Å
353Y98.4Very high93.3Very high0 Ų024.7 Ų24.70%014%0.136CC..EExtended strand (participates in β ladder)trans-83.3132.9166.6178.4-96.4000109.1V302 Q334 L338 T355 Q362 I366 I367 F450 I451 V452V302-Y353 HydrophobicContact CB-CE2 4.28Å; V302-Y353 HydrophobicContact CG1-CD2 4.13Å; V302-Y353 HydrophobicContact CG1-CE2 3.65Å; V302-Y353 HydrophobicContact CG2-CD2 4.49Å; V302-Y353 HydrophobicContact CG2-CE2 3.6Å; Q334-Y353 HydrophobicContact CB-CE2 4.44Å; L338-Y353 HydrophobicContact CB-CD2 4.26Å; L338-Y353 HydrophobicContact CD1-CD2 4.31Å; L338-Y353 HydrophobicContact CD2-CD2 4.18Å; L338-Y353 HydrophobicContact CG-CD2 4.49Å; Y353-T355 HydrophobicContact CD1-CG2 4.38Å; Y353-T355 HydrophobicContact CE1-CG2 3.42Å; Y353-T355 VanDerWaalsContact CE1-CG2 3.42Å; Y353-T355 WeakPolarHBondContact OH-CG2 3.42Å; Y353-Q362 PolarHBondContact OH-O 2.89Å; Y353-I366 HydrophobicContact CE2-CG2 4.08Å; Y353-I367 HydrophobicContact CD1-CD1 3.7Å; Y353-I367 HydrophobicContact CD1-CG1 4.45Å; Y353-I367 HydrophobicContact CE1-CD1 4.22Å; Y353-I367 HydrophobicContact CG-CD1 3.93Å; Y353-F450 AromaticContact CD1-CD1 3.9Å; Y353-F450 HydrophobicContact CD1-CD1 3.9Å; Y353-F450 AromaticContact CD1-CE1 3.79Å; Y353-F450 HydrophobicContact CD1-CE1 3.79Å; Y353-F450 AromaticContact CE1-CD1 3.84Å; Y353-F450 HydrophobicContact CE1-CD1 3.84Å; Y353-F450 AromaticContact CE1-CE1 3.85Å; Y353-F450 HydrophobicContact CE1-CE1 3.85Å; Y353-I451 WeakPolarHBondContact O-CA 3.4Å; Y353-V452 PolarHBondContact N-O 2.89Å; Y353-V452 PolarHBondContact O-N 3.08Å
354S98.1Very high93.1Very high0 Ų021.7 Ų21.70%012%0.122CC..EExtended strand (participates in β ladder)trans-145.5147.2174.457.60000113.1V300 N301 V302 F450V300-S354 PolarHBondContact O-N 3.46Å; N301-S354 WeakPolarHBondContact CA-O 3.24Å; N301-S354 WeakPolarHBondContact CA-OG 3.3Å; V302-S354 WeakPolarHBondContact CG2-O 3.47Å; V302-S354 PolarHBondContact N-O 3.37Å; V302-S354 VanDerWaalsContact N-O 3.08Å; S354-F450 WeakPolarHBondContact CA-O 2.96Å; S354-F450 VanDerWaalsContact CB-O 3.28Å; S354-F450 WeakPolarHBondContact CB-O 3.44Å
355T97.1Very high92.9Very high0 Ų023.7 Ų23.70%013%0.131CC..EExtended strand (participates in β ladder)trans-129.9162.5173.881.10000109.8V302 Y353 T357 N363 T449 F450V302-T355 HydrophobicContact CG2-CG2 3.71Å; Y353-T355 HydrophobicContact CD1-CG2 4.38Å; Y353-T355 HydrophobicContact CE1-CG2 3.42Å; Y353-T355 VanDerWaalsContact CE1-CG2 3.42Å; Y353-T355 WeakPolarHBondContact OH-CG2 3.42Å; T355-T357 WeakPolarHBondContact OG1-CG2 3.18Å; T355-T357 PolarHBondContact OG1-N 3.43Å; T355-T357 PolarHBondContact OG1-O 3.4Å; T355-N363 VanDerWaalsContact CG2-OD1 3.28Å; T355-N363 WeakPolarHBondContact CG2-OD1 3.45Å; T355-N363 PolarHBondContact OG1-OD1 2.75Å; T355-T449 CarbonylContact O-C 3.41Å; T355-T449 VanDerWaalsContact O-CA 3.25Å; T355-T449 WeakPolarHBondContact O-CA 3.28Å; T355-F450 HydrophobicContact CG2-CD1 4.48Å; T355-F450 PolarHBondContact N-O 2.89Å; T355-F450 VanDerWaalsContact N-O 3.12Å; T355-F450 PolarHBondContact O-N 3.26Å; T355-F450 WeakPolarHBondContact OG1-CB 3.47Å
356S95.2Very high92.7Very high40 Ų4024 Ų2428%0.2813%0.132SC..SBendtrans-110.646.3168.562.20000111.4C304 A306 D307 P448C304-S356 PolarHBondContact SG-N 3.15Å; C304-S356 PolarHBondContact SG-OG 3.26Å; A306-S356 WeakPolarHBondContact CA-O 3.31Å; D307-S356 PolarHBondContact N-O 3.34Å; S356-P448 CarbonylContact C-O 3.6Å; S356-P448 WeakPolarHBondContact CA-O 3.48Å
357T91.9Very high92.6Very high0 Ų021.3 Ų21.30%012%0.119CC..  trans-136.3152.4178.1178.40000111.2C304 S305 D307 T355 S359 Q362 N363C304-T357 HydrophobicContact CB-CG2 3.83Å; S305-T357 VanDerWaalsContact OG-CB 3.32Å; S305-T357 WeakPolarHBondContact OG-CB 3.35Å; S305-T357 PolarHBondContact OG-OG1 2.93Å; D307-T357 VanDerWaalsContact CG-OG1 3.24Å; D307-T357 VanDerWaalsContact OD1-CB 3.3Å; D307-T357 WeakPolarHBondContact OD1-CB 3.4Å; D307-T357 PolarHBondContact OD1-OG1 3.14Å; D307-T357 WeakPolarHBondContact OD2-CA 3.5Å; D307-T357 PolarHBondContact OD2-OG1 3.21Å; T355-T357 WeakPolarHBondContact OG1-CG2 3.18Å; T355-T357 PolarHBondContact OG1-N 3.43Å; T355-T357 PolarHBondContact OG1-O 3.4Å; T357-S359 VanDerWaalsContact OG1-CB 3.26Å; T357-S359 WeakPolarHBondContact OG1-CB 3.41Å; T357-S359 PolarHBondContact OG1-N 2.79Å; T357-Q362 HydrophobicContact CG2-CB 3.82Å; T357-N363 PolarHBondContact O-ND2 2.96Å
358L89.3Confident92.4Very high18 Ų1821.1 Ų21.19%0.09411%0.114CC..  trans-84.8-10.5171.2-64164.9000112.4M1 L5 D307 P360 L437 I439 P448M1-L358 HydrophobicContact CE-CD1 3.74Å; M1-L358 HydrophobicContact CG-CD1 4.29Å; M1-L358 HydrophobicContact SD-CD1 3.5Å; M1-L358 WeakPolarHBondContact SD-CD1 3.11Å; M1-L358 HydrophobicContact SD-CD2 4.13Å; M1-L358 HydrophobicContact SD-CG 4.43Å; L5-L358 HydrophobicContact CD1-CD1 3.87Å; D307-L358 WeakPolarHBondContact OD2-CB 3.29Å; D307-L358 PolarHBondContact OD2-N 2.94Å; L358-P360 VanDerWaalsContact O-CD 3.23Å; L358-P360 WeakPolarHBondContact O-CD 3.01Å; L358-L437 HydrophobicContact CD2-CD1 4.37Å; L358-L437 HydrophobicContact CD2-CD2 4.19Å; L358-I439 HydrophobicContact CD2-CG2 3.85Å; L358-P448 HydrophobicContact CD1-CB 4.44Å; L358-P448 HydrophobicContact CD2-CB 3.62Å; L358-P448 HydrophobicContact CG-CB 3.65Å; L358-P448 HydrophobicContact CG-CG 4.04Å
359S87.1Confident92Very high30 Ų3018.8 Ų18.821%0.2111%0.105CC..  trans-65114.1-172.9-169.40000112.5T357 S361 Q362 N363T357-S359 VanDerWaalsContact OG1-CB 3.26Å; T357-S359 WeakPolarHBondContact OG1-CB 3.41Å; T357-S359 PolarHBondContact OG1-N 2.79Å; S359-S361 PolarHBondContact O-N 2.91Å; S359-S361 PolarHBondContact OG-OG 3.02Å; S359-Q362 PolarHBondContact O-N 3.27Å; S359-Q362 PolarHBondContact OG-NE2 3.26Å; S359-N363 WeakPolarHBondContact O-CB 2.94Å; S359-N363 VanDerWaalsContact O-CG 3.28Å; S359-N363 PolarHBondContact O-N 2.93Å; S359-N363 PolarHBondContact O-ND2 3.19Å
360P86Confident91.8Very high32 Ų3218.7 Ų18.721%0.20810%0.104CC..G310 helixtrans-58-34.2177.5-25.836.3000113.5L358 Q362 N363 Q364 E365L358-P360 VanDerWaalsContact O-CD 3.23Å; L358-P360 WeakPolarHBondContact O-CD 3.01Å; P360-Q362 PolarHBondContact O-N 3.19Å; P360-N363 CarbonylContact O-C 3.24Å; P360-N363 PolarHBondContact O-N 2.94Å; P360-Q364 PolarHBondContact O-N 3.44Å; P360-Q364 VanDerWaalsContact O-N 3.08Å; P360-E365 PolarHBondContact O-N 2.62Å; P360-E365 VanDerWaalsContact O-N 3.12Å
361S84.4Confident91.4Very high26 Ų2617 Ų1718%0.18210%0.097CC..G310 helixtrans-63.6-20.9176.962.50000115.4S359 E365S359-S361 PolarHBondContact O-N 2.91Å; S359-S361 PolarHBondContact OG-OG 3.02Å; S361-E365 VanDerWaalsContact CA-CD 3.42Å; S361-E365 WeakPolarHBondContact CA-OE2 3.36Å; S361-E365 WeakPolarHBondContact CB-OE2 3.36Å
362Q90.6Very high90.8Very high13 Ų1320.1 Ų20.16%0.06111%0.114CC..G310 helixtrans-104-4.4174.7-67.3176.978.500111.9C304 S305 Q334 Y353 T357 S359 P360 I366C304-Q362 VanDerWaalsContact CB-OE1 3.29Å; S305-Q362 PolarHBondContact OG-NE2 3.31Å; Q334-Q362 VanDerWaalsContact OE1-CB 3.31Å; Y353-Q362 PolarHBondContact OH-O 2.89Å; T357-Q362 HydrophobicContact CG2-CB 3.82Å; S359-Q362 PolarHBondContact O-N 3.27Å; S359-Q362 PolarHBondContact OG-NE2 3.26Å; P360-Q362 PolarHBondContact O-N 3.19Å; Q362-I366 WeakPolarHBondContact O-CG1 3.49Å
363N91.4Very high90.2Very high0 Ų024.7 Ų24.70%014%0.139CC..THydrogen-bonded Turntrans-115.9-98.6-173.9-69.8-14.4000109.2T355 T357 S359 P360 E365 I366 I367 F450T355-N363 VanDerWaalsContact CG2-OD1 3.28Å; T355-N363 WeakPolarHBondContact CG2-OD1 3.45Å; T355-N363 PolarHBondContact OG1-OD1 2.75Å; T357-N363 PolarHBondContact O-ND2 2.96Å; S359-N363 WeakPolarHBondContact O-CB 2.94Å; S359-N363 VanDerWaalsContact O-CG 3.28Å; S359-N363 PolarHBondContact O-N 2.93Å; S359-N363 PolarHBondContact O-ND2 3.19Å; P360-N363 CarbonylContact O-C 3.24Å; P360-N363 PolarHBondContact O-N 2.94Å; N363-E365 VanDerWaalsContact C-N 3.32Å; N363-E365 PolarHBondContact O-N 3.23Å; N363-I366 PolarHBondContact O-N 3.23Å; N363-I367 WeakPolarHBondContact O-CG1 3.23Å; N363-I367 PolarHBondContact O-N 3.21Å; N363-F450 HydrophobicContact CB-CB 4.35Å; N363-F450 HydrophobicContact CB-CD1 3.8Å; N363-F450 HydrophobicContact CB-CD2 3.79Å; N363-F450 HydrophobicContact CB-CE1 3.91Å; N363-F450 HydrophobicContact CB-CE2 3.88Å; N363-F450 HydrophobicContact CB-CG 3.73Å; N363-F450 HydrophobicContact CB-CZ 3.94Å; N363-F450 VanDerWaalsContact CG-CG 3.47Å; N363-F450 WeakPolarHBondContact OD1-CB 3.41Å
364Q87.6Confident89.8Confident28 Ų2826.1 Ų26.113%0.13115%0.145CC..Hα-helixtrans-56.4-42.4-176.2-65.688.6-31.600112.6P360 I366 I367 Q368 I406 L408 F450P360-Q364 PolarHBondContact O-N 3.44Å; P360-Q364 VanDerWaalsContact O-N 3.08Å; Q364-I366 VanDerWaalsContact C-N 3.33Å; Q364-I366 PolarHBondContact O-N 3.39Å; Q364-I367 PolarHBondContact O-N 3.17Å; Q364-Q368 WeakPolarHBondContact O-CB 3.4Å; Q364-Q368 PolarHBondContact O-N 3.34Å; Q364-I406 HydrophobicContact CG-CG2 3.69Å; Q364-L408 HydrophobicContact CB-CD2 4.3Å; Q364-L408 HydrophobicContact CG-CD2 4.43Å; Q364-F450 HydrophobicContact CG-CE2 4.44Å
