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Triosephosphate isomerase

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

AlphaFold DB (A0A4W5LEK4), UniProt , Accession A0A060VUA9, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110489325, Length 247 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
1M51.6Low92.7Very high240 Ų24049.8 Ų49.8100%1.18226%0.255SS*.  0132.60-75.1-175.3-96.800107.6
2S83.6Confident93.2Very high118 Ų11849.1 Ų49.183%0.82525%0.249SC*.PPolyproline II helixtrans-70.1147.8175.348.20000110.2K4S2-K4 PolarHBondContact O-N 3.19Å
3R96.5Very high93.6Very high65 Ų6559.4 Ų59.425%0.24530%0.299CS..PPolyproline II helixtrans-68.5129.6175.4-66.5171.4-65.1-852.5108.7F5 R188 N201 V203 R204 D226R3-F5 PolarHBondContact O-N 3.49Å; R3-R188 VanDerWaalsContact CZ-CZ 3.49Å; R3-N201 WeakPolarHBondContact CD-O 3.22Å; R3-N201 VanDerWaalsContact CG-O 3.28Å; R3-N201 WeakPolarHBondContact CG-O 3.48Å; R3-N201 PolarHBondContact NH1-O 2.85Å; R3-N201 VanDerWaalsContact NH1-O 3.09Å; R3-V203 WeakPolarHBondContact CD-O 3.46Å; R3-R204 HydrophobicContact CB-CG 4.33Å; R3-D226 WeakPolarHBondContact CD-OD2 3.46Å; R3-D226 IonicContact CZ-OD1 4Å; R3-D226 IonicContact NE-OD1 3.31Å; R3-D226 PolarHBondContact NE-OD1 3.08Å; R3-D226 IonicContact NE-OD2 3.47Å; R3-D226 PolarHBondContact NE-OD2 2.71Å; R3-D226 VanDerWaalsContact NE-OD2 3.12Å; R3-D226 IonicContact NH2-OD1 2.71Å; R3-D226 PolarHBondContact NH2-OD1 3.42Å
4K97.1Very high94Very high103 Ų10360.6 Ų60.645%0.44831%0.307SS..PPolyproline II helixtrans-63.7133.9177-167.3176.2-178-179.80109.2S2 P34 N35 E37S2-K4 PolarHBondContact O-N 3.19Å; K4-P34 PolarHBondContact NZ-O 3.15Å; K4-N35 VanDerWaalsContact CE-C 3.43Å; K4-N35 WeakPolarHBondContact CE-O 3.32Å; K4-N35 WeakPolarHBondContact CG-O 3.49Å; K4-E37 HydrophobicContact CD-CB 4.2Å
5F98.5Very high94.2Very high14 Ų1459.1 Ų59.16%0.06131%0.313CS..EExtended strand (participates in β ladder)trans-64.8137.6179-159.5-114000109.8R3 V7 T36 E37 D226 G227 F228 A245 K246R3-F5 PolarHBondContact O-N 3.49Å; F5-V7 HydrophobicContact CD1-CG2 3.96Å; F5-V7 HydrophobicContact CE1-CG2 3.75Å; F5-T36 HydrophobicContact CD1-CG2 4.07Å; F5-T36 CarbonylContact O-C 3.56Å; F5-T36 WeakPolarHBondContact O-CA 3.41Å; F5-E37 PolarHBondContact O-N 2.8Å; F5-D226 WeakPolarHBondContact CA-O 3.2Å; F5-D226 WeakPolarHBondContact CD2-O 3.38Å; F5-G227 VanDerWaalsContact CE2-CA 3.45Å; F5-F228 HydrophobicContact CE1-CD2 4.2Å; F5-F228 AromaticContact CE1-CE2 3.96Å; F5-F228 HydrophobicContact CE1-CE2 3.96Å; F5-F228 HydrophobicContact CZ-CD2 4.05Å; F5-F228 AromaticContact CZ-CE2 3.54Å; F5-F228 HydrophobicContact CZ-CE2 3.54Å; F5-F228 HydrophobicContact CZ-CZ 4.02Å; F5-A245 HydrophobicContact CE1-CB 4.22Å; F5-A245 HydrophobicContact CZ-CB 4.4Å; F5-K246 HydrophobicContact CD1-CG 4.04Å; F5-K246 HydrophobicContact CD2-CD 4.45Å; F5-K246 HydrophobicContact CD2-CG 3.9Å; F5-K246 HydrophobicContact CE1-CG 4.13Å; F5-K246 HydrophobicContact CE2-CD 4.35Å; F5-K246 VanDerWaalsContact CE2-CE 3.46Å; F5-K246 HydrophobicContact CE2-CG 3.98Å; F5-K246 HydrophobicContact CG-CG 3.93Å; F5-K246 HydrophobicContact CZ-CG 4.08Å
6F98.8Very high94.5Very high0 Ų060.4 Ų60.40%032%0.32CS..EExtended strand (participates in β ladder)trans-126.5124.2-173.5-176.4-79.7000111.7E37 V39 W89 I123 V160 I206 D226 G227 F228F6-E37 CarbonylContact C-O 3.56Å; F6-E37 WeakPolarHBondContact CA-O 3.25Å; F6-E37 HydrophobicContact CD2-CB 4.02Å; F6-E37 HydrophobicContact CD2-CG 3.9Å; F6-E37 HydrophobicContact CE2-CG 4.09Å; F6-V39 HydrophobicContact CE2-CB 4.46Å; F6-V39 HydrophobicContact CE2-CG2 3.61Å; F6-V39 HydrophobicContact CZ-CB 3.87Å; F6-V39 HydrophobicContact CZ-CG2 3.5Å; F6-V39 VanDerWaalsContact CZ-CG2 3.5Å; F6-W89 HydrophobicContact CE2-CH2 4.07Å; F6-W89 HydrophobicContact CE2-CZ2 4.07Å; F6-W89 HydrophobicContact CE2-CZ3 4.48Å; F6-I123 HydrophobicContact CE1-CD1 3.9Å; F6-I123 HydrophobicContact CE1-CG1 4.2Å; F6-I123 HydrophobicContact CZ-CD1 3.79Å; F6-I123 HydrophobicContact CZ-CG1 4.01Å; F6-V160 HydrophobicContact CD1-CG1 4.2Å; F6-V160 HydrophobicContact CD2-CG2 4.06Å; F6-V160 HydrophobicContact CE1-CG1 4.38Å; F6-V160 HydrophobicContact CE1-CG2 4.45Å; F6-V160 HydrophobicContact CE2-CG2 3.97Å; F6-V160 HydrophobicContact CG-CG2 4.33Å; F6-V160 HydrophobicContact CZ-CG2 4.17Å; F6-I206 HydrophobicContact CB-CG2 4.03Å; F6-I206 HydrophobicContact CD1-CD1 3.85Å; F6-I206 HydrophobicContact CD1-CG2 4.05Å; F6-I206 HydrophobicContact CE1-CD1 4.03Å; F6-I206 HydrophobicContact CG-CG2 4.43Å; F6-D226 PolarHBondContact N-O 3.2Å; F6-G227 CarbonylContact O-C 3.56Å; F6-G227 WeakPolarHBondContact O-CA 3.45Å; F6-F228 PolarHBondContact O-N 3.33Å
7V98.9Very high94.8Very high0 Ų064.9 Ų64.90%034%0.336CS..EExtended strand (participates in β ladder)trans-123.5108.6177.4-179.30000110.3F5 T36 E37 V38 V39 F228 V230 F239 I242 I243F5-V7 HydrophobicContact CD1-CG2 3.96Å; F5-V7 HydrophobicContact CE1-CG2 3.75Å; V7-T36 HydrophobicContact CB-CG2 4.13Å; V7-T36 HydrophobicContact CG2-CG2 3.81Å; V7-E37 PolarHBondContact N-O 2.93Å; V7-V38 WeakPolarHBondContact O-CA 3.23Å; V7-V39 PolarHBondContact O-N 3.03Å; V7-F228 WeakPolarHBondContact CA-O 3.24Å; V7-F228 HydrophobicContact CG2-CD2 4.15Å; V7-V230 HydrophobicContact CG1-CG2 4.28Å; V7-F239 HydrophobicContact CG1-CD2 4.42Å; V7-F239 HydrophobicContact CG1-CE2 3.48Å; V7-F239 VanDerWaalsContact CG1-CE2 3.48Å; V7-F239 HydrophobicContact CG1-CZ 3.86Å; V7-I242 HydrophobicContact CG1-CG2 4.2Å; V7-I243 HydrophobicContact CB-CG1 4.19Å; V7-I243 HydrophobicContact CG1-CG1 3.88Å
8G98.8Very high95Very high1 Ų165.4 Ų65.41%0.0135%0.351CS..EExtended strand (participates in β ladder)trans-92.4132.4172.300000111.3V39 F228 V230G8-V39 CarbonylContact C-O 3.57Å; G8-V39 VanDerWaalsContact CA-O 3.23Å; G8-V39 WeakPolarHBondContact CA-O 3.34Å; G8-F228 PolarHBondContact N-O 2.85Å; G8-V230 PolarHBondContact O-N 3.48Å
9G98.6Very high95.1Very high0 Ų064.8 Ų64.80%035%0.353CS..EExtended strand (participates in β ladder)trans-107.1104.9169.600000110.5W11 V39 C40 G41 V230G9-W11 PolarHBondContact O-N 3.35Å; G9-V39 PolarHBondContact N-O 2.82Å; G9-C40 CarbonylContact O-C 3.53Å; G9-G41 PolarHBondContact O-N 3Å; G9-V230 CarbonylContact C-O 3.53Å; G9-V230 WeakPolarHBondContact CA-O 3.31Å