365E85.8Confident89Confident77 Ų7728 Ų2836%0.3616%0.158SC..Hα-helixtrans-65.8-35.8-178.7-69.3177-149.600112.1P360 S361 N363 I367 Q368 S369P360-E365 PolarHBondContact O-N 2.62Å; P360-E365 VanDerWaalsContact O-N 3.12Å; S361-E365 VanDerWaalsContact CA-CD 3.42Å; S361-E365 WeakPolarHBondContact CA-OE2 3.36Å; S361-E365 WeakPolarHBondContact CB-OE2 3.36Å; N363-E365 VanDerWaalsContact C-N 3.32Å; N363-E365 PolarHBondContact O-N 3.23Å; E365-I367 VanDerWaalsContact C-N 3.34Å; E365-Q368 PolarHBondContact O-N 3.48Å; E365-S369 WeakPolarHBondContact O-CB 3.33Å; E365-S369 PolarHBondContact O-N 3.06Å
366I90.9Very high88.3Confident7 Ų733.9 Ų33.94%0.03619%0.19CC..Hα-helixtrans-63.9-44.2174.8-63-55.8000110.8P331 Q334 L338 Y353 Q362 N363 Q364 S369 F370P331-I366 HydrophobicContact CB-CD1 3.65Å; P331-I366 WeakPolarHBondContact O-CD1 3.14Å; Q334-I366 HydrophobicContact CB-CD1 4.34Å; Q334-I366 HydrophobicContact CB-CG1 4.35Å; Q334-I366 HydrophobicContact CB-CG2 4.33Å; L338-I366 HydrophobicContact CD2-CG2 4.49Å; Y353-I366 HydrophobicContact CE2-CG2 4.08Å; Q362-I366 WeakPolarHBondContact O-CG1 3.49Å; N363-I366 PolarHBondContact O-N 3.23Å; Q364-I366 VanDerWaalsContact C-N 3.33Å; Q364-I366 PolarHBondContact O-N 3.39Å; I366-S369 PolarHBondContact O-N 2.93Å; I366-F370 VanDerWaalsContact O-CB 3.3Å; I366-F370 WeakPolarHBondContact O-CB 3.27Å; I366-F370 PolarHBondContact O-N 3.1Å
367I92.1Very high87.9Confident0 Ų038.4 Ų38.40%021%0.211CC..Hα-helixtrans-66.1-44.6179.6-58.9-59.2000110.6L338 Y353 N363 Q364 E365 F370 I371 L408 F450 V452 F454L338-I367 HydrophobicContact CD2-CD1 3.92Å; Y353-I367 HydrophobicContact CD1-CD1 3.7Å; Y353-I367 HydrophobicContact CD1-CG1 4.45Å; Y353-I367 HydrophobicContact CE1-CD1 4.22Å; Y353-I367 HydrophobicContact CG-CD1 3.93Å; N363-I367 WeakPolarHBondContact O-CG1 3.23Å; N363-I367 PolarHBondContact O-N 3.21Å; Q364-I367 PolarHBondContact O-N 3.17Å; E365-I367 VanDerWaalsContact C-N 3.34Å; I367-F370 PolarHBondContact O-N 2.86Å; I367-I371 HydrophobicContact CG2-CD1 3.79Å; I367-I371 WeakPolarHBondContact O-CD1 3.24Å; I367-I371 VanDerWaalsContact O-CG1 3.26Å; I367-I371 WeakPolarHBondContact O-CG1 3.31Å; I367-I371 PolarHBondContact O-N 3.41Å; I367-L408 HydrophobicContact CB-CD2 4.37Å; I367-L408 HydrophobicContact CG2-CD1 3.49Å; I367-L408 VanDerWaalsContact CG2-CD1 3.49Å; I367-L408 HydrophobicContact CG2-CD2 4.17Å; I367-L408 HydrophobicContact CG2-CG 4.49Å; I367-F450 HydrophobicContact CD1-CE1 4.49Å; I367-F450 HydrophobicContact CG1-CE1 3.96Å; I367-F450 HydrophobicContact CG1-CZ 4.13Å; I367-V452 HydrophobicContact CD1-CB 4.04Å; I367-V452 HydrophobicContact CD1-CG1 4.12Å; I367-V452 HydrophobicContact CD1-CG2 4.36Å; I367-V452 HydrophobicContact CG1-CB 4.32Å; I367-V452 HydrophobicContact CG1-CG1 4.45Å; I367-V452 HydrophobicContact CG1-CG2 4.09Å; I367-V452 HydrophobicContact CG2-CG1 4.29Å; I367-F454 HydrophobicContact CD1-CE2 3.91Å; I367-F454 HydrophobicContact CD1-CZ 3.89Å; I367-F454 HydrophobicContact CG2-CZ 3.99Å
368Q88Confident87.8Confident46 Ų4639 Ų3922%0.21521%0.214CC..Hα-helixtrans-62.2-47.2176.7-179.91681.100111.4Q364 E365 F370 I371 L372 L410Q364-Q368 WeakPolarHBondContact O-CB 3.4Å; Q364-Q368 PolarHBondContact O-N 3.34Å; E365-Q368 PolarHBondContact O-N 3.48Å; Q368-F370 VanDerWaalsContact C-N 3.31Å; Q368-F370 PolarHBondContact O-N 2.88Å; Q368-I371 PolarHBondContact O-N 3.46Å; Q368-L372 HydrophobicContact CG-CD1 3.93Å; Q368-L372 VanDerWaalsContact O-CG 3.3Å; Q368-L372 WeakPolarHBondContact O-CG 3.38Å; Q368-L372 PolarHBondContact O-N 2.78Å; Q368-L410 HydrophobicContact CB-CD1 4.42Å; Q368-L410 HydrophobicContact CG-CD1 4.06Å; Q368-L410 HydrophobicContact CG-CD2 4.08Å; Q368-L410 HydrophobicContact CG-CG 4.17Å
369S87.8Confident87.9Confident37 Ų3742.1 Ų42.126%0.25923%0.231SC..Hα-helixtrans-60.1-40.9175.2178.60000111.8L335 E365 I366 N373L335-S369 WeakPolarHBondContact CD2-OG 3.42Å; E365-S369 WeakPolarHBondContact O-CB 3.33Å; E365-S369 PolarHBondContact O-N 3.06Å; I366-S369 PolarHBondContact O-N 2.93Å; S369-N373 WeakPolarHBondContact O-CB 3.28Å; S369-N373 PolarHBondContact O-N 3.17Å; S369-N373 VanDerWaalsContact O-N 3.12Å; S369-N373 PolarHBondContact O-ND2 3.06Å; S369-N373 PolarHBondContact OG-ND2 3.39Å
370F91.9Very high88.3Confident0 Ų041.3 Ų41.30%022%0.223CC..Hα-helixtrans-61.8-47.5176.4178.3-98000111.5L335 L338 R339 M342 I366 I367 Q368 N373 H374 I378 F380 F454L335-F370 HydrophobicContact CD1-CB 3.67Å; L335-F370 HydrophobicContact CD1-CD2 4.2Å; L335-F370 HydrophobicContact CD1-CG 4.46Å; L338-F370 HydrophobicContact CB-CD2 4.48Å; L338-F370 HydrophobicContact CD2-CB 3.78Å; L338-F370 HydrophobicContact CD2-CD1 4.05Å; L338-F370 HydrophobicContact CD2-CD2 3.99Å; L338-F370 HydrophobicContact CD2-CG 3.63Å; L338-F370 HydrophobicContact CG-CD1 4.38Å; L338-F370 HydrophobicContact CG-CD2 3.87Å; L338-F370 HydrophobicContact CG-CE2 4.24Å; L338-F370 HydrophobicContact CG-CG 3.98Å; R339-F370 HydrophobicContact CB-CE2 4.19Å; M342-F370 HydrophobicContact CB-CZ 3.94Å; M342-F370 HydrophobicContact CG-CE1 4.03Å; M342-F370 HydrophobicContact CG-CE2 4.21Å; M342-F370 HydrophobicContact CG-CZ 3.51Å; I366-F370 VanDerWaalsContact O-CB 3.3Å; I366-F370 WeakPolarHBondContact O-CB 3.27Å; I366-F370 PolarHBondContact O-N 3.1Å; I367-F370 PolarHBondContact O-N 2.86Å; Q368-F370 VanDerWaalsContact C-N 3.31Å; Q368-F370 PolarHBondContact O-N 2.88Å; F370-N373 PolarHBondContact O-N 2.69Å; F370-H374 HydrophobicContact CD2-CB 4.31Å; F370-H374 AromaticContact CD2-CD2 3.4Å; F370-H374 VanDerWaalsContact CD2-CD2 3.4Å; F370-H374 WeakPolarHBondContact CD2-CD2 3.46Å; F370-H374 HydrophobicContact CE2-CB 3.83Å; F370-H374 AromaticContact CE2-CD2 3.52Å; F370-H374 AromaticContact CE2-CG 3.84Å; F370-H374 HydrophobicContact CZ-CB 3.98Å; F370-H374 WeakPolarHBondContact O-CB 3.19Å; F370-H374 PolarHBondContact O-N 3.21Å; F370-I378 HydrophobicContact CZ-CD1 4.32Å; F370-F380 HydrophobicContact CD1-CZ 4.33Å; F370-F380 HydrophobicContact CE1-CD1 4.13Å; F370-F380 AromaticContact CE1-CE1 3.73Å; F370-F380 HydrophobicContact CE1-CE1 3.73Å; F370-F380 HydrophobicContact CE1-CE2 4.4Å; F370-F380 AromaticContact CE1-CZ 3.9Å; F370-F380 HydrophobicContact CE1-CZ 3.9Å; F370-F380 HydrophobicContact CZ-CE1 4.28Å; F370-F454 AromaticContact CD1-CE1 3.98Å; F370-F454 HydrophobicContact CD1-CE1 3.98Å; F370-F454 HydrophobicContact CD1-CZ 4.12Å; F370-F454 HydrophobicContact CE1-CE1 4.14Å
371I88.9Confident88.6Confident2 Ų239.8 Ų39.81%0.0121%0.213CC..Hα-helixtrans-61.1-49.8-179-67.1158.8000110.7L149 I367 Q368 N373 S375 F380 L382 L408 L410L149-I371 HydrophobicContact CD2-CD1 3.62Å; L149-I371 HydrophobicContact CD2-CG1 4.07Å; L149-I371 HydrophobicContact CD2-CG2 3.91Å; I367-I371 HydrophobicContact CG2-CD1 3.79Å; I367-I371 WeakPolarHBondContact O-CD1 3.24Å; I367-I371 VanDerWaalsContact O-CG1 3.26Å; I367-I371 WeakPolarHBondContact O-CG1 3.31Å; I367-I371 PolarHBondContact O-N 3.41Å; Q368-I371 PolarHBondContact O-N 3.46Å; I371-N373 VanDerWaalsContact C-N 3.33Å; I371-N373 PolarHBondContact O-N 3.35Å; I371-S375 VanDerWaalsContact O-CB 3.25Å; I371-S375 WeakPolarHBondContact O-CB 3.47Å; I371-S375 PolarHBondContact O-N 3.11Å; I371-S375 VanDerWaalsContact O-N 3.09Å; I371-S375 PolarHBondContact O-OG 3.5Å; I371-F380 HydrophobicContact CB-CZ 4.45Å; I371-F380 HydrophobicContact CG1-CE2 4.03Å; I371-F380 HydrophobicContact CG1-CZ 4.16Å; I371-F380 HydrophobicContact CG2-CZ 4.47Å; I371-L382 HydrophobicContact CD1-CD1 4.27Å; I371-L408 HydrophobicContact CD1-CD1 4.13Å; I371-L410 HydrophobicContact CB-CD1 3.68Å; I371-L410 HydrophobicContact CD1-CD1 3.6Å; I371-L410 HydrophobicContact CG1-CD1 4.24Å; I371-L410 HydrophobicContact CG2-CD1 3.59Å
372L85.2Confident89.1Confident66 Ų6638.5 Ų38.535%0.34621%0.205SC..Hα-helixtrans-61.2-39.3-178.1-70.2170.4000113L146 Q368 L410L146-L372 HydrophobicContact CD1-CD2 3.54Å; Q368-L372 HydrophobicContact CG-CD1 3.93Å; Q368-L372 VanDerWaalsContact O-CG 3.3Å; Q368-L372 WeakPolarHBondContact O-CG 3.38Å; Q368-L372 PolarHBondContact O-N 2.78Å; L372-L410 HydrophobicContact CD2-CD2 4.09Å; L372-L410 HydrophobicContact CG-CD2 4.38Å
373N86.7Confident89.3Confident97 Ų9738 Ų3852%0.51920%0.202SC..Hα-helixtrans-92-15.6-172.4-67-55.5000114.1S369 F370 I371S369-N373 WeakPolarHBondContact O-CB 3.28Å; S369-N373 PolarHBondContact O-N 3.17Å; S369-N373 VanDerWaalsContact O-N 3.12Å; S369-N373 PolarHBondContact O-ND2 3.06Å; S369-N373 PolarHBondContact OG-ND2 3.39Å; F370-N373 PolarHBondContact O-N 2.69Å; I371-N373 VanDerWaalsContact C-N 3.33Å; I371-N373 PolarHBondContact O-N 3.35Å