10N98.7Very high95.3Very high7 Ų761.8 Ų61.84%0.03734%0.336CS..EExtended strand (participates in β ladder)trans-89102.1176-1779.2000110K12 I91 H94 L229 V230N10-K12 PolarHBondContact O-N 3.19Å; N10-K12 PolarHBondContact OD1-N 3.36Å; N10-K12 VanDerWaalsContact OD1-N 3.1Å; N10-I91 HydrophobicContact CB-CD1 4Å; N10-H94 PolarHBondContact ND2-NE2 2.87Å; N10-L229 HydrophobicContact CB-CD1 4.2Å; N10-V230 PolarHBondContact N-O 3.43Å
11W98.6Very high95.5Very high0 Ų059.5 Ų59.50%033%0.327CS..  trans-71.3-12.9-179.6-59.6-15.7000113.2G9 N14 L20 L23 I24 C40 G41 A42 A50 L54 L235G9-W11 PolarHBondContact O-N 3.35Å; W11-N14 WeakPolarHBondContact O-CB 3.35Å; W11-N14 PolarHBondContact O-N 3.36Å; W11-N14 PolarHBondContact O-ND2 3.34Å; W11-L20 HydrophobicContact CD2-CD2 4.15Å; W11-L20 HydrophobicContact CE3-CD1 4.3Å; W11-L20 HydrophobicContact CE3-CD2 3.57Å; W11-L20 HydrophobicContact CH2-CD2 4.48Å; W11-L20 HydrophobicContact CZ3-CD1 4.22Å; W11-L20 HydrophobicContact CZ3-CD2 3.76Å; W11-L20 HydrophobicContact CZ3-CG 4.43Å; W11-L23 HydrophobicContact CD2-CD2 4.27Å; W11-L23 HydrophobicContact CH2-CD2 4.42Å; W11-L23 HydrophobicContact CZ2-CD2 3.7Å; W11-L23 HydrophobicContact CZ2-CG 4.39Å; W11-I24 HydrophobicContact CH2-CD1 4.3Å; W11-I24 HydrophobicContact CH2-CG1 4.08Å; W11-C40 HydrophobicContact CH2-CB 4.18Å; W11-C40 HydrophobicContact CZ2-CB 3.65Å; W11-G41 WeakPolarHBondContact CB-O 3.32Å; W11-G41 PolarHBondContact N-O 3.28Å; W11-A42 HydrophobicContact CE3-CB 3.62Å; W11-A42 HydrophobicContact CZ3-CB 3.66Å; W11-A50 HydrophobicContact CH2-CB 4.44Å; W11-A50 HydrophobicContact CZ3-CB 4.23Å; W11-L54 HydrophobicContact CH2-CD1 4.49Å; W11-L235 HydrophobicContact CB-CD2 3.87Å; W11-L235 HydrophobicContact CG-CD2 3.82Å
12K98.5Very high97.7Very high41 Ų4153.5 Ų53.518%0.17830%0.296CS..  trans51.1-147.1-175.7-54.8-178.7176.3-166.10110.8N10 N14 P43 Q63 E96N10-K12 PolarHBondContact O-N 3.19Å; N10-K12 PolarHBondContact OD1-N 3.36Å; N10-K12 VanDerWaalsContact OD1-N 3.1Å; K12-N14 PolarHBondContact O-N 3Å; K12-P43 WeakPolarHBondContact O-CG 3.34Å; K12-Q63 PolarHBondContact O-NE2 3.25Å; K12-Q63 PolarHBondContact O-OE1 3.48Å; K12-E96 WeakPolarHBondContact CD-OE1 3.34Å; K12-E96 VanDerWaalsContact CE-OE1 3.24Å; K12-E96 WeakPolarHBondContact CE-OE1 3.49Å; K12-E96 IonicContact NZ-OE1 2.67Å; K12-E96 PolarHBondContact NZ-OE1 3.35Å
13M98.5Very high98.4Very high183 Ų18348.8 Ų48.890%0.90126%0.261SS*.SBendtrans-83.356.3176.7-163.2176.674.800112
14N98.8Very high98.5Very high77 Ų7745.8 Ų45.841%0.41225%0.25SS..  trans-128.4152179-62.5-86.5000112.6W11 K12 P43 L235W11-N14 WeakPolarHBondContact O-CB 3.35Å; W11-N14 PolarHBondContact O-N 3.36Å; W11-N14 PolarHBondContact O-ND2 3.34Å; K12-N14 PolarHBondContact O-N 3Å; N14-P43 WeakPolarHBondContact O-CG 3.38Å; N14-L235 HydrophobicContact CB-CD1 3.68Å; N14-L235 HydrophobicContact CB-CD2 4.4Å
15G98.1Very high98.6Very high38 Ų3846.8 Ų46.839%0.39226%0.255SS..  trans100161.8169.100000114.9Y46G15-Y46 WeakPolarHBondContact O-CE2 3.41Å
16D98.6Very high98.5Very high80 Ų8049 Ų4943%0.42827%0.27SS..  trans-135.3176.6170.258.734.7000109A18 S19 L20D16-A18 PolarHBondContact O-N 3.44Å; D16-A18 VanDerWaalsContact O-N 3.15Å; D16-A18 PolarHBondContact OD1-N 3.09Å; D16-A18 VanDerWaalsContact OD1-N 3.07Å; D16-S19 PolarHBondContact N-OG 3Å; D16-S19 PolarHBondContact O-N 3.11Å; D16-S19 PolarHBondContact O-OG 3.24Å; D16-S19 WeakPolarHBondContact OD1-CB 3.32Å; D16-S19 PolarHBondContact OD1-N 3.48Å; D16-S19 PolarHBondContact OD1-OG 3.02Å; D16-L20 VanDerWaalsContact O-CB 3.23Å; D16-L20 WeakPolarHBondContact O-CB 3.28Å; D16-L20 VanDerWaalsContact O-CG 3.26Å; D16-L20 WeakPolarHBondContact O-CG 3.12Å; D16-L20 PolarHBondContact O-N 2.83Å
17K98.6Very high98.5Very high137 Ų13749.1 Ų49.160%0.59627%0.27SS*.Hα-helixtrans-58.4-30.5-177.8-74.8-173.7176178.80113.7G21 Y46 F49K17-G21 PolarHBondContact O-N 2.79Å; K17-G21 VanDerWaalsContact O-N 3.1Å; K17-Y46 HydrophobicContact CG-CD1 4.34Å; K17-Y46 HydrophobicContact CG-CE1 4.03Å; K17-F49 HydrophobicContact CB-CE2 4.27Å; K17-F49 HydrophobicContact CB-CZ 4.18Å; K17-F49 HydrophobicContact CD-CD2 4.45Å; K17-F49 HydrophobicContact CD-CE2 4.38Å; K17-F49 HydrophobicContact CG-CD2 4.3Å; K17-F49 HydrophobicContact CG-CE2 4.12Å; K17-F49 HydrophobicContact CG-CZ 4.35Å; K17-F49 WeakPolarHBondContact O-CZ 3.4Å
18A98.5Very high98.5Very high73 Ų7351.7 Ų51.760%0.60328%0.284SS*.Hα-helixtrans-76.2-56.9-178.400000110.5D16 L20 G21 E22D16-A18 PolarHBondContact O-N 3.44Å; D16-A18 VanDerWaalsContact O-N 3.15Å; D16-A18 PolarHBondContact OD1-N 3.09Å; D16-A18 VanDerWaalsContact OD1-N 3.07Å; A18-L20 PolarHBondContact O-N 2.86Å; A18-G21 WeakPolarHBondContact O-CA 3.41Å; A18-G21 PolarHBondContact O-N 3.13Å; A18-G21 VanDerWaalsContact O-N 3.1Å; A18-E22 PolarHBondContact O-N 3.31Å
19S98.3Very high98.5Very high55 Ų5556.3 Ų56.339%0.38532%0.316SS..Hα-helixtrans-61-43179.253.40000112.8D16 G21 E22 L23D16-S19 PolarHBondContact N-OG 3Å; D16-S19 PolarHBondContact O-N 3.11Å; D16-S19 PolarHBondContact O-OG 3.24Å; D16-S19 WeakPolarHBondContact OD1-CB 3.32Å; D16-S19 PolarHBondContact OD1-N 3.48Å; D16-S19 PolarHBondContact OD1-OG 3.02Å; S19-G21 VanDerWaalsContact C-N 3.32Å; S19-E22 PolarHBondContact O-N 3.12Å; S19-L23 PolarHBondContact O-N 2.74Å
20L98.6Very high98.4Very high3 Ų357.3 Ų57.32%0.01632%0.324CS..Hα-helixtrans-69.1-32.4174.8-63.8-179.6000111.8W11 D16 A18 L23 I24 Y46 F49W11-L20 HydrophobicContact CD2-CD2 4.15Å; W11-L20 HydrophobicContact CE3-CD1 4.3Å; W11-L20 HydrophobicContact CE3-CD2 3.57Å; W11-L20 HydrophobicContact CH2-CD2 4.48Å; W11-L20 HydrophobicContact CZ3-CD1 4.22Å; W11-L20 HydrophobicContact CZ3-CD2 3.76Å; W11-L20 HydrophobicContact CZ3-CG 4.43Å; D16-L20 VanDerWaalsContact O-CB 3.23Å; D16-L20 WeakPolarHBondContact O-CB 3.28Å; D16-L20 VanDerWaalsContact O-CG 3.26Å; D16-L20 WeakPolarHBondContact O-CG 3.12Å; D16-L20 PolarHBondContact O-N 2.83Å; A18-L20 PolarHBondContact O-N 2.86Å; L20-L23 HydrophobicContact CD2-CD2 4.37Å; L20-L23 PolarHBondContact O-N 2.57Å; L20-I24 WeakPolarHBondContact O-CB 3.44Å; L20-I24 WeakPolarHBondContact O-CD1 3.47Å; L20-I24 WeakPolarHBondContact O-CG1 3.48Å; L20-I24 PolarHBondContact O-N 2.96Å; L20-Y46 HydrophobicContact CD1-CD2 3.56Å; L20-Y46 HydrophobicContact CD1-CE2 4.19Å; L20-Y46 HydrophobicContact CD1-CG 3.83Å; L20-F49 HydrophobicContact CB-CE1 4.1Å
21G98.6Very high98.3Very high14 Ų1465.4 Ų65.414%0.14436%0.359CS..Hα-helixtrans-60.4-45.6173.800000112.4K17 A18 S19 I24 K25K17-G21 PolarHBondContact O-N 2.79Å; K17-G21 VanDerWaalsContact O-N 3.1Å; A18-G21 WeakPolarHBondContact O-CA 3.41Å; A18-G21 PolarHBondContact O-N 3.13Å; A18-G21 VanDerWaalsContact O-N 3.1Å; S19-G21 VanDerWaalsContact C-N 3.32Å; G21-I24 PolarHBondContact O-N 2.73Å; G21-K25 WeakPolarHBondContact O-CB 3.33Å; G21-K25 PolarHBondContact O-N 3.01Å
22E98.4Very high98.3Very high115 Ų11566.5 Ų66.554%0.53737%0.365SS..Hα-helixtrans-67.6-39.9176.4-69.1-54.6136.100112.4A18 S19 K25 T26A18-E22 PolarHBondContact O-N 3.31Å; S19-E22 PolarHBondContact O-N 3.12Å; E22-K25 PolarHBondContact O-N 2.85Å; E22-T26 PolarHBondContact O-N 2.96Å; E22-T26 PolarHBondContact O-OG1 2.89Å
23L98.4Very high98.2Very high18 Ų1865.1 Ų65.19%0.09436%0.359CS..Hα-helixtrans-59.5-48.2173.6179.260.9000111.4W11 S19 L20 K25 T26 L27 L235W11-L23 HydrophobicContact CD2-CD2 4.27Å; W11-L23 HydrophobicContact CH2-CD2 4.42Å; W11-L23 HydrophobicContact CZ2-CD2 3.7Å; W11-L23 HydrophobicContact CZ2-CG 4.39Å; S19-L23 PolarHBondContact O-N 2.74Å; L20-L23 HydrophobicContact CD2-CD2 4.37Å; L20-L23 PolarHBondContact O-N 2.57Å; L23-K25 PolarHBondContact O-N 3.13Å; L23-T26 WeakPolarHBondContact O-CB 3.1Å; L23-T26 PolarHBondContact O-N 3.01Å; L23-L27 HydrophobicContact CG-CD1 4.44Å; L23-L27 WeakPolarHBondContact O-CG 3.34Å; L23-L27 PolarHBondContact O-N 2.76Å; L23-L235 HydrophobicContact CD2-CD2 4.12Å
24I98.6Very high98.1Very high3 Ų361.4 Ų61.42%0.01535%0.349CS..Hα-helixtrans-63.7-42.3179.2-69.9166.8000111.1W11 L20 G21 T26 L27 N28 F49 A50 K53 L54W11-I24 HydrophobicContact CH2-CD1 4.3Å; W11-I24 HydrophobicContact CH2-CG1 4.08Å; L20-I24 WeakPolarHBondContact O-CB 3.44Å; L20-I24 WeakPolarHBondContact O-CD1 3.47Å; L20-I24 WeakPolarHBondContact O-CG1 3.48Å; L20-I24 PolarHBondContact O-N 2.96Å; G21-I24 PolarHBondContact O-N 2.73Å; I24-T26 VanDerWaalsContact C-N 3.28Å; I24-T26 PolarHBondContact O-N 2.76Å; I24-L27 PolarHBondContact O-N 3.18Å; I24-N28 WeakPolarHBondContact O-CB 2.93Å; I24-N28 PolarHBondContact O-N 3.1Å; I24-F49 HydrophobicContact CD1-CD1 4.42Å; I24-F49 HydrophobicContact CD1-CE1 4.08Å; I24-A50 HydrophobicContact CD1-CB 4.34Å; I24-K53 HydrophobicContact CD1-CB 4.17Å; I24-K53 HydrophobicContact CG2-CB 3.79Å; I24-K53 WeakPolarHBondContact CG2-O 3.36Å; I24-L54 HydrophobicContact CB-CD2 4.32Å; I24-L54 HydrophobicContact CB-CG 4.5Å; I24-L54 HydrophobicContact CD1-CG 4.32Å; I24-L54 HydrophobicContact CG1-CD2 4.02Å; I24-L54 HydrophobicContact CG1-CG 3.93Å; I24-L54 HydrophobicContact CG2-CD2 3.89Å; I24-L54 HydrophobicContact CG2-CG 3.92Å
25K98.4Very high98Very high124 Ų12463.1 Ų63.154%0.53936%0.358SS..Hα-helixtrans-58.9-42175.9-178.2-177.1174.2-170.30111.6G21 E22 L23 S29G21-K25 WeakPolarHBondContact O-CB 3.33Å; G21-K25 PolarHBondContact O-N 3.01Å; E22-K25 PolarHBondContact O-N 2.85Å; L23-K25 PolarHBondContact O-N 3.13Å; K25-S29 WeakPolarHBondContact O-CB 3.46Å; K25-S29 PolarHBondContact O-N 2.99Å; K25-S29 VanDerWaalsContact O-N 3.12Å; K25-S29 PolarHBondContact O-OG 3.38Å
26T97.9Very high98Very high61 Ų6161.8 Ų61.837%0.37434%0.342SS..Hα-helixtrans-59.7-49.6174.3-57.30000110.9E22 L23 I24 N28 S29 A30E22-T26 PolarHBondContact O-N 2.96Å; E22-T26 PolarHBondContact O-OG1 2.89Å; L23-T26 WeakPolarHBondContact O-CB 3.1Å; L23-T26 PolarHBondContact O-N 3.01Å; I24-T26 VanDerWaalsContact C-N 3.28Å; I24-T26 PolarHBondContact O-N 2.76Å; T26-N28 PolarHBondContact O-N 2.71Å; T26-S29 PolarHBondContact O-N 3.48Å; T26-A30 WeakPolarHBondContact O-CB 3.46Å; T26-A30 PolarHBondContact O-N 3.4Å; T26-A30 VanDerWaalsContact O-N 3.09Å
27L98.3Very high98Very high2 Ų260.4 Ų60.41%0.0133%0.333CS..Hα-helixtrans-63.5-41.8179.8-68.4174.1000113.5L23 I24 S29 A30 L54 I58 F239 V240 I243L23-L27 HydrophobicContact CG-CD1 4.44Å; L23-L27 WeakPolarHBondContact O-CG 3.34Å; L23-L27 PolarHBondContact O-N 2.76Å; I24-L27 PolarHBondContact O-N 3.18Å; L27-S29 VanDerWaalsContact C-N 3.28Å; L27-S29 PolarHBondContact O-N 3.24Å; L27-A30 PolarHBondContact O-N 3.13Å; L27-L54 HydrophobicContact CB-CD2 4.35Å; L27-L54 HydrophobicContact CD1-CD2 4.14Å; L27-I58 HydrophobicContact CB-CD1 4.07Å; L27-F239 HydrophobicContact CD2-CD1 3.87Å; L27-F239 HydrophobicContact CD2-CE1 4.42Å; L27-V240 HydrophobicContact CD2-CG2 4.31Å; L27-I243 HydrophobicContact CD2-CD1 4.26Å
28N98.5Very high98Very high54 Ų5454.2 Ų54.229%0.28931%0.307SS..Hα-helixtrans-66.1-32.4178.6-72.4-5.1000112.4I24 T26 K53 D55I24-N28 WeakPolarHBondContact O-CB 2.93Å; I24-N28 PolarHBondContact O-N 3.1Å; T26-N28 PolarHBondContact O-N 2.71Å; N28-K53 PolarHBondContact ND2-O 2.9Å; N28-D55 PolarHBondContact OD1-N 3.39Å
29S98Very high98Very high98 Ų9850.8 Ų50.869%0.68528%0.278SS*.Hα-helixtrans-85.3-14.8-178.9-50.50000112.9K25 T26 L27K25-S29 WeakPolarHBondContact O-CB 3.46Å; K25-S29 PolarHBondContact O-N 2.99Å; K25-S29 VanDerWaalsContact O-N 3.12Å; K25-S29 PolarHBondContact O-OG 3.38Å; T26-S29 PolarHBondContact O-N 3.48Å; L27-S29 VanDerWaalsContact C-N 3.28Å; L27-S29 PolarHBondContact O-N 3.24Å
30A97.7Very high98.1Very high20 Ų2048.2 Ų48.217%0.16526%0.26CS..SBendtrans-75.9146.3-177.200000112.3T26 L27 L32 V240T26-A30 WeakPolarHBondContact O-CB 3.46Å; T26-A30 PolarHBondContact O-N 3.4Å; T26-A30 VanDerWaalsContact O-N 3.09Å; L27-A30 PolarHBondContact O-N 3.13Å; A30-L32 HydrophobicContact CB-CD2 3.74Å; A30-L32 HydrophobicContact CB-CG 4.48Å; A30-L32 PolarHBondContact O-N 2.91Å; A30-V240 HydrophobicContact CB-CB 4.47Å; A30-V240 HydrophobicContact CB-CG1 3.89Å; A30-V240 HydrophobicContact CB-CG2 3.66Å
31K97.2Very high98.1Very high178 Ų17848.1 Ų48.177%0.77426%0.26SS*.  trans-81.799.9167.7-173-179.8178.4-174.90108.8N244K31-N244 PolarHBondContact O-ND2 3.25Å
32L97.6Very high98.1Very high23 Ų2347.4 Ų47.412%0.1225%0.253CS..  trans-90.9142.5178-50.5-176.4000110.2A30 P34 V38 I58 V240 I243A30-L32 HydrophobicContact CB-CD2 3.74Å; A30-L32 HydrophobicContact CB-CG 4.48Å; A30-L32 PolarHBondContact O-N 2.91Å; L32-P34 WeakPolarHBondContact O-CD 3.29Å; L32-V38 HydrophobicContact CD1-CG2 4.43Å; L32-I58 HydrophobicContact CD1-CD1 3.86Å; L32-I58 HydrophobicContact CD1-CG1 4.04Å; L32-V240 HydrophobicContact CD2-CG1 4.29Å; L32-I243 HydrophobicContact CB-CG2 4.14Å; L32-I243 HydrophobicContact CD2-CD1 4.05Å; L32-I243 HydrophobicContact CD2-CG2 4.05Å
33D96.9Very high98.1Very high12 Ų1242.8 Ų42.86%0.06423%0.233CC..  trans-57.2119.4172.2-169.9-18.6000110.5N35 T36 N244 Q247D33-N35 PolarHBondContact O-N 3.36Å; D33-N35 VanDerWaalsContact O-N 3.13Å; D33-N35 WeakPolarHBondContact OD1-CB 3.48Å; D33-N35 PolarHBondContact OD1-N 2.87Å; D33-N35 PolarHBondContact OD1-ND2 2.85Å; D33-N35 VanDerWaalsContact OD1-ND2 3.08Å; D33-T36 PolarHBondContact O-N 3.1Å; D33-N244 PolarHBondContact N-OD1 2.92Å; D33-Q247 VanDerWaalsContact CA-NE2 3.34Å; D33-Q247 HydrophobicContact CB-CG 4.24Å; D33-Q247 VanDerWaalsContact CB-NE2 3.26Å; D33-Q247 WeakPolarHBondContact OD2-CG 3.14Å