374H89.1Confident89.4Confident30 Ų3038.4 Ų38.414%0.13921%0.205CC..Hα-helixtrans-127.9-3.9-171.6-61.9-61.9000115.4R339 F370 N376 N377 I378R339-H374 WeakPolarHBondContact CD-CE1 3.45Å; F370-H374 HydrophobicContact CD2-CB 4.31Å; F370-H374 AromaticContact CD2-CD2 3.4Å; F370-H374 VanDerWaalsContact CD2-CD2 3.4Å; F370-H374 WeakPolarHBondContact CD2-CD2 3.46Å; F370-H374 HydrophobicContact CE2-CB 3.83Å; F370-H374 AromaticContact CE2-CD2 3.52Å; F370-H374 AromaticContact CE2-CG 3.84Å; F370-H374 HydrophobicContact CZ-CB 3.98Å; F370-H374 WeakPolarHBondContact O-CB 3.19Å; F370-H374 PolarHBondContact O-N 3.21Å; H374-N376 PolarHBondContact O-N 3.28Å; H374-N377 PolarHBondContact O-N 3.05Å; H374-N377 VanDerWaalsContact O-N 3.13Å; H374-I378 HydrophobicContact CB-CD1 4.45Å; H374-I378 PolarHBondContact O-N 2.98Å
375S81.8Confident89.8Confident40 Ų4037.5 Ų37.528%0.2820%0.201SC..THydrogen-bonded Turntrans-56.7-31.2175.555.70000113.5I371I371-S375 VanDerWaalsContact O-CB 3.25Å; I371-S375 WeakPolarHBondContact O-CB 3.47Å; I371-S375 PolarHBondContact O-N 3.11Å; I371-S375 VanDerWaalsContact O-N 3.09Å; I371-S375 PolarHBondContact O-OG 3.5Å
376N82Confident90.1Very high122 Ų12235.8 Ų35.865%0.65219%0.192SC*.THydrogen-bonded Turntrans-78.7-23.4-178.9-63.9-12000113.4H374H374-N376 PolarHBondContact O-N 3.28Å
377N87.2Confident90.2Very high135 Ų13538.1 Ų38.172%0.72221%0.207SC*.THydrogen-bonded Turntrans-107.7-25.7-172.7-65.2-17.2000112.8H374H374-N377 PolarHBondContact O-N 3.05Å; H374-N377 VanDerWaalsContact O-N 3.13Å
378I89.3Confident90.3Very high13 Ų1338.4 Ų38.47%0.06721%0.209CC..SBendtrans-126.4119.3-177.9-54178.5000107.6M342 E343 F370 H374 F380M342-I378 HydrophobicContact CB-CD1 3.94Å; M342-I378 HydrophobicContact CB-CG2 4.27Å; M342-I378 HydrophobicContact CE-CG2 4.17Å; E343-I378 HydrophobicContact CG-CD1 4.01Å; F370-I378 HydrophobicContact CZ-CD1 4.32Å; H374-I378 HydrophobicContact CB-CD1 4.45Å; H374-I378 PolarHBondContact O-N 2.98Å; I378-F380 HydrophobicContact CB-CD1 4.13Å; I378-F380 HydrophobicContact CG2-CD1 4.03Å; I378-F380 WeakPolarHBondContact O-CD1 3.34Å; I378-F380 WeakPolarHBondContact O-CE1 3.22Å; I378-F380 PolarHBondContact O-N 3.41Å
379N92.6Very high90.6Very high84 Ų8438.9 Ų38.945%0.44921%0.209SC..  trans-78117.4174.1-167.111.6000109.7L457 P458N379-L457 HydrophobicContact CB-CB 4.08Å; N379-L457 VanDerWaalsContact CG-CB 3.48Å; N379-L457 WeakPolarHBondContact ND2-CB 3.39Å; N379-L457 PolarHBondContact O-N 2.7Å; N379-L457 WeakPolarHBondContact OD1-CD1 3.49Å; N379-P458 PolarHBondContact ND2-O 2.99Å
380F94.4Very high90.8Very high12 Ų1239.7 Ų39.75%0.05321%0.211CC..EExtended strand (participates in β ladder)trans-149.1164.1-179.363.1-97.8000113.1L149 M342 F370 I371 I378 F454 K455L149-F380 HydrophobicContact CD1-CD2 3.92Å; L149-F380 HydrophobicContact CD1-CE2 3.47Å; L149-F380 VanDerWaalsContact CD1-CE2 3.47Å; L149-F380 HydrophobicContact CD1-CZ 4.37Å; M342-F380 HydrophobicContact CE-CB 3.39Å; M342-F380 HydrophobicContact CE-CD1 4.07Å; M342-F380 HydrophobicContact CE-CG 3.84Å; F370-F380 HydrophobicContact CD1-CZ 4.33Å; F370-F380 HydrophobicContact CE1-CD1 4.13Å; F370-F380 AromaticContact CE1-CE1 3.73Å; F370-F380 HydrophobicContact CE1-CE1 3.73Å; F370-F380 HydrophobicContact CE1-CE2 4.4Å; F370-F380 AromaticContact CE1-CZ 3.9Å; F370-F380 HydrophobicContact CE1-CZ 3.9Å; F370-F380 HydrophobicContact CZ-CE1 4.28Å; I371-F380 HydrophobicContact CB-CZ 4.45Å; I371-F380 HydrophobicContact CG1-CE2 4.03Å; I371-F380 HydrophobicContact CG1-CZ 4.16Å; I371-F380 HydrophobicContact CG2-CZ 4.47Å; I378-F380 HydrophobicContact CB-CD1 4.13Å; I378-F380 HydrophobicContact CG2-CD1 4.03Å; I378-F380 WeakPolarHBondContact O-CD1 3.34Å; I378-F380 WeakPolarHBondContact O-CE1 3.22Å; I378-F380 PolarHBondContact O-N 3.41Å; F380-F454 AromaticContact CD2-CD1 3.82Å; F380-F454 HydrophobicContact CD2-CD1 3.82Å; F380-F454 HydrophobicContact CD2-CE1 4.25Å; F380-F454 HydrophobicContact CE2-CD1 4.21Å; F380-F454 HydrophobicContact CE2-CE1 4.16Å; F380-F454 HydrophobicContact CG-CD1 4.47Å; F380-K455 CarbonylContact C-O 3.5Å; F380-K455 VanDerWaalsContact CA-O 3.24Å; F380-K455 WeakPolarHBondContact CA-O 3.22Å; F380-K455 WeakPolarHBondContact CB-O 3.26Å
381A93.5Very high90.9Very high0 Ų039.9 Ų39.90%021%0.212CC..EExtended strand (participates in β ladder)trans-127.2151169.700000110.2K150 L152 F454 K455 L457K150-A381 HydrophobicContact CB-CB 3.86Å; K150-A381 CarbonylContact O-C 3.58Å; K150-A381 VanDerWaalsContact O-CA 3.22Å; K150-A381 WeakPolarHBondContact O-CA 3.47Å; K150-A381 VanDerWaalsContact O-CB 3.32Å; K150-A381 WeakPolarHBondContact O-CB 3.29Å; L152-A381 HydrophobicContact CD1-CB 3.66Å; L152-A381 HydrophobicContact CG-CB 3.81Å; A381-F454 CarbonylContact O-C 3.55Å; A381-F454 VanDerWaalsContact O-CA 3.3Å; A381-F454 WeakPolarHBondContact O-CA 3.35Å; A381-K455 PolarHBondContact N-O 3.45Å; A381-K455 PolarHBondContact O-N 2.64Å; A381-L457 HydrophobicContact CB-CD1 4.17Å; A381-L457 HydrophobicContact CB-CD2 4.34Å; A381-L457 HydrophobicContact CB-CG 4.34Å
382L94.2Very high91.2Very high0 Ų040 Ų400%021%0.212CC..EExtended strand (participates in β ladder)trans-80.5147164.1-74.2-179.7000110.1L149 K150 V151 L152 I371 L408 F411 H434 V452 F454L149-L382 HydrophobicContact CD2-CD1 3.79Å; L149-L382 HydrophobicContact CD2-CG 4.11Å; K150-L382 PolarHBondContact O-N 2.9Å; V151-L382 CarbonylContact C-O 3.41Å; V151-L382 WeakPolarHBondContact CA-O 3.44Å; L152-L382 PolarHBondContact N-O 2.9Å; I371-L382 HydrophobicContact CD1-CD1 4.27Å; L382-L408 HydrophobicContact CD1-CD1 3.58Å; L382-F411 HydrophobicContact CD1-CE2 3.86Å; L382-F411 HydrophobicContact CD1-CZ 3.83Å; L382-H434 HydrophobicContact CD1-CB 4.29Å; L382-V452 HydrophobicContact CD2-CG1 3.73Å; L382-F454 HydrophobicContact CD2-CD1 3.51Å; L382-F454 HydrophobicContact CD2-CD2 4.46Å; L382-F454 HydrophobicContact CD2-CE1 3.34Å; L382-F454 HydrophobicContact CD2-CE2 4.33Å; L382-F454 HydrophobicContact CD2-CG 4.09Å; L382-F454 HydrophobicContact CD2-CZ 3.8Å; L382-F454 HydrophobicContact CG-CD1 4.48Å; L382-F454 HydrophobicContact CG-CE1 4.37Å
383I95.4Very high91.5Very high2 Ų239.9 Ų39.91%0.0121%0.214CC..EExtended strand (participates in β ladder)trans-97.3127.8171.9-59.4-53.2000109.6L152 E154 Y350 L385 K453 K455L152-I383 HydrophobicContact CB-CD1 3.87Å; L152-I383 CarbonylContact O-C 3.59Å; L152-I383 WeakPolarHBondContact O-CA 3.39Å; E154-I383 HydrophobicContact CG-CG2 3.83Å; Y350-I383 HydrophobicContact CD1-CD1 4.45Å; Y350-I383 HydrophobicContact CD1-CG1 4.1Å; Y350-I383 HydrophobicContact CE1-CD1 3.97Å; Y350-I383 HydrophobicContact CE1-CG1 4.07Å; I383-L385 PolarHBondContact O-N 2.92Å; I383-K453 HydrophobicContact CB-CB 4.02Å; I383-K453 HydrophobicContact CB-CD 3.76Å; I383-K453 HydrophobicContact CB-CG 3.82Å; I383-K453 HydrophobicContact CG1-CB 4.46Å; I383-K453 HydrophobicContact CG1-CD 3.83Å; I383-K453 HydrophobicContact CG1-CG 3.77Å; I383-K453 HydrophobicContact CG2-CD 3.89Å; I383-K453 HydrophobicContact CG2-CG 4.49Å; I383-K453 PolarHBondContact N-O 2.75Å; I383-K455 HydrophobicContact CD1-CB 3.88Å; I383-K455 HydrophobicContact CG1-CB 4.34Å
384N93.9Very high91.8Very high9 Ų937.2 Ų37.25%0.04821%0.206CC..  trans-65.5110.1172.1-173.49.2000109.7V151 L152 T153 K386 P387 L427 N431 C433V151-N384 HydrophobicContact CG1-CB 3.96Å; L152-N384 PolarHBondContact O-N 3.38Å; T153-N384 WeakPolarHBondContact OG1-CB 3.4Å; T153-N384 PolarHBondContact OG1-ND2 2.87Å; N384-K386 VanDerWaalsContact C-N 3.26Å; N384-K386 PolarHBondContact O-N 2.83Å; N384-K386 WeakPolarHBondContact OD1-CB 3.24Å; N384-K386 PolarHBondContact OD1-N 3.3Å; N384-P387 WeakPolarHBondContact O-CD 3.41Å; N384-L427 WeakPolarHBondContact ND2-CD2 3.46Å; N384-N431 PolarHBondContact ND2-O 3.28Å; N384-N431 VanDerWaalsContact ND2-O 3.09Å; N384-C433 PolarHBondContact OD1-N 2.65Å; N384-C433 PolarHBondContact OD1-O 2.92Å
385L94.5Very high92Very high9 Ų935.8 Ų35.85%0.04720%0.199CC..  trans-85.85.9176.7-63.7-177.3000112.9I383 P387 L388 Y389 C433 L436 I451 K453I383-L385 PolarHBondContact O-N 2.92Å; L385-P387 VanDerWaalsContact C-CD 3.5Å; L385-L388 PolarHBondContact O-N 3.32Å; L385-L388 VanDerWaalsContact O-N 3.08Å; L385-Y389 PolarHBondContact O-N 3.45Å; L385-C433 PolarHBondContact N-O 2.91Å; L385-L436 HydrophobicContact CB-CD1 4.25Å; L385-L436 HydrophobicContact CB-CD2 4.24Å; L385-L436 HydrophobicContact CB-CG 4.05Å; L385-L436 HydrophobicContact CD1-CD1 4.21Å; L385-L436 HydrophobicContact CD1-CG 3.91Å; L385-I451 HydrophobicContact CD1-CG2 4.29Å; L385-K453 HydrophobicContact CD2-CB 4.14Å; L385-K453 HydrophobicContact CD2-CD 4.42Å