34P96.1Very high98.1Very high104 Ų10445.6 Ų45.668%0.67525%0.254SS*.THydrogen-bonded Turntrans-62.5-19.517826.8-35.9000113.3K4 L32 T36K4-P34 PolarHBondContact NZ-O 3.15Å; L32-P34 WeakPolarHBondContact O-CD 3.29Å; P34-T36 VanDerWaalsContact C-N 3.31Å
35N96.6Very high98.2Very high113 Ų11351.9 Ų51.960%0.60429%0.286SS*.THydrogen-bonded Turntrans-84.2-3.9177.1-55.8-63.5000113.3K4 D33K4-N35 VanDerWaalsContact CE-C 3.43Å; K4-N35 WeakPolarHBondContact CE-O 3.32Å; K4-N35 WeakPolarHBondContact CG-O 3.49Å; D33-N35 PolarHBondContact O-N 3.36Å; D33-N35 VanDerWaalsContact O-N 3.13Å; D33-N35 WeakPolarHBondContact OD1-CB 3.48Å; D33-N35 PolarHBondContact OD1-N 2.87Å; D33-N35 PolarHBondContact OD1-ND2 2.85Å; D33-N35 VanDerWaalsContact OD1-ND2 3.08Å
36T98.4Very high98.2Very high10 Ų1048.1 Ų48.16%0.06127%0.269CS..EExtended strand (participates in β ladder)trans-99.6132.3174.3-58.80000110.5F5 V7 D33 P34 V38 I243F5-T36 HydrophobicContact CD1-CG2 4.07Å; F5-T36 CarbonylContact O-C 3.56Å; F5-T36 WeakPolarHBondContact O-CA 3.41Å; V7-T36 HydrophobicContact CB-CG2 4.13Å; V7-T36 HydrophobicContact CG2-CG2 3.81Å; D33-T36 PolarHBondContact O-N 3.1Å; P34-T36 VanDerWaalsContact C-N 3.31Å; T36-V38 HydrophobicContact CG2-CG2 4Å; T36-I243 HydrophobicContact CG2-CG2 4.04Å; T36-I243 PolarHBondContact OG1-O 2.83Å
37E98.7Very high98.2Very high52 Ų5245.7 Ų45.724%0.24325%0.253CS..EExtended strand (participates in β ladder)trans-87.7124.4165.2-175.3176.2-177.500109K4 F5 F6 V7 W89 R204K4-E37 HydrophobicContact CD-CB 4.2Å; F5-E37 PolarHBondContact O-N 2.8Å; F6-E37 CarbonylContact C-O 3.56Å; F6-E37 WeakPolarHBondContact CA-O 3.25Å; F6-E37 HydrophobicContact CD2-CB 4.02Å; F6-E37 HydrophobicContact CD2-CG 3.9Å; F6-E37 HydrophobicContact CE2-CG 4.09Å; V7-E37 PolarHBondContact N-O 2.93Å; E37-W89 WeakPolarHBondContact OE1-CZ2 3.38Å; E37-R204 IonicContact OE1-NH1 2.76Å; E37-R204 IonicContact OE2-CZ 3.12Å; E37-R204 IonicContact OE2-NH1 2.74Å; E37-R204 PolarHBondContact OE2-NH1 2.93Å
38V98.8Very high98.2Very high6 Ų652 Ų524%0.03628%0.283CS..EExtended strand (participates in β ladder)trans-114.9132-175-173.50000109.7V7 L32 T36 I58 G59 I243V7-V38 WeakPolarHBondContact O-CA 3.23Å; L32-V38 HydrophobicContact CD1-CG2 4.43Å; T36-V38 HydrophobicContact CG2-CG2 4Å; V38-I58 HydrophobicContact CB-CG2 4.32Å; V38-I58 HydrophobicContact CG1-CG2 3.99Å; V38-G59 PolarHBondContact O-N 3.19Å; V38-I243 HydrophobicContact CG1-CD1 3.74Å; V38-I243 HydrophobicContact CG1-CG1 4.17Å; V38-I243 HydrophobicContact CG2-CB 4.49Å; V38-I243 HydrophobicContact CG2-CD1 4.15Å; V38-I243 HydrophobicContact CG2-CG1 4.07Å; V38-I243 HydrophobicContact CG2-CG2 3.6Å
39V98.9Very high98.3Very high2 Ų251.1 Ų51.11%0.01228%0.277CS..EExtended strand (participates in β ladder)trans-134.6128.6179.1-179.40000110.7F6 V7 G8 G9 G59 A61 W89 I123F6-V39 HydrophobicContact CE2-CB 4.46Å; F6-V39 HydrophobicContact CE2-CG2 3.61Å; F6-V39 HydrophobicContact CZ-CB 3.87Å; F6-V39 HydrophobicContact CZ-CG2 3.5Å; F6-V39 VanDerWaalsContact CZ-CG2 3.5Å; V7-V39 PolarHBondContact O-N 3.03Å; G8-V39 CarbonylContact C-O 3.57Å; G8-V39 VanDerWaalsContact CA-O 3.23Å; G8-V39 WeakPolarHBondContact CA-O 3.34Å; G9-V39 PolarHBondContact N-O 2.82Å; V39-G59 CarbonylContact C-O 3.58Å; V39-G59 WeakPolarHBondContact CA-O 3.41Å; V39-A61 HydrophobicContact CG1-CB 3.66Å; V39-W89 HydrophobicContact CG1-CB 3.96Å; V39-W89 HydrophobicContact CG1-CG 3.95Å; V39-W89 HydrophobicContact CG2-CD2 4.42Å; V39-W89 HydrophobicContact CG2-CG 4.3Å; V39-I123 HydrophobicContact CG1-CD1 4.41Å
40C98.9Very high98.3Very high0 Ų046.5 Ų46.50%024%0.244CC..EExtended strand (participates in β ladder)trans-106.1116.6177.5-65.40000111.5G9 W11 A42 L54 G59 V60 A61G9-C40 CarbonylContact O-C 3.53Å; W11-C40 HydrophobicContact CH2-CB 4.18Å; W11-C40 HydrophobicContact CZ2-CB 3.65Å; C40-A42 PolarHBondContact O-N 3.27Å; C40-L54 HydrophobicContact CB-CD1 4.07Å; C40-G59 PolarHBondContact N-O 3.23Å; C40-V60 CarbonylContact O-C 3.6Å; C40-V60 WeakPolarHBondContact O-CA 3.39Å; C40-A61 PolarHBondContact O-N 3.37Å
41G98.8Very high98.3Very high1 Ų147.6 Ų47.61%0.0124%0.244CC..EExtended strand (participates in β ladder)trans-83.9101.917400000111.7G9 W11 A61 Q63G9-G41 PolarHBondContact O-N 3Å; W11-G41 WeakPolarHBondContact CB-O 3.32Å; W11-G41 PolarHBondContact N-O 3.28Å; G41-A61 VanDerWaalsContact CA-O 3.31Å; G41-A61 WeakPolarHBondContact CA-O 3.28Å; G41-Q63 PolarHBondContact O-NE2 2.79Å
42A98.9Very high98.4Very high0 Ų043.2 Ų43.20%024%0.241CC..EExtended strand (participates in β ladder)trans-97.9152.9-177.200000112.5W11 C40 L47 A50 A61 Q63W11-A42 HydrophobicContact CE3-CB 3.62Å; W11-A42 HydrophobicContact CZ3-CB 3.66Å; C40-A42 PolarHBondContact O-N 3.27Å; A42-L47 HydrophobicContact CB-CD2 4.21Å; A42-A50 HydrophobicContact CB-CB 4.07Å; A42-A61 PolarHBondContact N-O 2.92Å; A42-A61 VanDerWaalsContact N-O 3.12Å; A42-Q63 VanDerWaalsContact C-NE2 3.28Å; A42-Q63 WeakPolarHBondContact O-CG 3.42Å
43P98.9Very high98.5Very high17 Ų1747.1 Ų47.111%0.1126%0.257CS..  trans-52.5143.3166.7-21.629000111K12 N14 I45 Y46 L47K12-P43 WeakPolarHBondContact O-CG 3.34Å; N14-P43 WeakPolarHBondContact O-CG 3.38Å; P43-I45 VanDerWaalsContact C-N 3.25Å; P43-I45 HydrophobicContact CB-CG2 4.47Å; P43-I45 PolarHBondContact O-N 3.28Å; P43-I45 VanDerWaalsContact O-N 3.14Å; P43-Y46 HydrophobicContact CB-CD2 3.95Å; P43-Y46 HydrophobicContact CG-CD2 3.98Å; P43-Y46 PolarHBondContact O-N 2.88Å; P43-L47 PolarHBondContact O-N 2.92Å
44S98.9Very high98.5Very high77 Ų7746.8 Ų46.854%0.53826%0.255SS..G310 helixtrans-53.5-40.8-17353.10000113.4Y46 L47S44-Y46 PolarHBondContact O-N 2.85Å; S44-Y46 VanDerWaalsContact O-N 3.15Å; S44-L47 PolarHBondContact O-N 3.15Å
45I98.8Very high98.6Very high135 Ų13544.1 Ų44.169%0.69224%0.235SC*.G310 helixtrans-64.8-15178.9-162168.5000114.1P43P43-I45 VanDerWaalsContact C-N 3.25Å; P43-I45 HydrophobicContact CB-CG2 4.47Å; P43-I45 PolarHBondContact O-N 3.28Å; P43-I45 VanDerWaalsContact O-N 3.14Å
46Y98.9Very high98.7Very high46 Ų4644.5 Ų44.518%0.1824%0.244CC..G310 helixtrans-115.69.2-179.8-57.2-54.3000113.5G15 K17 L20 P43 S44 F49 A50G15-Y46 WeakPolarHBondContact O-CE2 3.41Å; K17-Y46 HydrophobicContact CG-CD1 4.34Å; K17-Y46 HydrophobicContact CG-CE1 4.03Å; L20-Y46 HydrophobicContact CD1-CD2 3.56Å; L20-Y46 HydrophobicContact CD1-CE2 4.19Å; L20-Y46 HydrophobicContact CD1-CG 3.83Å; P43-Y46 HydrophobicContact CB-CD2 3.95Å; P43-Y46 HydrophobicContact CG-CD2 3.98Å; P43-Y46 PolarHBondContact O-N 2.88Å; S44-Y46 PolarHBondContact O-N 2.85Å; S44-Y46 VanDerWaalsContact O-N 3.15Å; Y46-F49 PolarHBondContact O-N 3.13Å; Y46-A50 VanDerWaalsContact O-CB 3.29Å; Y46-A50 WeakPolarHBondContact O-CB 3.37Å; Y46-A50 PolarHBondContact O-N 2.72Å
47L98.9Very high98.6Very high9 Ų949.8 Ų49.85%0.04727%0.266CS..Hα-helixtrans-59.8-51.7-178.5-75.1171.7000112.7A42 P43 S44 F49 A50 R51 V60 A61 A62 I77 V85 V87A42-L47 HydrophobicContact CB-CD2 4.21Å; P43-L47 PolarHBondContact O-N 2.92Å; S44-L47 PolarHBondContact O-N 3.15Å; L47-F49 VanDerWaalsContact C-N 3.35Å; L47-F49 PolarHBondContact O-N 3.46Å; L47-A50 PolarHBondContact O-N 3.45Å; L47-R51 WeakPolarHBondContact O-CB 3.38Å; L47-R51 PolarHBondContact O-N 2.94Å; L47-V60 HydrophobicContact CD2-CG1 4Å; L47-A61 VanDerWaalsContact CD2-O 3.28Å; L47-A61 WeakPolarHBondContact CD2-O 3.35Å; L47-A62 HydrophobicContact CD1-CB 3.91Å; L47-A62 HydrophobicContact CD2-CB 4.28Å; L47-I77 HydrophobicContact CD1-CD1 4.27Å; L47-V85 HydrophobicContact CB-CG2 4.35Å; L47-V87 HydrophobicContact CB-CG2 4.28Å; L47-V87 HydrophobicContact CD2-CG1 4.42Å; L47-V87 HydrophobicContact CD2-CG2 4.4Å
48E98.6Very high98.6Very high136 Ų13647.4 Ų47.464%0.63626%0.255SS*.Hα-helixtrans-62.5-43.1178.2-173.8-177.2-159.100111.2A50 R51 A52 V85E48-A50 PolarHBondContact O-N 2.72Å; E48-R51 PolarHBondContact O-N 2.87Å; E48-A52 VanDerWaalsContact O-CB 3.28Å; E48-A52 WeakPolarHBondContact O-CB 3.39Å; E48-A52 PolarHBondContact O-N 3.23Å; E48-V85 HydrophobicContact CB-CB 4.17Å; E48-V85 HydrophobicContact CB-CG1 4.23Å; E48-V85 HydrophobicContact CG-CB 4.48Å
49F98.8Very high98.6Very high35 Ų3547.9 Ų47.915%0.15426%0.261CS..Hα-helixtrans-59.7-46.9176.2172.2-94.6000112.3K17 L20 I24 Y46 L47 K53K17-F49 HydrophobicContact CB-CE2 4.27Å; K17-F49 HydrophobicContact CB-CZ 4.18Å; K17-F49 HydrophobicContact CD-CD2 4.45Å; K17-F49 HydrophobicContact CD-CE2 4.38Å; K17-F49 HydrophobicContact CG-CD2 4.3Å; K17-F49 HydrophobicContact CG-CE2 4.12Å; K17-F49 HydrophobicContact CG-CZ 4.35Å; K17-F49 WeakPolarHBondContact O-CZ 3.4Å; L20-F49 HydrophobicContact CB-CE1 4.1Å; I24-F49 HydrophobicContact CD1-CD1 4.42Å; I24-F49 HydrophobicContact CD1-CE1 4.08Å; Y46-F49 PolarHBondContact O-N 3.13Å; L47-F49 VanDerWaalsContact C-N 3.35Å; L47-F49 PolarHBondContact O-N 3.46Å; F49-K53 HydrophobicContact CD2-CD 4.24Å; F49-K53 HydrophobicContact CE1-CD 4.16Å; F49-K53 HydrophobicContact CE2-CD 3.63Å; F49-K53 HydrophobicContact CZ-CD 3.58Å; F49-K53 PolarHBondContact O-N 3.35Å
50A98.8Very high98.6Very high0 Ų047.8 Ų47.80%026%0.261CS..Hα-helixtrans-64.6-4517900000110.7W11 I24 A42 Y46 L47 E48 A52 K53 L54 V60W11-A50 HydrophobicContact CH2-CB 4.44Å; W11-A50 HydrophobicContact CZ3-CB 4.23Å; I24-A50 HydrophobicContact CD1-CB 4.34Å; A42-A50 HydrophobicContact CB-CB 4.07Å; Y46-A50 VanDerWaalsContact O-CB 3.29Å; Y46-A50 WeakPolarHBondContact O-CB 3.37Å; Y46-A50 PolarHBondContact O-N 2.72Å; L47-A50 PolarHBondContact O-N 3.45Å; E48-A50 PolarHBondContact O-N 2.72Å; A50-A52 PolarHBondContact O-N 3.16Å; A50-K53 PolarHBondContact O-N 3.24Å; A50-L54 HydrophobicContact CB-CD1 4.33Å; A50-L54 VanDerWaalsContact O-CB 3.3Å; A50-L54 WeakPolarHBondContact O-CB 3.49Å; A50-L54 WeakPolarHBondContact O-CG 3.48Å; A50-L54 PolarHBondContact O-N 3.43Å; A50-V60 HydrophobicContact CB-CG1 4.42Å
51R98.7Very high98.6Very high44 Ų4447.8 Ų47.817%0.16626%0.261CS..Hα-helixtrans-63.6-42.3178.7-176.860.5-75.71617.4112.2L47 E48 K53 L54 D55 I58 V60 G86 V87L47-R51 WeakPolarHBondContact O-CB 3.38Å; L47-R51 PolarHBondContact O-N 2.94Å; E48-R51 PolarHBondContact O-N 2.87Å; R51-K53 VanDerWaalsContact C-N 3.27Å; R51-K53 PolarHBondContact O-N 3.07Å; R51-L54 PolarHBondContact NH2-O 2.82Å; R51-D55 PolarHBondContact NH2-O 3.45Å; R51-I58 PolarHBondContact NH1-O 2.77Å; R51-I58 PolarHBondContact NH2-O 3.34Å; R51-I58 VanDerWaalsContact NH2-O 3.15Å; R51-V60 HydrophobicContact CB-CG2 4.21Å; R51-G86 VanDerWaalsContact CD-O 3.26Å; R51-G86 WeakPolarHBondContact CD-O 3.39Å; R51-V87 HydrophobicContact CB-CG2 4.13Å; R51-V87 HydrophobicContact CG-CG2 4.46Å
52A98.6Very high98.6Very high86 Ų8647.8 Ų47.871%0.71126%0.26SS*.Hα-helixtrans-65.6-29.1179.300000113.3E48 A50E48-A52 VanDerWaalsContact O-CB 3.28Å; E48-A52 WeakPolarHBondContact O-CB 3.39Å; E48-A52 PolarHBondContact O-N 3.23Å; A50-A52 PolarHBondContact O-N 3.16Å
53K98.7Very high98.6Very high105 Ų10549.8 Ų49.846%0.45727%0.27SS..Hα-helixtrans-100.8-29.9-175.5-70.5-165.1172.3-167.30115.1I24 N28 F49 A50 R51I24-K53 HydrophobicContact CD1-CB 4.17Å; I24-K53 HydrophobicContact CG2-CB 3.79Å; I24-K53 WeakPolarHBondContact CG2-O 3.36Å; N28-K53 PolarHBondContact ND2-O 2.9Å; F49-K53 HydrophobicContact CD2-CD 4.24Å; F49-K53 HydrophobicContact CE1-CD 4.16Å; F49-K53 HydrophobicContact CE2-CD 3.63Å; F49-K53 HydrophobicContact CZ-CD 3.58Å; F49-K53 PolarHBondContact O-N 3.35Å; A50-K53 PolarHBondContact O-N 3.24Å; R51-K53 VanDerWaalsContact C-N 3.27Å; R51-K53 PolarHBondContact O-N 3.07Å
54L98.7Very high98.6Very high5 Ų550.2 Ų50.23%0.02627%0.271CS..SBendtrans-70140.4177.5-81.1162.6000110.5W11 I24 L27 C40 A50 R51 I58 V60W11-L54 HydrophobicContact CH2-CD1 4.49Å; I24-L54 HydrophobicContact CB-CD2 4.32Å; I24-L54 HydrophobicContact CB-CG 4.5Å; I24-L54 HydrophobicContact CD1-CG 4.32Å; I24-L54 HydrophobicContact CG1-CD2 4.02Å; I24-L54 HydrophobicContact CG1-CG 3.93Å; I24-L54 HydrophobicContact CG2-CD2 3.89Å; I24-L54 HydrophobicContact CG2-CG 3.92Å; L27-L54 HydrophobicContact CB-CD2 4.35Å; L27-L54 HydrophobicContact CD1-CD2 4.14Å; C40-L54 HydrophobicContact CB-CD1 4.07Å; A50-L54 HydrophobicContact CB-CD1 4.33Å; A50-L54 VanDerWaalsContact O-CB 3.3Å; A50-L54 WeakPolarHBondContact O-CB 3.49Å; A50-L54 WeakPolarHBondContact O-CG 3.48Å; A50-L54 PolarHBondContact O-N 3.43Å; R51-L54 PolarHBondContact NH2-O 2.82Å; L54-I58 HydrophobicContact CD1-CG2 4.42Å; L54-I58 HydrophobicContact CD2-CB 4.37Å; L54-I58 HydrophobicContact CD2-CD1 3.97Å; L54-I58 HydrophobicContact CD2-CG2 4.11Å; L54-V60 HydrophobicContact CD1-CG2 3.65Å