386K91.8Very high92.5Very high41 Ų4137.9 Ų37.918%0.17820%0.201CC..Hα-helixtrans-54.8-42.9178.6179.8166.1171.944.30113N384 L388 Y389 D390 N431 C433N384-K386 VanDerWaalsContact C-N 3.26Å; N384-K386 PolarHBondContact O-N 2.83Å; N384-K386 WeakPolarHBondContact OD1-CB 3.24Å; N384-K386 PolarHBondContact OD1-N 3.3Å; K386-L388 VanDerWaalsContact C-N 3.28Å; K386-L388 PolarHBondContact O-N 2.94Å; K386-Y389 WeakPolarHBondContact O-CB 3.37Å; K386-Y389 PolarHBondContact O-N 2.76Å; K386-Y389 VanDerWaalsContact O-N 3.15Å; K386-D390 WeakPolarHBondContact CE-OD2 3.3Å; K386-D390 VanDerWaalsContact CG-OD2 3.3Å; K386-D390 WeakPolarHBondContact CG-OD2 3.29Å; K386-D390 IonicContact NZ-OD1 2.78Å; K386-D390 PolarHBondContact NZ-OD1 3.36Å; K386-D390 IonicContact NZ-OD2 2.67Å; K386-D390 PolarHBondContact NZ-OD2 3.23Å; K386-D390 WeakPolarHBondContact O-CB 3.11Å; K386-D390 VanDerWaalsContact O-CG 3.25Å; K386-D390 PolarHBondContact O-N 3.3Å; K386-N431 VanDerWaalsContact CD-O 3.29Å; K386-N431 WeakPolarHBondContact CD-O 3.47Å; K386-N431 WeakPolarHBondContact CD-OD1 3.35Å; K386-N431 WeakPolarHBondContact CE-OD1 3.19Å; K386-C433 HydrophobicContact CB-CB 3.8Å
387P93.3Very high92.8Very high55 Ų5536.3 Ų36.336%0.35720%0.2SC..Hα-helixtrans-57.8-38.9176-26.135.7000113.6T153 N384 L385 L391T153-P387 HydrophobicContact CG2-CG 3.92Å; N384-P387 WeakPolarHBondContact O-CD 3.41Å; L385-P387 VanDerWaalsContact C-CD 3.5Å; P387-L391 WeakPolarHBondContact O-CB 3.39Å; P387-L391 PolarHBondContact O-N 3.22Å; P387-L391 VanDerWaalsContact O-N 3.14Å
388L94.7Very high93Very high7 Ų733.9 Ų33.94%0.03718%0.183CC..Hα-helixtrans-72.5-40177-179.358.6000111.4F156 I196 A200 L385 K386 L392 L436F156-L388 HydrophobicContact CE1-CD1 4.35Å; I196-L388 HydrophobicContact CG2-CD2 4.28Å; A200-L388 HydrophobicContact CB-CD2 4.01Å; L385-L388 PolarHBondContact O-N 3.32Å; L385-L388 VanDerWaalsContact O-N 3.08Å; K386-L388 VanDerWaalsContact C-N 3.28Å; K386-L388 PolarHBondContact O-N 2.94Å; L388-L392 HydrophobicContact CD1-CD1 4.1Å; L388-L392 HydrophobicContact CD1-CG 4.27Å; L388-L392 HydrophobicContact CG-CD1 4Å; L388-L392 WeakPolarHBondContact O-CB 3.32Å; L388-L392 VanDerWaalsContact O-CG 3.25Å; L388-L392 WeakPolarHBondContact O-CG 3.5Å; L388-L392 PolarHBondContact O-N 2.86Å; L388-L436 HydrophobicContact CB-CD1 4.45Å; L388-L436 HydrophobicContact CD2-CD1 3.81Å; L388-L436 HydrophobicContact CG-CD1 4.02Å
389Y93.7Very high93.1Very high56 Ų5633.3 Ų33.322%0.2218%0.18CC..Hα-helixtrans-59.8-50.2173.8170.9-107000112.2L385 K386 L391 L392 T393 V403 P405 L436L385-Y389 PolarHBondContact O-N 3.45Å; K386-Y389 WeakPolarHBondContact O-CB 3.37Å; K386-Y389 PolarHBondContact O-N 2.76Å; K386-Y389 VanDerWaalsContact O-N 3.15Å; Y389-L391 VanDerWaalsContact C-N 3.3Å; Y389-L391 PolarHBondContact O-N 3.12Å; Y389-L392 PolarHBondContact O-N 2.86Å; Y389-T393 WeakPolarHBondContact CE2-OG1 3.28Å; Y389-T393 WeakPolarHBondContact O-CB 3.48Å; Y389-T393 PolarHBondContact O-N 2.87Å; Y389-T393 PolarHBondContact O-OG1 3.11Å; Y389-V403 HydrophobicContact CD2-CB 4.36Å; Y389-V403 HydrophobicContact CD2-CG1 4.05Å; Y389-P405 HydrophobicContact CD1-CB 4.32Å; Y389-P405 HydrophobicContact CD2-CB 4.04Å; Y389-P405 HydrophobicContact CD2-CG 4.39Å; Y389-P405 HydrophobicContact CE1-CB 4.31Å; Y389-P405 HydrophobicContact CE1-CG 4.16Å; Y389-P405 HydrophobicContact CE2-CB 4.06Å; Y389-P405 HydrophobicContact CE2-CG 3.88Å; Y389-P405 HydrophobicContact CG-CB 4.18Å; Y389-L436 HydrophobicContact CD2-CD2 4.29Å; Y389-L436 HydrophobicContact CG-CD2 4.4Å
390D93.2Very high93Very high54 Ų5429.4 Ų29.429%0.28916%0.16SC..Hα-helixtrans-61.6-41.4-178.7-69-16.2000110.3K386 T393 A394K386-D390 WeakPolarHBondContact CE-OD2 3.3Å; K386-D390 VanDerWaalsContact CG-OD2 3.3Å; K386-D390 WeakPolarHBondContact CG-OD2 3.29Å; K386-D390 IonicContact NZ-OD1 2.78Å; K386-D390 PolarHBondContact NZ-OD1 3.36Å; K386-D390 IonicContact NZ-OD2 2.67Å; K386-D390 PolarHBondContact NZ-OD2 3.23Å; K386-D390 WeakPolarHBondContact O-CB 3.11Å; K386-D390 VanDerWaalsContact O-CG 3.25Å; K386-D390 PolarHBondContact O-N 3.3Å; D390-T393 PolarHBondContact O-N 2.93Å; D390-A394 VanDerWaalsContact O-CB 3.31Å; D390-A394 WeakPolarHBondContact O-CB 3.39Å; D390-A394 PolarHBondContact O-N 3.02Å
391L94.4Very high93Very high4 Ų429.1 Ų29.12%0.02116%0.159CC..Hα-helixtrans-62.9-46.8175.517961.9000112.8L48 H51 Q52 L55 I158 P387 Y389 T393 A394 C395L48-L391 HydrophobicContact CB-CD2 4.23Å; L48-L391 HydrophobicContact CD2-CD2 4.26Å; L48-L391 HydrophobicContact CD2-CG 4.06Å; L48-L391 WeakPolarHBondContact O-CD1 3.33Å; H51-L391 HydrophobicContact CB-CD1 3.94Å; Q52-L391 HydrophobicContact CB-CD1 4.09Å; Q52-L391 HydrophobicContact CB-CD2 4.45Å; L55-L391 HydrophobicContact CD1-CB 4.29Å; L55-L391 HydrophobicContact CD1-CD1 3.93Å; I158-L391 HydrophobicContact CD1-CD2 4.02Å; P387-L391 WeakPolarHBondContact O-CB 3.39Å; P387-L391 PolarHBondContact O-N 3.22Å; P387-L391 VanDerWaalsContact O-N 3.14Å; Y389-L391 VanDerWaalsContact C-N 3.3Å; Y389-L391 PolarHBondContact O-N 3.12Å; L391-T393 VanDerWaalsContact C-N 3.31Å; L391-T393 PolarHBondContact O-N 2.89Å; L391-A394 PolarHBondContact O-N 3.33Å; L391-C395 PolarHBondContact O-N 2.83Å; L391-C395 VanDerWaalsContact O-N 3.11Å; L391-C395 PolarHBondContact O-SG 2.83Å
392L94.3Very high92.8Very high3 Ų333.1 Ų33.12%0.01618%0.176CC..Hα-helixtrans-64.7-38.8178.4-71.4167.6000111.4L48 I196 L388 Y389 C395 Y396 V403L48-L392 HydrophobicContact CD2-CD2 4.13Å; I196-L392 HydrophobicContact CD1-CD1 4.07Å; I196-L392 HydrophobicContact CD1-CD2 4.01Å; I196-L392 HydrophobicContact CG1-CD1 4.29Å; I196-L392 HydrophobicContact CG1-CD2 4.2Å; I196-L392 HydrophobicContact CG2-CD1 3.88Å; L388-L392 HydrophobicContact CD1-CD1 4.1Å; L388-L392 HydrophobicContact CD1-CG 4.27Å; L388-L392 HydrophobicContact CG-CD1 4Å; L388-L392 WeakPolarHBondContact O-CB 3.32Å; L388-L392 VanDerWaalsContact O-CG 3.25Å; L388-L392 WeakPolarHBondContact O-CG 3.5Å; L388-L392 PolarHBondContact O-N 2.86Å; Y389-L392 PolarHBondContact O-N 2.86Å; L392-C395 CarbonylContact O-C 3.54Å; L392-C395 PolarHBondContact O-N 2.98Å; L392-Y396 PolarHBondContact O-N 2.78Å; L392-Y396 VanDerWaalsContact O-N 3.14Å; L392-V403 HydrophobicContact CB-CG2 4.2Å; L392-V403 HydrophobicContact CD1-CG2 4.08Å
393T92.2Very high92.7Very high64 Ų6434 Ų3439%0.39318%0.181SC..Hα-helixtrans-66.4-44.1176.9-56.60000111Y389 D390 L391 C395 Y396Y389-T393 WeakPolarHBondContact CE2-OG1 3.28Å; Y389-T393 WeakPolarHBondContact O-CB 3.48Å; Y389-T393 PolarHBondContact O-N 2.87Å; Y389-T393 PolarHBondContact O-OG1 3.11Å; D390-T393 PolarHBondContact O-N 2.93Å; L391-T393 VanDerWaalsContact C-N 3.31Å; L391-T393 PolarHBondContact O-N 2.89Å; T393-C395 PolarHBondContact O-N 2.8Å; T393-Y396 WeakPolarHBondContact O-CB 3.41Å; T393-Y396 PolarHBondContact O-N 3.3Å
394A92.9Very high92.4Very high41 Ų4134.7 Ų34.734%0.33919%0.185SC..Hα-helixtrans-60.5-28.8174.200000112.7L55 D390 L391L55-A394 HydrophobicContact CD1-CB 4.34Å; D390-A394 VanDerWaalsContact O-CB 3.31Å; D390-A394 WeakPolarHBondContact O-CB 3.39Å; D390-A394 PolarHBondContact O-N 3.02Å; L391-A394 PolarHBondContact O-N 3.33Å
395C93.1Very high92.1Very high0 Ų035.3 Ų35.30%019%0.19CC..THydrogen-bonded Turntrans-90.82.4176-60.70000114T47 L48 H51 L391 L392 T393 S397 K398 L399T47-C395 HydrophobicContact CG2-CB 4.41Å; L48-C395 HydrophobicContact CD2-CB 4.38Å; H51-C395 VanDerWaalsContact CG-SG 3.59Å; H51-C395 PolarHBondContact ND1-SG 3.21Å; H51-C395 VanDerWaalsContact ND1-SG 3.42Å; L391-C395 PolarHBondContact O-N 2.83Å; L391-C395 VanDerWaalsContact O-N 3.11Å; L391-C395 PolarHBondContact O-SG 2.83Å; L392-C395 CarbonylContact O-C 3.54Å; L392-C395 PolarHBondContact O-N 2.98Å; T393-C395 PolarHBondContact O-N 2.8Å; C395-S397 VanDerWaalsContact C-N 3.32Å; C395-S397 PolarHBondContact O-N 3Å; C395-K398 PolarHBondContact O-N 2.89Å; C395-L399 HydrophobicContact CB-CD1 3.51Å; C395-L399 HydrophobicContact CB-CG 3.95Å; C395-L399 PolarHBondContact O-N 3.2Å
396Y91.2Very high91.7Very high84 Ų8435 Ų3533%0.32919%0.188SC..Hα-helixtrans-56.8-42.6-172.5176.8-103.8000112.9L392 T393 K398 L399 G400 I401L392-Y396 PolarHBondContact O-N 2.78Å; L392-Y396 VanDerWaalsContact O-N 3.14Å; T393-Y396 WeakPolarHBondContact O-CB 3.41Å; T393-Y396 PolarHBondContact O-N 3.3Å; Y396-K398 PolarHBondContact O-N 3.32Å; Y396-K398 VanDerWaalsContact O-N 3.15Å; Y396-L399 PolarHBondContact O-N 2.83Å; Y396-G400 VanDerWaalsContact O-CA 3.24Å; Y396-G400 WeakPolarHBondContact O-CA 3.47Å; Y396-G400 PolarHBondContact O-N 3.36Å; Y396-I401 WeakPolarHBondContact CD2-O 3.31Å
397S89.9Confident91.2Very high90 Ų9035.6 Ų35.663%0.62919%0.191SC*.Hα-helixtrans-59.2-28.9179.258.40000113.6C395C395-S397 VanDerWaalsContact C-N 3.32Å; C395-S397 PolarHBondContact O-N 3Å
398K90.9Very high90.2Very high83 Ų8333.3 Ų33.336%0.36118%0.176SC..Hα-helixtrans-96-38.2-179.5-67.7176.3-179.5167.50112.9I42 T47 H51 P169 C395 Y396I42-K398 WeakPolarHBondContact CD1-O 3.23Å; T47-K398 HydrophobicContact CG2-CB 4.25Å; T47-K398 HydrophobicContact CG2-CD 3.96Å; H51-K398 PolarHBondContact CE1-NZ 2.92Å; H51-K398 VanDerWaalsContact CE1-NZ 3.28Å; H51-K398 PolarHBondContact NE2-NZ 2.73Å; P169-K398 WeakPolarHBondContact CD-O 2.79Å; C395-K398 PolarHBondContact O-N 2.89Å; Y396-K398 PolarHBondContact O-N 3.32Å; Y396-K398 VanDerWaalsContact O-N 3.15Å
399L92.4Very high88.5Confident2 Ų234.3 Ų34.31%0.0118%0.183CC..Hα-helixtrans-100.5-24.3-171.2-57-179.2000112.7I42 F44 T47 L48 C395 Y396 I401 C444I42-L399 HydrophobicContact CG2-CD2 3.87Å; F44-L399 HydrophobicContact CD2-CD1 3.78Å; F44-L399 HydrophobicContact CD2-CD2 3.93Å; F44-L399 HydrophobicContact CD2-CG 4.42Å; F44-L399 HydrophobicContact CE2-CD1 3.67Å; T47-L399 HydrophobicContact CG2-CD1 4.36Å; T47-L399 HydrophobicContact CG2-CD2 4.09Å; T47-L399 HydrophobicContact CG2-CG 4.21Å; L48-L399 HydrophobicContact CD2-CD1 3.96Å; C395-L399 HydrophobicContact CB-CD1 3.51Å; C395-L399 HydrophobicContact CB-CG 3.95Å; C395-L399 PolarHBondContact O-N 3.2Å; Y396-L399 PolarHBondContact O-N 2.83Å; L399-I401 HydrophobicContact CB-CD1 4.33Å; L399-I401 HydrophobicContact CB-CG1 4.09Å; L399-I401 PolarHBondContact O-N 2.9Å; L399-I401 VanDerWaalsContact O-N 3.12Å; L399-C444 PolarHBondContact O-SG 2.76Å
400G90.4Very high86.7Confident2 Ų232.7 Ų32.72%0.02118%0.178CC..  trans65.47.9-179.800000114.9Y396 K402 C444Y396-G400 VanDerWaalsContact O-CA 3.24Å; Y396-G400 WeakPolarHBondContact O-CA 3.47Å; Y396-G400 PolarHBondContact O-N 3.36Å; G400-K402 PolarHBondContact O-N 3.47Å; G400-C444 WeakPolarHBondContact O-CB 3.41Å
401I92.5Very high84.8Confident5 Ų533 Ų333%0.02618%0.176CC..  trans-73.5114-175.9-56.4-179.7000108.8F44 L192 I196 Y396 L399 V403 I438 Y446F44-I401 HydrophobicContact CD2-CD1 4.5Å; F44-I401 HydrophobicContact CE2-CD1 3.6Å; F44-I401 HydrophobicContact CZ-CD1 4.33Å; L192-I401 HydrophobicContact CB-CD1 4.03Å; L192-I401 HydrophobicContact CD1-CD1 3.75Å; L192-I401 HydrophobicContact CD1-CG1 4.39Å; I196-I401 HydrophobicContact CD1-CD1 3.93Å; I196-I401 HydrophobicContact CD1-CG2 3.9Å; Y396-I401 WeakPolarHBondContact CD2-O 3.31Å; L399-I401 HydrophobicContact CB-CD1 4.33Å; L399-I401 HydrophobicContact CB-CG1 4.09Å; L399-I401 PolarHBondContact O-N 2.9Å; L399-I401 VanDerWaalsContact O-N 3.12Å; I401-V403 HydrophobicContact CG2-CG2 3.8Å; I401-V403 PolarHBondContact O-N 3.43Å; I401-I438 HydrophobicContact CG2-CG2 3.9Å; I401-Y446 HydrophobicContact CG1-CD2 4.28Å
402K91Very high82.3Confident85 Ų8536.8 Ų36.837%0.3720%0.197SC..  trans-83.5115.6176.7-166.3169.5-176.4176.70109.9G400 I439G400-K402 PolarHBondContact O-N 3.47Å; K402-I439 HydrophobicContact CB-CD1 4.44Å; K402-I439 HydrophobicContact CB-CG1 3.87Å; K402-I439 HydrophobicContact CD-CD1 3.46Å; K402-I439 VanDerWaalsContact CD-CD1 3.46Å; K402-I439 HydrophobicContact CD-CG1 3.86Å; K402-I439 HydrophobicContact CG-CD1 3.71Å; K402-I439 HydrophobicContact CG-CG1 3.63Å; K402-I439 PolarHBondContact O-N 3.1Å
403V90.7Very high79.6Confident17 Ų1741.4 Ų41.410%0.10322%0.222CC..EExtended strand (participates in β ladder)trans-121.2134-178.3-171.20000109.2Y389 L392 I401 L436 I438Y389-V403 HydrophobicContact CD2-CB 4.36Å; Y389-V403 HydrophobicContact CD2-CG1 4.05Å; L392-V403 HydrophobicContact CB-CG2 4.2Å; L392-V403 HydrophobicContact CD1-CG2 4.08Å; I401-V403 HydrophobicContact CG2-CG2 3.8Å; I401-V403 PolarHBondContact O-N 3.43Å; V403-L436 HydrophobicContact CG1-CB 4.06Å; V403-L436 HydrophobicContact CG1-CD2 4.01Å; V403-L436 HydrophobicContact CG1-CG 4.46Å; V403-I438 HydrophobicContact CG2-CG1 4.35Å
404I89.2Confident76.9Confident18 Ų1845.2 Ų45.29%0.09224%0.24CC..EExtended strand (participates in β ladder)trans-108.4125.5174.5-58.7-179.9000108.3Q84 F127 I406 L437 I439Q84-I404 VanDerWaalsContact OE1-CG2 3.31Å; F127-I404 HydrophobicContact CB-CD1 3.93Å; F127-I404 HydrophobicContact CD1-CD1 3.48Å; F127-I404 VanDerWaalsContact CD1-CD1 3.48Å; F127-I404 HydrophobicContact CD2-CD1 3.35Å; F127-I404 HydrophobicContact CE1-CD1 3.71Å; F127-I404 HydrophobicContact CE2-CD1 3.6Å; F127-I404 HydrophobicContact CG-CD1 3.29Å; F127-I404 HydrophobicContact CZ-CD1 3.77Å; I404-I406 HydrophobicContact CG2-CD1 4.32Å; I404-L437 HydrophobicContact CB-CB 4.31Å; I404-L437 PolarHBondContact N-O 2.98Å; I404-L437 PolarHBondContact O-N 3.48Å; I404-I439 HydrophobicContact CD1-CD1 3.67Å; I404-I439 HydrophobicContact CD1-CG1 4.22Å; I404-I439 HydrophobicContact CD1-CG2 3.88Å; I404-I439 HydrophobicContact CG1-CD1 4.13Å; I404-I439 HydrophobicContact CG1-CG1 4.35Å; I404-I439 HydrophobicContact CG1-CG2 4.41Å
405P89Confident74.1Confident22 Ų2250.5 Ų50.514%0.14326%0.262CS..EExtended strand (participates in β ladder)trans-76.6129.717631.2-31.2000109.7Q84 Y389 C433Q84-P405 PolarHBondContact NE2-O 3.42Å; Q84-P405 PolarHBondContact OE1-O 3.22Å; Y389-P405 HydrophobicContact CD1-CB 4.32Å; Y389-P405 HydrophobicContact CD2-CB 4.04Å; Y389-P405 HydrophobicContact CD2-CG 4.39Å; Y389-P405 HydrophobicContact CE1-CB 4.31Å; Y389-P405 HydrophobicContact CE1-CG 4.16Å; Y389-P405 HydrophobicContact CE2-CB 4.06Å; Y389-P405 HydrophobicContact CE2-CG 3.88Å; Y389-P405 HydrophobicContact CG-CB 4.18Å; P405-C433 HydrophobicContact CB-CB 4.36Å; P405-C433 WeakPolarHBondContact CB-SG 3.41Å
406I85.3Confident71.3Confident1 Ų157.5 Ų57.51%0.00530%0.299CS..EExtended strand (participates in β ladder)trans-99.7129.4-178.5-53.5-60.3000110.1Q364 I404 H434 G435 L437 F450Q364-I406 HydrophobicContact CG-CG2 3.69Å; I404-I406 HydrophobicContact CG2-CD1 4.32Å; I406-H434 PolarHBondContact O-N 3.3Å; I406-G435 PolarHBondContact N-O 3.2Å; I406-G435 PolarHBondContact O-N 3.06Å; I406-G435 VanDerWaalsContact O-N 3.15Å; I406-L437 HydrophobicContact CD1-CB 3.86Å; I406-L437 HydrophobicContact CG1-CB 4.27Å; I406-F450 HydrophobicContact CB-CE2 4.41Å; I406-F450 HydrophobicContact CG1-CD2 4.26Å; I406-F450 HydrophobicContact CG1-CE2 3.89Å; I406-F450 HydrophobicContact CG2-CE2 4.19Å
407H81.1Confident68.4Low54 Ų5461 Ų6125%0.2532%0.324CS..  trans-112.6126.9173.7-53.7-96.7000109.6T432H407-T432 PolarHBondContact CE1-O 3.01Å; H407-T432 PolarHBondContact ND1-O 2.76Å
408L71.9Confident65.7Low8 Ų865.2 Ų65.24%0.04234%0.336CS..  trans-89.4136.6178.5-65.4168.4000109.5Q364 I367 I371 L382 L410 F411 H434Q364-L408 HydrophobicContact CB-CD2 4.3Å; Q364-L408 HydrophobicContact CG-CD2 4.43Å; I367-L408 HydrophobicContact CB-CD2 4.37Å; I367-L408 HydrophobicContact CG2-CD1 3.49Å; I367-L408 VanDerWaalsContact CG2-CD1 3.49Å; I367-L408 HydrophobicContact CG2-CD2 4.17Å; I367-L408 HydrophobicContact CG2-CG 4.49Å; I371-L408 HydrophobicContact CD1-CD1 4.13Å; L382-L408 HydrophobicContact CD1-CD1 3.58Å; L408-L410 PolarHBondContact O-N 2.87Å; L408-L410 VanDerWaalsContact O-N 3.16Å; L408-F411 HydrophobicContact CB-CD2 4.47Å; L408-F411 HydrophobicContact CB-CE2 4.37Å; L408-H434 HydrophobicContact CD1-CB 3.88Å; L408-H434 HydrophobicContact CG-CB 3.94Å; L408-H434 PolarHBondContact N-ND1 3.37Å
409P58.5Low62.9Low28 Ų2865.9 Ų65.918%0.18235%0.351CS..G310 helixtrans-72.6-4.5-174.928.8-35.1000114.6R83 F411R83-P409 HydrophobicContact CG-CB 4.08Å; P409-F411 PolarHBondContact O-N 3.37Å
410L58Low60Low21 Ų2175 Ų7511%0.1139%0.391CS..G310 helixtrans-72.5-4.7-175.3-66.4175000114.8L146 Q368 I371 L372 L408L146-L410 HydrophobicContact CD1-CD2 4.47Å; L146-L410 HydrophobicContact CD2-CB 4.06Å; L146-L410 HydrophobicContact CD2-CD2 4.07Å; Q368-L410 HydrophobicContact CB-CD1 4.42Å; Q368-L410 HydrophobicContact CG-CD1 4.06Å; Q368-L410 HydrophobicContact CG-CD2 4.08Å; Q368-L410 HydrophobicContact CG-CG 4.17Å; I371-L410 HydrophobicContact CB-CD1 3.68Å; I371-L410 HydrophobicContact CD1-CD1 3.6Å; I371-L410 HydrophobicContact CG1-CD1 4.24Å; I371-L410 HydrophobicContact CG2-CD1 3.59Å; L372-L410 HydrophobicContact CD2-CD2 4.09Å; L372-L410 HydrophobicContact CG-CD2 4.38Å; L408-L410 PolarHBondContact O-N 2.87Å; L408-L410 VanDerWaalsContact O-N 3.16Å
411F51.2Low57.3Low60 Ų6083.1 Ų83.126%0.26343%0.428SS..G310 helixtrans-998-176.3-66.5-80.9000114L149 V151 L382 L408 P409 N413 H434L149-F411 HydrophobicContact CB-CD1 4.49Å; L149-F411 HydrophobicContact CB-CE1 3.62Å; L149-F411 HydrophobicContact CB-CZ 3.89Å; L149-F411 HydrophobicContact CD2-CE1 3.9Å; L149-F411 HydrophobicContact CD2-CE2 3.84Å; L149-F411 HydrophobicContact CD2-CZ 3.22Å; L149-F411 HydrophobicContact CG-CE1 3.72Å; L149-F411 HydrophobicContact CG-CZ 3.5Å; L149-F411 VanDerWaalsContact CG-CZ 3.5Å; L149-F411 VanDerWaalsContact O-CE1 3.26Å; L149-F411 WeakPolarHBondContact O-CE1 3.27Å; V151-F411 HydrophobicContact CG2-CD1 4.02Å; V151-F411 HydrophobicContact CG2-CE1 3.23Å; V151-F411 HydrophobicContact CG2-CE2 4.21Å; V151-F411 HydrophobicContact CG2-CZ 3.32Å; L382-F411 HydrophobicContact CD1-CE2 3.86Å; L382-F411 HydrophobicContact CD1-CZ 3.83Å; L408-F411 HydrophobicContact CB-CD2 4.47Å; L408-F411 HydrophobicContact CB-CE2 4.37Å; P409-F411 PolarHBondContact O-N 3.37Å; F411-N413 VanDerWaalsContact C-N 3.27Å; F411-N413 PolarHBondContact O-N 2.93Å; F411-H434 AromaticContact CD2-CD2 3.98Å; F411-H434 AromaticContact CD2-CE1 3.54Å; F411-H434 AromaticContact CD2-NE2 3.29Å; F411-H434 VanDerWaalsContact CD2-NE2 3.29Å; F411-H434 WeakPolarHBondContact CD2-NE2 3.49Å; F411-H434 AromaticContact CE2-CD2 3.36Å; F411-H434 WeakPolarHBondContact CE2-CD2 3.09Å; F411-H434 AromaticContact CE2-CE1 3.76Å; F411-H434 AromaticContact CE2-NE2 3.11Å; F411-H434 WeakPolarHBondContact CE2-NE2 3.42Å; F411-H434 AromaticContact CG-NE2 3.97Å; F411-H434 AromaticContact CZ-CD2 3.86Å; F411-H434 AromaticContact CZ-NE2 3.65Å