55D98.2Very high98.6Very high48 Ų4846.6 Ų46.626%0.25725%0.246SC..  trans-47.5131.8167.7-174.7-39.8000109.4N28 R51 K57 I58N28-D55 PolarHBondContact OD1-N 3.39Å; R51-D55 PolarHBondContact NH2-O 3.45Å; D55-K57 HydrophobicContact CB-CD 4.49Å; D55-K57 HydrophobicContact CB-CG 4.21Å; D55-K57 PolarHBondContact O-N 3.36Å; D55-K57 WeakPolarHBondContact OD1-CB 3.48Å; D55-K57 WeakPolarHBondContact OD1-CD 3.36Å; D55-K57 VanDerWaalsContact OD1-CG 3.25Å; D55-K57 WeakPolarHBondContact OD1-CG 3.33Å; D55-K57 PolarHBondContact OD1-N 3.45Å; D55-K57 WeakPolarHBondContact OD2-CD 3.46Å; D55-K57 VanDerWaalsContact OD2-CE 3.23Å; D55-K57 WeakPolarHBondContact OD2-CE 3.33Å; D55-K57 IonicContact OD2-NZ 3.11Å; D55-K57 PolarHBondContact OD2-NZ 3.1Å; D55-I58 HydrophobicContact CB-CD1 4.44Å; D55-I58 PolarHBondContact O-N 3.44Å
56P97.5Very high98.6Very high121 Ų12142.5 Ų42.579%0.78622%0.222SC*.THydrogen-bonded Turntrans-53.3-23.8180-28.535.6000114.8I58P56-I58 PolarHBondContact O-N 2.9Å
57K97.1Very high98.6Very high121 Ų12143.6 Ų43.653%0.52623%0.227SC..THydrogen-bonded Turntrans-68.2-21175.280.9-163.8179.9-143.80113.7D55D55-K57 HydrophobicContact CB-CD 4.49Å; D55-K57 HydrophobicContact CB-CG 4.21Å; D55-K57 PolarHBondContact O-N 3.36Å; D55-K57 WeakPolarHBondContact OD1-CB 3.48Å; D55-K57 WeakPolarHBondContact OD1-CD 3.36Å; D55-K57 VanDerWaalsContact OD1-CG 3.25Å; D55-K57 WeakPolarHBondContact OD1-CG 3.33Å; D55-K57 PolarHBondContact OD1-N 3.45Å; D55-K57 WeakPolarHBondContact OD2-CD 3.46Å; D55-K57 VanDerWaalsContact OD2-CE 3.23Å; D55-K57 WeakPolarHBondContact OD2-CE 3.33Å; D55-K57 IonicContact OD2-NZ 3.11Å; D55-K57 PolarHBondContact OD2-NZ 3.1Å
58I98.6Very high98.6Very high1 Ų145.6 Ų45.61%0.00524%0.24CC..SBendtrans-95.2119.4176.7-57.5171.2000107.6L27 L32 V38 R51 L54 D55 P56L27-I58 HydrophobicContact CB-CD1 4.07Å; L32-I58 HydrophobicContact CD1-CD1 3.86Å; L32-I58 HydrophobicContact CD1-CG1 4.04Å; V38-I58 HydrophobicContact CB-CG2 4.32Å; V38-I58 HydrophobicContact CG1-CG2 3.99Å; R51-I58 PolarHBondContact NH1-O 2.77Å; R51-I58 PolarHBondContact NH2-O 3.34Å; R51-I58 VanDerWaalsContact NH2-O 3.15Å; L54-I58 HydrophobicContact CD1-CG2 4.42Å; L54-I58 HydrophobicContact CD2-CB 4.37Å; L54-I58 HydrophobicContact CD2-CD1 3.97Å; L54-I58 HydrophobicContact CD2-CG2 4.11Å; D55-I58 HydrophobicContact CB-CD1 4.44Å; D55-I58 PolarHBondContact O-N 3.44Å; P56-I58 PolarHBondContact O-N 2.9Å
59G98.7Very high98.5Very high16 Ų1646.3 Ų46.317%0.16524%0.241CC..EExtended strand (participates in β ladder)trans-67.8155.8174.700000112.2V38 V39 C40V38-G59 PolarHBondContact O-N 3.19Å; V39-G59 CarbonylContact C-O 3.58Å; V39-G59 WeakPolarHBondContact CA-O 3.41Å; C40-G59 PolarHBondContact N-O 3.23Å
60V98.9Very high98.3Very high1 Ų147 Ų471%0.00626%0.258CS..EExtended strand (participates in β ladder)trans-116.9143168.7178.80000107.8C40 L47 A50 R51 L54 V87 W89C40-V60 CarbonylContact O-C 3.6Å; C40-V60 WeakPolarHBondContact O-CA 3.39Å; L47-V60 HydrophobicContact CD2-CG1 4Å; A50-V60 HydrophobicContact CB-CG1 4.42Å; R51-V60 HydrophobicContact CB-CG2 4.21Å; L54-V60 HydrophobicContact CD1-CG2 3.65Å; V60-V87 HydrophobicContact CB-CG1 4.25Å; V60-V87 HydrophobicContact CB-CG2 4.02Å; V60-V87 HydrophobicContact CG1-CG1 4.04Å; V60-V87 HydrophobicContact CG1-CG2 3.7Å; V60-V87 VanDerWaalsContact O-CG1 3.26Å; V60-V87 WeakPolarHBondContact O-CG1 3.42Å; V60-W89 PolarHBondContact O-N 2.82Å
61A98.9Very high98.3Very high0 Ų050.1 Ų50.10%029%0.29CS..EExtended strand (participates in β ladder)trans-122.3144.1173.400000111.4V39 C40 G41 A42 L47 W89 I91V39-A61 HydrophobicContact CG1-CB 3.66Å; C40-A61 PolarHBondContact O-N 3.37Å; G41-A61 VanDerWaalsContact CA-O 3.31Å; G41-A61 WeakPolarHBondContact CA-O 3.28Å; A42-A61 PolarHBondContact N-O 2.92Å; A42-A61 VanDerWaalsContact N-O 3.12Å; L47-A61 VanDerWaalsContact CD2-O 3.28Å; L47-A61 WeakPolarHBondContact CD2-O 3.35Å; A61-W89 CarbonylContact C-O 3.41Å; A61-W89 WeakPolarHBondContact CA-O 3.5Å; A61-W89 HydrophobicContact CB-CB 3.52Å; A61-I91 HydrophobicContact CB-CG1 4.41Å
62A98.9Very high98.3Very high1 Ų152.9 Ų52.91%0.00832%0.322CS..EExtended strand (participates in β ladder)trans-73.6151.8157.500000110.4L47 I77 I82 W89 V90 I91L47-A62 HydrophobicContact CD1-CB 3.91Å; L47-A62 HydrophobicContact CD2-CB 4.28Å; A62-I77 HydrophobicContact CB-CD1 4.43Å; A62-I82 HydrophobicContact CB-CD1 3.46Å; A62-I82 VanDerWaalsContact CB-CD1 3.46Å; A62-I82 HydrophobicContact CB-CG1 3.82Å; A62-I82 HydrophobicContact CB-CG2 4.21Å; A62-W89 PolarHBondContact N-O 2.85Å; A62-V90 HydrophobicContact CB-CB 4.43Å; A62-V90 HydrophobicContact CB-CG2 4.07Å; A62-V90 CarbonylContact O-C 3.45Å; A62-V90 WeakPolarHBondContact O-CA 3.47Å; A62-I91 PolarHBondContact O-N 3.41Å
63Q98.9Very high98.3Very high41 Ų4152.8 Ų52.819%0.19231%0.306CS..SBendtrans-89.5-10.9-179.6-68.1173.2-3.400113.8K12 G41 A42 I91K12-Q63 PolarHBondContact O-NE2 3.25Å; K12-Q63 PolarHBondContact O-OE1 3.48Å; G41-Q63 PolarHBondContact O-NE2 2.79Å; A42-Q63 VanDerWaalsContact C-NE2 3.28Å; A42-Q63 WeakPolarHBondContact O-CG 3.42Å; Q63-I91 CarbonylContact C-O 3.43Å; Q63-I91 VanDerWaalsContact O-O 3.12Å
64N98.9Very high98.3Very high27 Ų2755 Ų5514%0.14433%0.328CS..  trans-165163171.7-162.112.4000109.1R97 E103 K111N64-R97 PolarHBondContact ND2-NE 3.48Å; N64-E103 PolarHBondContact ND2-OE1 2.96Å; N64-E103 VanDerWaalsContact ND2-OE1 3.08Å; N64-K111 PolarHBondContact ND2-NZ 3.35Å; N64-K111 PolarHBondContact OD1-NZ 3Å
65C98.9Very high98.3Very high0 Ų058.4 Ų58.40%037%0.365CS..  trans-153.7172.4163.873.40000110.6I77 I82 V90 K111C65-I77 CarbonylContact C-O 3.57Å; C65-I77 WeakPolarHBondContact CA-O 3.3Å; C65-I82 HydrophobicContact CB-CD1 3.54Å; C65-V90 HydrophobicContact CB-CG2 4.13Å; C65-K111 WeakPolarHBondContact O-CD 3.38Å; C65-K111 WeakPolarHBondContact O-CE 3.46Å; C65-K111 PolarHBondContact O-NZ 3.48Å
66Y98.8Very high98.3Very high49 Ų4959.6 Ų59.619%0.19237%0.369CS..  trans-98.2169.2177-150.7-117.5000113.5V68 F73 E76 I77 P79Y66-V68 HydrophobicContact CD1-CG2 3.89Å; Y66-V68 HydrophobicContact CE1-CG2 4.29Å; Y66-V68 PolarHBondContact O-N 3.25Å; Y66-F73 HydrophobicContact CD1-CD1 4.05Å; Y66-F73 HydrophobicContact CD1-CD2 4.28Å; Y66-F73 HydrophobicContact CD1-CE1 4.35Å; Y66-F73 HydrophobicContact CD1-CG 4.01Å; Y66-F73 AromaticContact CE1-CD1 3.37Å; Y66-F73 HydrophobicContact CE1-CD1 3.37Å; Y66-F73 HydrophobicContact CE1-CD2 4.24Å; Y66-F73 AromaticContact CE1-CE1 3.42Å; Y66-F73 HydrophobicContact CE1-CE1 3.42Å; Y66-F73 VanDerWaalsContact CE1-CE1 3.42Å; Y66-F73 HydrophobicContact CE1-CE2 4.29Å; Y66-F73 AromaticContact CE1-CG 3.81Å; Y66-F73 HydrophobicContact CE1-CG 3.81Å; Y66-F73 AromaticContact CE1-CZ 3.89Å; Y66-F73 HydrophobicContact CE1-CZ 3.89Å; Y66-F73 AromaticContact CZ-CD1 3.84Å; Y66-F73 AromaticContact CZ-CE1 3.97Å; Y66-E76 HydrophobicContact CD2-CG 3.87Å; Y66-E76 WeakPolarHBondContact CD2-OE2 3.47Å; Y66-E76 HydrophobicContact CE2-CG 4.44Å; Y66-E76 HydrophobicContact CG-CB 4.28Å; Y66-E76 HydrophobicContact CG-CG 4.05Å; Y66-I77 PolarHBondContact N-O 2.99Å; Y66-P79 WeakPolarHBondContact O-CD 3.27Å
67K98.6Very high98.4Very high69 Ų6956 Ų5630%0.334%0.343SS..SBendtrans-89.69.1-170.564.4174.1176.6-170.50115.3L107 Q110 K111 H114K67-L107 HydrophobicContact CD-CD1 3.81Å; K67-L107 HydrophobicContact CG-CD1 4.44Å; K67-Q110 HydrophobicContact CB-CB 4.22Å; K67-Q110 HydrophobicContact CD-CB 3.96Å; K67-K111 HydrophobicContact CB-CG 4.06Å; K67-H114 PolarHBondContact O-CD2 3.46Å; K67-H114 VanDerWaalsContact O-CG 3.31Å
68V98.4Very high98.4Very high52 Ų5250.5 Ų50.532%0.31532%0.319SS..SBendtrans-140.8159.7176.3-64.40000111.2Y66 G70 F73 S78 H114Y66-V68 HydrophobicContact CD1-CG2 3.89Å; Y66-V68 HydrophobicContact CE1-CG2 4.29Å; Y66-V68 PolarHBondContact O-N 3.25Å; V68-G70 VanDerWaalsContact C-N 3.32Å; V68-G70 PolarHBondContact O-N 3.17Å; V68-F73 HydrophobicContact CG2-CD2 3.94Å; V68-F73 HydrophobicContact CG2-CE2 3.47Å; V68-F73 VanDerWaalsContact CG2-CE2 3.47Å; V68-F73 HydrophobicContact CG2-CZ 4.08Å; V68-S78 VanDerWaalsContact O-CB 3.27Å; V68-S78 WeakPolarHBondContact O-CB 3.35Å; V68-H114 VanDerWaalsContact CA-NE2 3.32Å; V68-H114 WeakPolarHBondContact CA-NE2 3.47Å; V68-H114 PolarHBondContact N-CD2 2.84Å
69K96.4Very high98.4Very high151 Ų15150.4 Ų50.466%0.65732%0.319SS*.SBendtrans-63.6-33.2-175.8-176.2178.8177.5-178.30113.5S78 A80 H114K69-S78 WeakPolarHBondContact O-CB 2.95Å; K69-S78 PolarHBondContact O-OG 3.31Å; K69-A80 HydrophobicContact CG-CB 4.12Å; K69-H114 PolarHBondContact N-NE2 3.34Å; K69-H114 VanDerWaalsContact N-NE2 3.15Å
70G95.9Very high98.4Very high49 Ų4951.1 Ų51.151%0.50532%0.323SS..SBendtrans177.8172-179.300000111.1V68V68-G70 VanDerWaalsContact C-N 3.32Å; V68-G70 PolarHBondContact O-N 3.17Å
71G98.1Very high98.4Very high66 Ų6655.9 Ų55.968%0.6835%0.346SS*.SBendtrans146.7-162.6-18000000112.6F73G71-F73 VanDerWaalsContact C-N 3.26Å; G71-F73 PolarHBondContact O-N 3.27Å
72A98.3Very high98.4Very high101 Ų10156 Ų5684%0.83535%0.347SS*.SBendtrans-78.968-179.300000112.2
73F98.4Very high98.4Very high84 Ų8460.3 Ų60.337%0.36837%0.366SS..  trans-130.266.3-178.9-55.5-78.3000110.2Y66 V68 G71 G75 E76Y66-F73 HydrophobicContact CD1-CD1 4.05Å; Y66-F73 HydrophobicContact CD1-CD2 4.28Å; Y66-F73 HydrophobicContact CD1-CE1 4.35Å; Y66-F73 HydrophobicContact CD1-CG 4.01Å; Y66-F73 AromaticContact CE1-CD1 3.37Å; Y66-F73 HydrophobicContact CE1-CD1 3.37Å; Y66-F73 HydrophobicContact CE1-CD2 4.24Å; Y66-F73 AromaticContact CE1-CE1 3.42Å; Y66-F73 HydrophobicContact CE1-CE1 3.42Å; Y66-F73 VanDerWaalsContact CE1-CE1 3.42Å; Y66-F73 HydrophobicContact CE1-CE2 4.29Å; Y66-F73 AromaticContact CE1-CG 3.81Å; Y66-F73 HydrophobicContact CE1-CG 3.81Å; Y66-F73 AromaticContact CE1-CZ 3.89Å; Y66-F73 HydrophobicContact CE1-CZ 3.89Å; Y66-F73 AromaticContact CZ-CD1 3.84Å; Y66-F73 AromaticContact CZ-CE1 3.97Å; V68-F73 HydrophobicContact CG2-CD2 3.94Å; V68-F73 HydrophobicContact CG2-CE2 3.47Å; V68-F73 VanDerWaalsContact CG2-CE2 3.47Å; V68-F73 HydrophobicContact CG2-CZ 4.08Å; G71-F73 VanDerWaalsContact C-N 3.26Å; G71-F73 PolarHBondContact O-N 3.27Å; F73-G75 PolarHBondContact O-N 2.74Å; F73-E76 HydrophobicContact CB-CB 4.04Å; F73-E76 HydrophobicContact CB-CG 4.14Å; F73-E76 WeakPolarHBondContact O-CB 3.36Å; F73-E76 PolarHBondContact O-N 2.89Å
74T98.6Very high98.4Very high151 Ų15165.2 Ų65.293%0.92639%0.393SS*.THydrogen-bonded Turntrans-52.6123.3-176.8-580000111.5
75G98.4Very high98.4Very high77 Ų7766 Ų6679%0.79440%0.399SS*.THydrogen-bonded Turntrans95.9-15.5179.200000115F73F73-G75 PolarHBondContact O-N 2.74Å
76E98.8Very high98.3Very high73 Ų7367.4 Ų67.434%0.34141%0.413SS..  trans-84155.7176.9-68.1-64.3120.900112.4Y66 F73Y66-E76 HydrophobicContact CD2-CG 3.87Å; Y66-E76 WeakPolarHBondContact CD2-OE2 3.47Å; Y66-E76 HydrophobicContact CE2-CG 4.44Å; Y66-E76 HydrophobicContact CG-CB 4.28Å; Y66-E76 HydrophobicContact CG-CG 4.05Å; F73-E76 HydrophobicContact CB-CB 4.04Å; F73-E76 HydrophobicContact CB-CG 4.14Å; F73-E76 WeakPolarHBondContact O-CB 3.36Å; F73-E76 PolarHBondContact O-N 2.89Å
77I98.9Very high98.3Very high47 Ų4765.1 Ų65.124%0.24140%0.404CS..  trans-119.3148.6168.964.1173.4000110.2L47 A62 C65 Y66 M81 I82L47-I77 HydrophobicContact CD1-CD1 4.27Å; A62-I77 HydrophobicContact CB-CD1 4.43Å; C65-I77 CarbonylContact C-O 3.57Å; C65-I77 WeakPolarHBondContact CA-O 3.3Å; Y66-I77 PolarHBondContact N-O 2.99Å; I77-M81 HydrophobicContact CB-SD 4.13Å; I77-M81 HydrophobicContact CG2-SD 4.34Å; I77-I82 HydrophobicContact CD1-CD1 4.17Å; I77-I82 HydrophobicContact CD1-CG1 4Å
78S98.9Very high98.3Very high4 Ų467 Ų673%0.02841%0.414CS..  trans-103161.3-179.872.40000112.8V68 K69 A80 M81 I82V68-S78 VanDerWaalsContact O-CB 3.27Å; V68-S78 WeakPolarHBondContact O-CB 3.35Å; K69-S78 WeakPolarHBondContact O-CB 2.95Å; K69-S78 PolarHBondContact O-OG 3.31Å; S78-A80 PolarHBondContact O-N 2.78Å; S78-A80 VanDerWaalsContact O-N 3.16Å; S78-A80 PolarHBondContact OG-N 3.42Å; S78-M81 PolarHBondContact O-N 2.92Å; S78-M81 VanDerWaalsContact O-N 3.07Å; S78-M81 PolarHBondContact OG-N 2.86Å; S78-I82 WeakPolarHBondContact O-CG1 3.26Å; S78-I82 PolarHBondContact O-N 3.06Å; S78-I82 VanDerWaalsContact O-N 3.14Å
79P98.8Very high98.3Very high0 Ų065.8 Ų65.80%040%0.404CS..Hα-helixtrans-52.8-32.6170.4-30.337.8000113.9Y66 I82 K83 A115 N118 L120Y66-P79 WeakPolarHBondContact O-CD 3.27Å; P79-I82 PolarHBondContact O-N 2.78Å; P79-K83 PolarHBondContact O-N 2.99Å; P79-A115 HydrophobicContact CG-CB 4.27Å; P79-N118 HydrophobicContact CB-CB 3.62Å; P79-L120 HydrophobicContact CB-CD1 3.74Å; P79-L120 HydrophobicContact CB-CG 4.34Å; P79-L120 HydrophobicContact CG-CD1 4.43Å
80A98.4Very high98.4Very high31 Ų3158.6 Ų58.626%0.25637%0.372SS..Hα-helixtrans-65.1-44.3176.900000111.9K69 S78 I82 K83 D84K69-A80 HydrophobicContact CG-CB 4.12Å; S78-A80 PolarHBondContact O-N 2.78Å; S78-A80 VanDerWaalsContact O-N 3.16Å; S78-A80 PolarHBondContact OG-N 3.42Å; A80-I82 VanDerWaalsContact C-N 3.33Å; A80-I82 PolarHBondContact O-N 3.13Å; A80-K83 PolarHBondContact O-N 3.32Å; A80-D84 WeakPolarHBondContact O-CB 3.32Å; A80-D84 PolarHBondContact O-N 3.07Å