412D43.4Very low54.4Low84 Ų8490 Ų9045%0.44946%0.464SS..  trans-80.872.2174.5-78.8-17.7000110.8
413N38.1Very low51.5Low100 Ų10094 Ų9454%0.53548%0.484SS..  trans-101.1106.7168.2-92.4-14.3000110.6F411 N415F411-N413 VanDerWaalsContact C-N 3.27Å; F411-N413 PolarHBondContact O-N 2.93Å; N413-N415 PolarHBondContact O-N 3.46Å; N413-N415 VanDerWaalsContact O-N 3.11Å
414N33.6Very low48.7Very low145 Ų145100.8 Ų100.878%0.77552%0.52SS*.  trans20.872.8150.9-70.6-20.8000118.4N416N414-N416 PolarHBondContact O-N 3.06Å
415N34.8Very low46.3Very low151 Ų151106 Ų10681%0.80755%0.553SS**THydrogen-bonded Turntrans-71.416.2167.7-102.4-3.5000114.9N413N413-N415 PolarHBondContact O-N 3.46Å; N413-N415 VanDerWaalsContact O-N 3.11Å
416N34.5Very low43.7Very low147 Ų147111.8 Ų111.879%0.78658%0.582SS**THydrogen-bonded Turntrans-103-6.3-175.8-79.5-1.6000115.5N414N414-N416 PolarHBondContact O-N 3.06Å
417N31.1Very low41.9Very low157 Ų157115.5 Ų115.584%0.8460%0.602SS**SBendtrans-150.546.1-174.5-80.6-31.5000115.6
418M32.5Very low40.2Very low180 Ų180116.6 Ų116.689%0.88762%0.616SS**  trans-133.5129.2170.6-94.6-81.7-170.900111.4
419S32.2Very low39.3Very low96 Ų96120.2 Ų120.267%0.67164%0.642SS**  trans-59.6147.2-176.437.50000113.6E421S419-E421 PolarHBondContact O-N 2.84Å
420K30.9Very low39.2Very low195 Ų195125.2 Ų125.285%0.84867%0.667SS**THydrogen-bonded Turntrans-65.829.1-173-75.5-179.4167.7178.10116.8
421E34Very low39.7Very low171 Ų171127.6 Ų127.680%0.79968%0.68SS**THydrogen-bonded Turntrans-111.3-7.1-168.2-68.8-169.5166.200117.1S419S419-E421 PolarHBondContact O-N 2.84Å
422D31.6Very low41Very low149 Ų149125.3 Ų125.380%0.79767%0.671SS**  trans-115.689.6174.5-74.7-35.3000111.8D424D422-D424 PolarHBondContact O-N 3.22Å
423H29.8Very low43Very low170 Ų170121.4 Ų121.479%0.78765%0.65SS**  trans-887-168.6-113.5-56.8000116.9
424D31.7Very low45.4Very low160 Ų160116.9 Ų116.986%0.85663%0.626SS**SBendtrans-114.43-165.7-84.8-18.4000118.7D422D422-D424 PolarHBondContact O-N 3.22Å
425T39.9Very low48.2Very low126 Ų126110 Ų11077%0.77359%0.589SS**SBendtrans-143.510.7-177.952.10000119L427T425-L427 PolarHBondContact O-N 2.92Å
426N34.7Very low51.1Low144 Ų144102.8 Ų102.877%0.7755%0.55SS**  trans-92.990.2177.8-74.9-24.5000112.3S428N426-S428 PolarHBondContact O-N 3.45Å
427L46.7Very low53.9Low80 Ų8096 Ų9642%0.41951%0.514SS..  trans-67.6122.4168.8-128.977.4000108.9N384 T425 N431 T432N384-L427 WeakPolarHBondContact ND2-CD2 3.46Å; T425-L427 PolarHBondContact O-N 2.92Å; L427-N431 HydrophobicContact CD2-CB 4.36Å; L427-N431 WeakPolarHBondContact CD2-O 3.13Å; L427-N431 HydrophobicContact CG-CB 4.27Å; L427-T432 HydrophobicContact CB-CG2 3.9Å; L427-T432 HydrophobicContact CD2-CG2 3.65Å; L427-T432 HydrophobicContact CG-CG2 4.3Å
428S46Very low57Low77 Ų7788.5 Ų88.554%0.53847%0.474SS..  trans-57.6146.2174.561.80000110.8N426 N430 N431N426-S428 PolarHBondContact O-N 3.45Å; S428-N430 PolarHBondContact O-N 3.01Å; S428-N430 VanDerWaalsContact O-N 3.11Å; S428-N431 WeakPolarHBondContact O-CA 3.39Å; S428-N431 PolarHBondContact O-N 3.21Å
429S52.3Low59.8Low83 Ų8380.2 Ų80.258%0.5843%0.433SS*.G310 helixtrans-52.9-35.8-178.254.20000112.8N431 T432S429-N431 PolarHBondContact O-N 2.86Å; S429-T432 PolarHBondContact O-N 3.5Å; S429-T432 PolarHBondContact O-OG1 3.1Å; S429-T432 VanDerWaalsContact O-OG1 3.05Å
430N56.4Low62.7Low134 Ų13475.9 Ų75.972%0.71740%0.403SS*.G310 helixtrans-65.9-16.2176.2-71.6-8.7000114.1S428S428-N430 PolarHBondContact O-N 3.01Å; S428-N430 VanDerWaalsContact O-N 3.11Å
431N69.3Low65.4Low70 Ų7067.4 Ų67.437%0.37437%0.368SS..G310 helixtrans-105.66.8-177.3-151.923.1000113.7N384 K386 L427 S428 S429N384-N431 PolarHBondContact ND2-O 3.28Å; N384-N431 VanDerWaalsContact ND2-O 3.09Å; K386-N431 VanDerWaalsContact CD-O 3.29Å; K386-N431 WeakPolarHBondContact CD-O 3.47Å; K386-N431 WeakPolarHBondContact CD-OD1 3.35Å; K386-N431 WeakPolarHBondContact CE-OD1 3.19Å; L427-N431 HydrophobicContact CD2-CB 4.36Å; L427-N431 WeakPolarHBondContact CD2-O 3.13Å; L427-N431 HydrophobicContact CG-CB 4.27Å; S428-N431 WeakPolarHBondContact O-CA 3.39Å; S428-N431 PolarHBondContact O-N 3.21Å; S429-N431 PolarHBondContact O-N 2.86Å
432T76.7Confident68Low13 Ų1364.5 Ų64.58%0.0836%0.357CS..  trans-112.2137.3178.460.70000110.5V151 H407 L427 S429 H434V151-T432 HydrophobicContact CG1-CG2 4.46Å; H407-T432 PolarHBondContact CE1-O 3.01Å; H407-T432 PolarHBondContact ND1-O 2.76Å; L427-T432 HydrophobicContact CB-CG2 3.9Å; L427-T432 HydrophobicContact CD2-CG2 3.65Å; L427-T432 HydrophobicContact CG-CG2 4.3Å; S429-T432 PolarHBondContact O-N 3.5Å; S429-T432 PolarHBondContact O-OG1 3.1Å; S429-T432 VanDerWaalsContact O-OG1 3.05Å; T432-H434 PolarHBondContact OG1-CE1 2.74Å
433C86.4Confident70.6Confident2 Ų259.5 Ų59.51%0.01433%0.334CS..  trans-131.7108.3170.5174.90000107.2N384 L385 K386 P405 G435N384-C433 PolarHBondContact OD1-N 2.65Å; N384-C433 PolarHBondContact OD1-O 2.92Å; L385-C433 PolarHBondContact N-O 2.91Å; K386-C433 HydrophobicContact CB-CB 3.8Å; P405-C433 HydrophobicContact CB-CB 4.36Å; P405-C433 WeakPolarHBondContact CB-SG 3.41Å; C433-G435 PolarHBondContact SG-O 2.82Å
434H88.9Confident73.3Confident4 Ų451.5 Ų51.52%0.01930%0.297CS..  trans-82.3-27.8-171.4-58.398000112.8L382 I406 L408 F411 T432L382-H434 HydrophobicContact CD1-CB 4.29Å; I406-H434 PolarHBondContact O-N 3.3Å; L408-H434 HydrophobicContact CD1-CB 3.88Å; L408-H434 HydrophobicContact CG-CB 3.94Å; L408-H434 PolarHBondContact N-ND1 3.37Å; F411-H434 AromaticContact CD2-CD2 3.98Å; F411-H434 AromaticContact CD2-CE1 3.54Å; F411-H434 AromaticContact CD2-NE2 3.29Å; F411-H434 VanDerWaalsContact CD2-NE2 3.29Å; F411-H434 WeakPolarHBondContact CD2-NE2 3.49Å; F411-H434 AromaticContact CE2-CD2 3.36Å; F411-H434 WeakPolarHBondContact CE2-CD2 3.09Å; F411-H434 AromaticContact CE2-CE1 3.76Å; F411-H434 AromaticContact CE2-NE2 3.11Å; F411-H434 WeakPolarHBondContact CE2-NE2 3.42Å; F411-H434 AromaticContact CG-NE2 3.97Å; F411-H434 AromaticContact CZ-CD2 3.86Å; F411-H434 AromaticContact CZ-NE2 3.65Å; T432-H434 PolarHBondContact OG1-CE1 2.74Å
435G92.7Very high76.2Confident0 Ų044.2 Ų44.20%026%0.258CS..EExtended strand (participates in β ladder)trans-147.5171.1179.100000112.3I406 C433 I451I406-G435 PolarHBondContact N-O 3.2Å; I406-G435 PolarHBondContact O-N 3.06Å; I406-G435 VanDerWaalsContact O-N 3.15Å; C433-G435 PolarHBondContact SG-O 2.82Å; G435-I451 CarbonylContact C-O 3.58Å; G435-I451 WeakPolarHBondContact CA-O 3.47Å
436L94.5Very high78.8Confident0 Ų038.3 Ų38.30%022%0.221CC..EExtended strand (participates in β ladder)trans-127.4139.3174.1-57.1175.5000109L385 L388 Y389 V403 F450 I451L385-L436 HydrophobicContact CB-CD1 4.25Å; L385-L436 HydrophobicContact CB-CD2 4.24Å; L385-L436 HydrophobicContact CB-CG 4.05Å; L385-L436 HydrophobicContact CD1-CD1 4.21Å; L385-L436 HydrophobicContact CD1-CG 3.91Å; L388-L436 HydrophobicContact CB-CD1 4.45Å; L388-L436 HydrophobicContact CD2-CD1 3.81Å; L388-L436 HydrophobicContact CG-CD1 4.02Å; Y389-L436 HydrophobicContact CD2-CD2 4.29Å; Y389-L436 HydrophobicContact CG-CD2 4.4Å; V403-L436 HydrophobicContact CG1-CB 4.06Å; V403-L436 HydrophobicContact CG1-CD2 4.01Å; V403-L436 HydrophobicContact CG1-CG 4.46Å; L436-F450 CarbonylContact O-C 3.56Å; L436-F450 WeakPolarHBondContact O-CA 3.31Å; L436-I451 HydrophobicContact CB-CB 4.47Å; L436-I451 PolarHBondContact N-O 2.97Å; L436-I451 PolarHBondContact O-N 3.36Å
437L94.5Very high81.6Confident4 Ų431.6 Ų31.62%0.02119%0.186CC..EExtended strand (participates in β ladder)trans-119.4107.8168-177.869.2000109.2F127 L358 I404 I406 I439 T449 F450F127-L437 HydrophobicContact CE1-CD2 3.79Å; F127-L437 HydrophobicContact CZ-CD2 4.43Å; L358-L437 HydrophobicContact CD2-CD1 4.37Å; L358-L437 HydrophobicContact CD2-CD2 4.19Å; I404-L437 HydrophobicContact CB-CB 4.31Å; I404-L437 PolarHBondContact N-O 2.98Å; I404-L437 PolarHBondContact O-N 3.48Å; I406-L437 HydrophobicContact CD1-CB 3.86Å; I406-L437 HydrophobicContact CG1-CB 4.27Å; L437-I439 HydrophobicContact CD2-CG2 3.75Å; L437-I439 HydrophobicContact CG-CG2 3.67Å; L437-T449 WeakPolarHBondContact CA-O 3.33Å; L437-F450 HydrophobicContact CD1-CB 3.97Å; L437-F450 HydrophobicContact CD1-CD2 4.5Å
438I95.5Very high83.9Confident1 Ų128 Ų281%0.00517%0.167CC..EExtended strand (participates in β ladder)trans-78.8120.3170.3-59.886.5000106.9I196 I401 V403 P448 T449 I451I196-I438 HydrophobicContact CB-CD1 4.48Å; I196-I438 HydrophobicContact CD1-CG1 4.01Å; I196-I438 HydrophobicContact CG2-CD1 4.07Å; I401-I438 HydrophobicContact CG2-CG2 3.9Å; V403-I438 HydrophobicContact CG2-CG1 4.35Å; I438-P448 CarbonylContact O-C 3.59Å; I438-P448 VanDerWaalsContact O-CA 3.26Å; I438-P448 WeakPolarHBondContact O-CA 3.33Å; I438-T449 HydrophobicContact CD1-CG2 4.34Å; I438-T449 WeakPolarHBondContact CD1-O 3.4Å; I438-T449 PolarHBondContact N-O 3.32Å; I438-T449 PolarHBondContact O-N 3.14Å; I438-I451 HydrophobicContact CD1-CD1 3.6Å; I438-I451 HydrophobicContact CD1-CG1 4.29Å
439I91.8Very high86.3Confident5 Ų524.5 Ų24.53%0.02614%0.143CC..  trans-110.5140.4-176.458162.9000112F127 L358 K402 I404 L437 S441F127-I439 HydrophobicContact CD2-CD1 4.33Å; F127-I439 HydrophobicContact CE1-CG2 4.34Å; F127-I439 HydrophobicContact CE2-CD1 3.7Å; F127-I439 HydrophobicContact CE2-CG2 4.27Å; F127-I439 HydrophobicContact CZ-CD1 4.27Å; F127-I439 HydrophobicContact CZ-CG2 3.73Å; L358-I439 HydrophobicContact CD2-CG2 3.85Å; K402-I439 HydrophobicContact CB-CD1 4.44Å; K402-I439 HydrophobicContact CB-CG1 3.87Å; K402-I439 HydrophobicContact CD-CD1 3.46Å; K402-I439 VanDerWaalsContact CD-CD1 3.46Å; K402-I439 HydrophobicContact CD-CG1 3.86Å; K402-I439 HydrophobicContact CG-CD1 3.71Å; K402-I439 HydrophobicContact CG-CG1 3.63Å; K402-I439 PolarHBondContact O-N 3.1Å; I404-I439 HydrophobicContact CD1-CD1 3.67Å; I404-I439 HydrophobicContact CD1-CG1 4.22Å; I404-I439 HydrophobicContact CD1-CG2 3.88Å; I404-I439 HydrophobicContact CG1-CD1 4.13Å; I404-I439 HydrophobicContact CG1-CG1 4.35Å; I404-I439 HydrophobicContact CG1-CG2 4.41Å; L437-I439 HydrophobicContact CD2-CG2 3.75Å; L437-I439 HydrophobicContact CG-CG2 3.67Å; I439-S441 PolarHBondContact O-N 3.05Å
440P91.7Very high88.4Confident5 Ų520.5 Ų20.53%0.03212%0.115CC..  trans-55.8133171-30.139.1000112.6A4 L5 R308 N445 Y446 P448A4-P440 HydrophobicContact CB-CB 3.78Å; L5-P440 HydrophobicContact CD2-CB 4.48Å; L5-P440 HydrophobicContact CD2-CG 3.77Å; L5-P440 HydrophobicContact CG-CG 4.27Å; R308-P440 VanDerWaalsContact NH2-CB 3.32Å; R308-P440 VanDerWaalsContact NH2-CG 3.26Å; P440-N445 WeakPolarHBondContact CB-OD1 3.45Å; P440-Y446 WeakPolarHBondContact CA-O 3.21Å; P440-P448 HydrophobicContact CG-CB 4.26Å; P440-P448 HydrophobicContact CG-CG 4.47Å
441S89.1Confident90.4Very high17 Ų1714.1 Ų14.112%0.1198%0.081CC..  trans-132.2154.8170.471.20000110.2I439 S443 C444 N445I439-S441 PolarHBondContact O-N 3.05Å; S441-S443 VanDerWaalsContact C-N 3.33Å; S441-S443 PolarHBondContact O-N 2.9Å; S441-C444 CarbonylContact O-C 3.52Å; S441-C444 VanDerWaalsContact O-C 3.24Å; S441-C444 PolarHBondContact O-N 3.5Å; S441-C444 PolarHBondContact OG-N 3.02Å; S441-C444 VanDerWaalsContact OG-N 3.07Å; S441-C444 PolarHBondContact OG-O 2.79Å; S441-N445 WeakPolarHBondContact O-CA 3.27Å; S441-N445 VanDerWaalsContact O-CB 3.28Å; S441-N445 WeakPolarHBondContact O-CB 3.48Å; S441-N445 PolarHBondContact O-N 3.47Å; S441-N445 VanDerWaalsContact O-N 3.15Å
442I87.1Confident91.7Very high110 Ų11010.8 Ų10.856%0.5646%0.063SC*.SBendtrans-63.8-41.8-179.5-63.8172000110.6I3 A4 M7I3-I442 HydrophobicContact CG2-CD1 4.08Å; I3-I442 HydrophobicContact CG2-CG1 4.38Å; A4-I442 HydrophobicContact CB-CG1 4.36Å; M7-I442 HydrophobicContact CE-CG2 4.34Å; M7-I442 HydrophobicContact SD-CG1 4.23Å; M7-I442 HydrophobicContact SD-CG2 4.07Å
443S86.5Confident92.7Very high45 Ų4510.2 Ų10.232%0.3156%0.059SC..SBendtrans-71.1-31.9179.758.40000113G170 S441G170-S443 PolarHBondContact N-O 2.94Å; S441-S443 VanDerWaalsContact C-N 3.33Å; S441-S443 PolarHBondContact O-N 2.9Å
444C87.3Confident93.2Very high1 Ų110.1 Ų10.11%0.0076%0.059CC..SBendtrans-145.185.1-178.8-146.30000110.9L399 G400 S441 Y446L399-C444 PolarHBondContact O-SG 2.76Å; G400-C444 WeakPolarHBondContact O-CB 3.41Å; S441-C444 CarbonylContact O-C 3.52Å; S441-C444 VanDerWaalsContact O-C 3.24Å; S441-C444 PolarHBondContact O-N 3.5Å; S441-C444 PolarHBondContact OG-N 3.02Å; S441-C444 VanDerWaalsContact OG-N 3.07Å; S441-C444 PolarHBondContact OG-O 2.79Å; C444-Y446 VanDerWaalsContact C-N 3.27Å; C444-Y446 PolarHBondContact O-N 2.98Å; C444-Y446 WeakPolarHBondContact SG-CD2 3.25Å; C444-Y446 WeakPolarHBondContact SG-CE2 3.25Å
445N91.8Very high93.6Very high7 Ų712 Ų124%0.0377%0.067CC..  trans-85.457.7-166-160.816.7000113.9A4 M7 P8 P9 K10 R308 P440 S441A4-N445 VanDerWaalsContact O-CG 3.26Å; A4-N445 PolarHBondContact O-ND2 2.85Å; A4-N445 PolarHBondContact O-OD1 3.26Å; M7-N445 PolarHBondContact O-ND2 3.08Å; M7-N445 VanDerWaalsContact O-ND2 3.14Å; P8-N445 PolarHBondContact O-ND2 3.44Å; P9-N445 WeakPolarHBondContact CA-O 3.02Å; K10-N445 HydrophobicContact CB-CB 4.22Å; K10-N445 PolarHBondContact N-O 2.9Å; R308-N445 PolarHBondContact NH1-ND2 2.93Å; R308-N445 PolarHBondContact NH1-OD1 3.29Å; R308-N445 PolarHBondContact NH2-OD1 3.45Å; P440-N445 WeakPolarHBondContact CB-OD1 3.45Å; S441-N445 WeakPolarHBondContact O-CA 3.27Å; S441-N445 VanDerWaalsContact O-CB 3.28Å; S441-N445 WeakPolarHBondContact O-CB 3.48Å; S441-N445 PolarHBondContact O-N 3.47Å; S441-N445 VanDerWaalsContact O-N 3.15Å
446Y94.4Very high93.7Very high3 Ų314.9 Ų14.91%0.0128%0.078CC..  trans-94.9159.5173.1-64.4-62.6000111.3K10 D191 L192 I401 P440 C444K10-Y446 HydrophobicContact CB-CD1 4.26Å; K10-Y446 HydrophobicContact CB-CE1 3.92Å; K10-Y446 HydrophobicContact CB-CE2 4.43Å; K10-Y446 HydrophobicContact CD-CE2 3.87Å; K10-Y446 HydrophobicContact CG-CE1 4.1Å; K10-Y446 HydrophobicContact CG-CE2 4.27Å; K10-Y446 VanDerWaalsContact O-CD1 3.31Å; K10-Y446 WeakPolarHBondContact O-CD1 3.43Å; K10-Y446 WeakPolarHBondContact O-CE1 3.45Å; D191-Y446 WeakPolarHBondContact OD1-CB 3.46Å; L192-Y446 HydrophobicContact CB-CD1 3.98Å; L192-Y446 HydrophobicContact CB-CD2 4.06Å; L192-Y446 HydrophobicContact CB-CE1 4.06Å; L192-Y446 HydrophobicContact CB-CE2 4.14Å; L192-Y446 HydrophobicContact CB-CG 3.99Å; L192-Y446 HydrophobicContact CD1-CD2 3.99Å; L192-Y446 HydrophobicContact CD1-CE1 4.21Å; L192-Y446 HydrophobicContact CD1-CE2 3.34Å; L192-Y446 VanDerWaalsContact CD1-CZ 3.49Å; L192-Y446 HydrophobicContact CG-CD1 4.22Å; L192-Y446 HydrophobicContact CG-CD2 4.26Å; L192-Y446 HydrophobicContact CG-CE1 3.76Å; L192-Y446 HydrophobicContact CG-CE2 3.81Å; L192-Y446 HydrophobicContact CG-CG 4.46Å; I401-Y446 HydrophobicContact CG1-CD2 4.28Å; P440-Y446 WeakPolarHBondContact CA-O 3.21Å; C444-Y446 VanDerWaalsContact C-N 3.27Å; C444-Y446 PolarHBondContact O-N 2.98Å; C444-Y446 WeakPolarHBondContact SG-CD2 3.25Å; C444-Y446 WeakPolarHBondContact SG-CE2 3.25Å
447G93.1Very high93.7Very high3 Ų315.8 Ų15.83%0.0318%0.082CC..  trans75.4-165.2179.600000114D191 R308D191-G447 PolarHBondContact OD1-N 3.16Å; D191-G447 PolarHBondContact OD2-N 3.2Å; R308-G447 PolarHBondContact NE-O 3.36Å; R308-G447 PolarHBondContact NH2-O 3.46Å
448P95.2Very high93.4Very high3 Ų321.7 Ų21.72%0.01912%0.121CC..  cis-74.7146.11130.4-34.8000112.9L5 D307 S356 L358 I438 P440L5-P448 HydrophobicContact CD2-CG 4.33Å; D307-P448 HydrophobicContact CB-CG 4.48Å; S356-P448 CarbonylContact C-O 3.6Å; S356-P448 WeakPolarHBondContact CA-O 3.48Å; L358-P448 HydrophobicContact CD1-CB 4.44Å; L358-P448 HydrophobicContact CD2-CB 3.62Å; L358-P448 HydrophobicContact CG-CB 3.65Å; L358-P448 HydrophobicContact CG-CG 4.04Å; I438-P448 CarbonylContact O-C 3.59Å; I438-P448 VanDerWaalsContact O-CA 3.26Å; I438-P448 WeakPolarHBondContact O-CA 3.33Å; P440-P448 HydrophobicContact CG-CB 4.26Å; P440-P448 HydrophobicContact CG-CG 4.47Å
449T97Very high93.3Very high4 Ų422.8 Ų22.83%0.02513%0.127CC..EExtended strand (participates in β ladder)trans-145.2122.6173.5-64.90000111.3S193 T197 T355 L437 I438 I451S193-T449 VanDerWaalsContact CB-OG1 3.27Å; S193-T449 WeakPolarHBondContact CB-OG1 3.33Å; S193-T449 PolarHBondContact OG-OG1 3.33Å; T197-T449 WeakPolarHBondContact OG1-CG2 3.28Å; T355-T449 CarbonylContact O-C 3.41Å; T355-T449 VanDerWaalsContact O-CA 3.25Å; T355-T449 WeakPolarHBondContact O-CA 3.28Å; L437-T449 WeakPolarHBondContact CA-O 3.33Å; I438-T449 HydrophobicContact CD1-CG2 4.34Å; I438-T449 WeakPolarHBondContact CD1-O 3.4Å; I438-T449 PolarHBondContact N-O 3.32Å; I438-T449 PolarHBondContact O-N 3.14Å; T449-I451 HydrophobicContact CG2-CD1 4.19Å; T449-I451 HydrophobicContact CG2-CG1 3.85Å
450F97Very high93.4Very high0 Ų023.7 Ų23.70%013%0.132CC..EExtended strand (participates in β ladder)trans-95.8142.4170.3176.8-102.9000110.3Y353 S354 T355 N363 Q364 I367 I406 L436 L437 V452Y353-F450 AromaticContact CD1-CD1 3.9Å; Y353-F450 HydrophobicContact CD1-CD1 3.9Å; Y353-F450 AromaticContact CD1-CE1 3.79Å; Y353-F450 HydrophobicContact CD1-CE1 3.79Å; Y353-F450 AromaticContact CE1-CD1 3.84Å; Y353-F450 HydrophobicContact CE1-CD1 3.84Å; Y353-F450 AromaticContact CE1-CE1 3.85Å; Y353-F450 HydrophobicContact CE1-CE1 3.85Å; S354-F450 WeakPolarHBondContact CA-O 2.96Å; S354-F450 VanDerWaalsContact CB-O 3.28Å; S354-F450 WeakPolarHBondContact CB-O 3.44Å; T355-F450 HydrophobicContact CG2-CD1 4.48Å; T355-F450 PolarHBondContact N-O 2.89Å; T355-F450 VanDerWaalsContact N-O 3.12Å; T355-F450 PolarHBondContact O-N 3.26Å; T355-F450 WeakPolarHBondContact OG1-CB 3.47Å; N363-F450 HydrophobicContact CB-CB 4.35Å; N363-F450 HydrophobicContact CB-CD1 3.8Å; N363-F450 HydrophobicContact CB-CD2 3.79Å; N363-F450 HydrophobicContact CB-CE1 3.91Å; N363-F450 HydrophobicContact CB-CE2 3.88Å; N363-F450 HydrophobicContact CB-CG 3.73Å; N363-F450 HydrophobicContact CB-CZ 3.94Å; N363-F450 VanDerWaalsContact CG-CG 3.47Å; N363-F450 WeakPolarHBondContact OD1-CB 3.41Å; Q364-F450 HydrophobicContact CG-CE2 4.44Å; I367-F450 HydrophobicContact CD1-CE1 4.49Å; I367-F450 HydrophobicContact CG1-CE1 3.96Å; I367-F450 HydrophobicContact CG1-CZ 4.13Å; I406-F450 HydrophobicContact CB-CE2 4.41Å; I406-F450 HydrophobicContact CG1-CD2 4.26Å; I406-F450 HydrophobicContact CG1-CE2 3.89Å; I406-F450 HydrophobicContact CG2-CE2 4.19Å; L436-F450 CarbonylContact O-C 3.56Å; L436-F450 WeakPolarHBondContact O-CA 3.31Å; L437-F450 HydrophobicContact CD1-CB 3.97Å; L437-F450 HydrophobicContact CD1-CD2 4.5Å; F450-V452 HydrophobicContact CE1-CB 4.36Å; F450-V452 HydrophobicContact CE1-CG2 3.59Å; F450-V452 HydrophobicContact CE2-CG2 4.16Å; F450-V452 HydrophobicContact CZ-CG2 3.34Å
451I98Very high93.5Very high0 Ų024.7 Ų24.70%014%0.138CC..EExtended strand (participates in β ladder)trans-140.7129.3-177.3-53.5170.3000109.4I196 A200 V352 Y353 L385 G435 L436 I438 T449I196-I451 HydrophobicContact CB-CD1 4.39Å; I196-I451 HydrophobicContact CG2-CD1 3.76Å; A200-I451 HydrophobicContact CB-CG2 3.67Å; V352-I451 HydrophobicContact CG1-CG2 3.78Å; Y353-I451 WeakPolarHBondContact O-CA 3.4Å; L385-I451 HydrophobicContact CD1-CG2 4.29Å; G435-I451 CarbonylContact C-O 3.58Å; G435-I451 WeakPolarHBondContact CA-O 3.47Å; L436-I451 HydrophobicContact CB-CB 4.47Å; L436-I451 PolarHBondContact N-O 2.97Å; L436-I451 PolarHBondContact O-N 3.36Å; I438-I451 HydrophobicContact CD1-CD1 3.6Å; I438-I451 HydrophobicContact CD1-CG1 4.29Å; T449-I451 HydrophobicContact CG2-CD1 4.19Å; T449-I451 HydrophobicContact CG2-CG1 3.85Å
452V97.1Very high93.7Very high0 Ų025.2 Ų25.20%014%0.139CC..EExtended strand (participates in β ladder)trans-134.6142.9166.4170.30000108.9V352 Y353 I367 L382 F450 F454V352-V452 CarbonylContact C-O 3.06Å; V352-V452 WeakPolarHBondContact CA-O 3.44Å; Y353-V452 PolarHBondContact N-O 2.89Å; Y353-V452 PolarHBondContact O-N 3.08Å; I367-V452 HydrophobicContact CD1-CB 4.04Å; I367-V452 HydrophobicContact CD1-CG1 4.12Å; I367-V452 HydrophobicContact CD1-CG2 4.36Å; I367-V452 HydrophobicContact CG1-CB 4.32Å; I367-V452 HydrophobicContact CG1-CG1 4.45Å; I367-V452 HydrophobicContact CG1-CG2 4.09Å; I367-V452 HydrophobicContact CG2-CG1 4.29Å; L382-V452 HydrophobicContact CD2-CG1 3.73Å; F450-V452 HydrophobicContact CE1-CB 4.36Å; F450-V452 HydrophobicContact CE1-CG2 3.59Å; F450-V452 HydrophobicContact CE2-CG2 4.16Å; F450-V452 HydrophobicContact CZ-CG2 3.34Å; V452-F454 HydrophobicContact CB-CE2 4.45Å; V452-F454 HydrophobicContact CG1-CD2 4.21Å; V452-F454 HydrophobicContact CG1-CE2 3.62Å; V452-F454 HydrophobicContact CG1-CZ 3.97Å
453K97.6Very high94.2Very high0 Ų019.9 Ų19.90%011%0.112CC..EExtended strand (participates in β ladder)trans-119.9134.2-179-178.1178.8-173.9167.70111.7E154 A200 L201 Y350 V351 V352 I383 L385E154-K453 VanDerWaalsContact CD-NZ 3.34Å; E154-K453 IonicContact OE1-NZ 2.66Å; E154-K453 PolarHBondContact OE1-NZ 3.07Å; E154-K453 IonicContact OE2-NZ 3.7Å; E154-K453 PolarHBondContact OE2-NZ 3.08Å; A200-K453 WeakPolarHBondContact O-CD 3.43Å; A200-K453 WeakPolarHBondContact O-CE 3.06Å; A200-K453 PolarHBondContact O-NZ 3.12Å; L201-K453 PolarHBondContact O-NZ 2.99Å; Y350-K453 HydrophobicContact CD1-CD 4.48Å; V351-K453 CarbonylContact O-C 3.34Å; V351-K453 WeakPolarHBondContact O-CA 3.06Å; V352-K453 HydrophobicContact CG2-CB 4.11Å; V352-K453 HydrophobicContact CG2-CD 4.34Å; V352-K453 HydrophobicContact CG2-CG 3.98Å; I383-K453 HydrophobicContact CB-CB 4.02Å; I383-K453 HydrophobicContact CB-CD 3.76Å; I383-K453 HydrophobicContact CB-CG 3.82Å; I383-K453 HydrophobicContact CG1-CB 4.46Å; I383-K453 HydrophobicContact CG1-CD 3.83Å; I383-K453 HydrophobicContact CG1-CG 3.77Å; I383-K453 HydrophobicContact CG2-CD 3.89Å; I383-K453 HydrophobicContact CG2-CG 4.49Å; I383-K453 PolarHBondContact N-O 2.75Å; L385-K453 HydrophobicContact CD2-CB 4.14Å; L385-K453 HydrophobicContact CD2-CD 4.42Å
454F97.2Very high94.7Very high0 Ų018.2 Ų18.20%010%0.099CC..EExtended strand (participates in β ladder)trans-115152.1173.9-59.9-98.5000110.2L338 M342 Y350 V351 I367 F370 F380 A381 L382 V452L338-F454 HydrophobicContact CD1-CD2 4.4Å; L338-F454 HydrophobicContact CD1-CE2 4.1Å; L338-F454 HydrophobicContact CD2-CE2 4.24Å; L338-F454 HydrophobicContact CD2-CZ 4.28Å; M342-F454 HydrophobicContact CE-CB 4.03Å; M342-F454 HydrophobicContact CE-CG 4.48Å; M342-F454 HydrophobicContact SD-CB 3.76Å; M342-F454 HydrophobicContact SD-CG 4.12Å; Y350-F454 CarbonylContact C-O 3.58Å; Y350-F454 VanDerWaalsContact CA-O 3.26Å; Y350-F454 WeakPolarHBondContact CA-O 3.41Å; V351-F454 HydrophobicContact CB-CB 4.39Å; V351-F454 PolarHBondContact N-O 2.78Å; V351-F454 PolarHBondContact O-N 3.2Å; I367-F454 HydrophobicContact CD1-CE2 3.91Å; I367-F454 HydrophobicContact CD1-CZ 3.89Å; I367-F454 HydrophobicContact CG2-CZ 3.99Å; F370-F454 AromaticContact CD1-CE1 3.98Å; F370-F454 HydrophobicContact CD1-CE1 3.98Å; F370-F454 HydrophobicContact CD1-CZ 4.12Å; F370-F454 HydrophobicContact CE1-CE1 4.14Å; F380-F454 AromaticContact CD2-CD1 3.82Å; F380-F454 HydrophobicContact CD2-CD1 3.82Å; F380-F454 HydrophobicContact CD2-CE1 4.25Å; F380-F454 HydrophobicContact CE2-CD1 4.21Å; F380-F454 HydrophobicContact CE2-CE1 4.16Å; F380-F454 HydrophobicContact CG-CD1 4.47Å; A381-F454 CarbonylContact O-C 3.55Å; A381-F454 VanDerWaalsContact O-CA 3.3Å; A381-F454 WeakPolarHBondContact O-CA 3.35Å; L382-F454 HydrophobicContact CD2-CD1 3.51Å; L382-F454 HydrophobicContact CD2-CD2 4.46Å; L382-F454 HydrophobicContact CD2-CE1 3.34Å; L382-F454 HydrophobicContact CD2-CE2 4.33Å; L382-F454 HydrophobicContact CD2-CG 4.09Å; L382-F454 HydrophobicContact CD2-CZ 3.8Å; L382-F454 HydrophobicContact CG-CD1 4.48Å; L382-F454 HydrophobicContact CG-CE1 4.37Å; V452-F454 HydrophobicContact CB-CE2 4.45Å; V452-F454 HydrophobicContact CG1-CD2 4.21Å; V452-F454 HydrophobicContact CG1-CE2 3.62Å; V452-F454 HydrophobicContact CG1-CZ 3.97Å
455K96.6Very high95.2Very high43 Ų4319.4 Ų19.419%0.18711%0.106CC..EExtended strand (participates in β ladder)trans-113.5127.2162-178.5178.5-176.1174.50108.3L152 G349 Y350 F380 A381 I383 L457L152-K455 HydrophobicContact CD1-CD 3.84Å; G349-K455 CarbonylContact O-C 3.59Å; G349-K455 WeakPolarHBondContact O-CA 3.29Å; Y350-K455 HydrophobicContact CD1-CB 3.83Å; Y350-K455 HydrophobicContact CD1-CG 4.13Å; Y350-K455 HydrophobicContact CE1-CB 3.72Å; Y350-K455 HydrophobicContact CE1-CD 3.8Å; Y350-K455 HydrophobicContact CE1-CG 3.74Å; F380-K455 CarbonylContact C-O 3.5Å; F380-K455 VanDerWaalsContact CA-O 3.24Å; F380-K455 WeakPolarHBondContact CA-O 3.22Å; F380-K455 WeakPolarHBondContact CB-O 3.26Å; A381-K455 PolarHBondContact N-O 3.45Å; A381-K455 PolarHBondContact O-N 2.64Å; I383-K455 HydrophobicContact CD1-CB 3.88Å; I383-K455 HydrophobicContact CG1-CB 4.34Å; K455-L457 HydrophobicContact CD-CD2 4.32Å; K455-L457 HydrophobicContact CG-CD2 4.45Å; K455-L457 PolarHBondContact O-N 3.44Å
456R95.3Very high95.4Very high61 Ų6120.4 Ų20.423%0.2311%0.111CC..EExtended strand (participates in β ladder)trans-74.8123.5169.2-171180179.6163.33.2108M342 E343 C345 N348 G349M342-R456 WeakPolarHBondContact O-CD 3.39Å; M342-R456 PolarHBondContact O-NH1 3.32Å; M342-R456 VanDerWaalsContact O-NH1 3.07Å; E343-R456 VanDerWaalsContact C-NH1 3.3Å; E343-R456 PolarHBondContact O-NH1 3.41Å; C345-R456 HydrophobicContact CB-CB 4.42Å; C345-R456 WeakPolarHBondContact O-CD 3.5Å; C345-R456 PolarHBondContact O-NE 3.35Å; C345-R456 PolarHBondContact O-NH1 3.16Å; N348-R456 WeakPolarHBondContact CA-O 3.47Å; N348-R456 PolarHBondContact N-O 3.09Å; G349-R456 PolarHBondContact O-N 3.09Å
457L93.5Very high95.5Very high19 Ų1921.8 Ų21.810%0.09912%0.119CC..  trans-86.2158.5175.8-63.9-179.8000109.5K150 L152 N379 A381 K455K150-L457 HydrophobicContact CD-CD1 4.08Å; L152-L457 HydrophobicContact CD1-CD2 4.36Å; N379-L457 HydrophobicContact CB-CB 4.08Å; N379-L457 VanDerWaalsContact CG-CB 3.48Å; N379-L457 WeakPolarHBondContact ND2-CB 3.39Å; N379-L457 PolarHBondContact O-N 2.7Å; N379-L457 WeakPolarHBondContact OD1-CD1 3.49Å; A381-L457 HydrophobicContact CB-CD1 4.17Å; A381-L457 HydrophobicContact CB-CD2 4.34Å; A381-L457 HydrophobicContact CB-CG 4.34Å; K455-L457 HydrophobicContact CD-CD2 4.32Å; K455-L457 HydrophobicContact CG-CD2 4.45Å; K455-L457 PolarHBondContact O-N 3.44Å
458P88.9Confident95.7Very high129 Ų12923.5 Ų23.584%0.83813%0.127SC*.  trans-57.90176.324.7-34.4000113.9N379N379-P458 PolarHBondContact ND2-O 2.99Å

Retrieved 458 of 458 residues in 105 ms (Link to these results)

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