81M98.8Very high98.6Very high100 Ų10056.4 Ų56.449%0.49335%0.349SS..Hα-helixtrans-64.1-38.4176.2-64.1170.9178.500111.9I77 S78 D84 V85I77-M81 HydrophobicContact CB-SD 4.13Å; I77-M81 HydrophobicContact CG2-SD 4.34Å; S78-M81 PolarHBondContact O-N 2.92Å; S78-M81 VanDerWaalsContact O-N 3.07Å; S78-M81 PolarHBondContact OG-N 2.86Å; M81-D84 WeakPolarHBondContact O-CB 3.35Å; M81-D84 PolarHBondContact O-N 3.15Å; M81-V85 PolarHBondContact O-N 3.07Å
82I98.9Very high98.6Very high2 Ų253.3 Ų53.31%0.0132%0.317CS..Hα-helixtrans-62.6-45177.4-66165.3000110.3A62 C65 I77 S78 P79 A80 D84 V85 V87 V90 L120A62-I82 HydrophobicContact CB-CD1 3.46Å; A62-I82 VanDerWaalsContact CB-CD1 3.46Å; A62-I82 HydrophobicContact CB-CG1 3.82Å; A62-I82 HydrophobicContact CB-CG2 4.21Å; C65-I82 HydrophobicContact CB-CD1 3.54Å; I77-I82 HydrophobicContact CD1-CD1 4.17Å; I77-I82 HydrophobicContact CD1-CG1 4Å; S78-I82 WeakPolarHBondContact O-CG1 3.26Å; S78-I82 PolarHBondContact O-N 3.06Å; S78-I82 VanDerWaalsContact O-N 3.14Å; P79-I82 PolarHBondContact O-N 2.78Å; A80-I82 VanDerWaalsContact C-N 3.33Å; A80-I82 PolarHBondContact O-N 3.13Å; I82-D84 VanDerWaalsContact C-N 3.34Å; I82-D84 PolarHBondContact O-N 2.89Å; I82-V85 VanDerWaalsContact O-CG2 3.26Å; I82-V85 WeakPolarHBondContact O-CG2 3.26Å; I82-V85 PolarHBondContact O-N 2.86Å; I82-V87 HydrophobicContact CG2-CB 3.66Å; I82-V87 HydrophobicContact CG2-CG1 3.48Å; I82-V87 VanDerWaalsContact CG2-CG1 3.48Å; I82-V87 WeakPolarHBondContact O-CB 3.27Å; I82-V87 PolarHBondContact O-N 2.81Å; I82-V87 VanDerWaalsContact O-N 3.15Å; I82-V90 HydrophobicContact CD1-CG2 4.4Å; I82-L120 HydrophobicContact CB-CD1 4.19Å; I82-L120 HydrophobicContact CD1-CD1 4.12Å; I82-L120 HydrophobicContact CG2-CD1 4.02Å; I82-L120 HydrophobicContact CG2-CD2 3.93Å
83K98.4Very high98.6Very high93 Ų9348.5 Ų48.540%0.40428%0.277SS..Hα-helixtrans-65.9-36176.9-75.5-177.363.1-172.60113.5P79 A80 V85 G86 N118 L120P79-K83 PolarHBondContact O-N 2.99Å; A80-K83 PolarHBondContact O-N 3.32Å; K83-V85 PolarHBondContact O-N 2.88Å; K83-G86 PolarHBondContact O-N 2.72Å; K83-N118 WeakPolarHBondContact CD-O 3.37Å; K83-N118 WeakPolarHBondContact CE-O 3.44Å; K83-N118 PolarHBondContact NZ-O 3.33Å; K83-L120 HydrophobicContact CD-CD2 4.21Å; K83-L120 HydrophobicContact CG-CD2 3.51Å; K83-L120 HydrophobicContact CG-CG 4.26Å
84D98.6Very high98.7Very high144 Ų14444.8 Ų44.877%0.7726%0.261SS*.Hα-helixtrans-57.5-37.6-179-169.952.7000111.8A80 M81 I82 G86A80-D84 WeakPolarHBondContact O-CB 3.32Å; A80-D84 PolarHBondContact O-N 3.07Å; M81-D84 WeakPolarHBondContact O-CB 3.35Å; M81-D84 PolarHBondContact O-N 3.15Å; I82-D84 VanDerWaalsContact C-N 3.34Å; I82-D84 PolarHBondContact O-N 2.89Å; D84-G86 VanDerWaalsContact C-N 3.27Å; D84-G86 PolarHBondContact O-N 3.07Å
85V98.5Very high98.6Very high44 Ų4438.1 Ų38.127%0.26722%0.22SC..THydrogen-bonded Turntrans-87.816.6176.1-59.20000114L47 E48 M81 I82 K83 V87L47-V85 HydrophobicContact CB-CG2 4.35Å; E48-V85 HydrophobicContact CB-CB 4.17Å; E48-V85 HydrophobicContact CB-CG1 4.23Å; E48-V85 HydrophobicContact CG-CB 4.48Å; M81-V85 PolarHBondContact O-N 3.07Å; I82-V85 VanDerWaalsContact O-CG2 3.26Å; I82-V85 WeakPolarHBondContact O-CG2 3.26Å; I82-V85 PolarHBondContact O-N 2.86Å; K83-V85 PolarHBondContact O-N 2.88Å; V85-V87 VanDerWaalsContact C-N 3.32Å; V85-V87 HydrophobicContact CG2-CB 4.35Å; V85-V87 HydrophobicContact CG2-CG2 3.95Å; V85-V87 PolarHBondContact O-N 2.78Å
86G98.2Very high98.5Very high28 Ų2837.7 Ų37.729%0.28920%0.198SC..THydrogen-bonded Turntrans73.717.6176.600000115R51 K83 D84R51-G86 VanDerWaalsContact CD-O 3.26Å; R51-G86 WeakPolarHBondContact CD-O 3.39Å; K83-G86 PolarHBondContact O-N 2.72Å; D84-G86 VanDerWaalsContact C-N 3.27Å; D84-G86 PolarHBondContact O-N 3.07Å
87V98.7Very high98.5Very high1 Ų136.4 Ų36.41%0.00619%0.19CC..  trans-94.5138.6178175.70000109.7L47 R51 V60 I82 V85 L120L47-V87 HydrophobicContact CB-CG2 4.28Å; L47-V87 HydrophobicContact CD2-CG1 4.42Å; L47-V87 HydrophobicContact CD2-CG2 4.4Å; R51-V87 HydrophobicContact CB-CG2 4.13Å; R51-V87 HydrophobicContact CG-CG2 4.46Å; V60-V87 HydrophobicContact CB-CG1 4.25Å; V60-V87 HydrophobicContact CB-CG2 4.02Å; V60-V87 HydrophobicContact CG1-CG1 4.04Å; V60-V87 HydrophobicContact CG1-CG2 3.7Å; V60-V87 VanDerWaalsContact O-CG1 3.26Å; V60-V87 WeakPolarHBondContact O-CG1 3.42Å; I82-V87 HydrophobicContact CG2-CB 3.66Å; I82-V87 HydrophobicContact CG2-CG1 3.48Å; I82-V87 VanDerWaalsContact CG2-CG1 3.48Å; I82-V87 WeakPolarHBondContact O-CB 3.27Å; I82-V87 PolarHBondContact O-N 2.81Å; I82-V87 VanDerWaalsContact O-N 3.15Å; V85-V87 VanDerWaalsContact C-N 3.32Å; V85-V87 HydrophobicContact CG2-CB 4.35Å; V85-V87 HydrophobicContact CG2-CG2 3.95Å; V85-V87 PolarHBondContact O-N 2.78Å; V87-L120 WeakPolarHBondContact O-CD2 3.37Å
88H97.8Very high98.5Very high108 Ų10834.9 Ų34.950%0.518%0.181SC..  trans-123.92.3-169.2-64.5-56.7000114.7L120 G121H88-L120 CarbonylContact O-C 3.55Å; H88-L120 WeakPolarHBondContact O-CA 3.26Å; H88-G121 PolarHBondContact O-N 3.03Å
89W98.9Very high98.3Very high28 Ų2839.9 Ų39.911%0.10620%0.199CC..EExtended strand (participates in β ladder)trans-128.4156.3177.7-7392.5000111.8F6 E37 V39 V60 A61 A62 G121 I123 V160F6-W89 HydrophobicContact CE2-CH2 4.07Å; F6-W89 HydrophobicContact CE2-CZ2 4.07Å; F6-W89 HydrophobicContact CE2-CZ3 4.48Å; E37-W89 WeakPolarHBondContact OE1-CZ2 3.38Å; V39-W89 HydrophobicContact CG1-CB 3.96Å; V39-W89 HydrophobicContact CG1-CG 3.95Å; V39-W89 HydrophobicContact CG2-CD2 4.42Å; V39-W89 HydrophobicContact CG2-CG 4.3Å; V60-W89 PolarHBondContact O-N 2.82Å; A61-W89 CarbonylContact C-O 3.41Å; A61-W89 WeakPolarHBondContact CA-O 3.5Å; A61-W89 HydrophobicContact CB-CB 3.52Å; A62-W89 PolarHBondContact N-O 2.85Å; W89-G121 CarbonylContact C-O 3.54Å; W89-G121 VanDerWaalsContact CA-O 3.3Å; W89-G121 WeakPolarHBondContact CA-O 3.46Å; W89-I123 HydrophobicContact CE3-CG1 3.95Å; W89-I123 HydrophobicContact CZ3-CG1 4.23Å; W89-V160 HydrophobicContact CH2-CG2 3.89Å; W89-V160 HydrophobicContact CZ3-CG2 3.88Å
90V98.9Very high98.2Very high0 Ų045 Ų450%023%0.231CC..EExtended strand (participates in β ladder)trans-141.9139.5167.363.40000110.7A62 C65 I82 L92 A115 L120 G121 V122 I123A62-V90 HydrophobicContact CB-CB 4.43Å; A62-V90 HydrophobicContact CB-CG2 4.07Å; A62-V90 CarbonylContact O-C 3.45Å; A62-V90 WeakPolarHBondContact O-CA 3.47Å; C65-V90 HydrophobicContact CB-CG2 4.13Å; I82-V90 HydrophobicContact CD1-CG2 4.4Å; V90-L92 HydrophobicContact CG1-CD1 3.92Å; V90-L92 HydrophobicContact CG1-CG 4.03Å; V90-L92 HydrophobicContact CG2-CD2 4.01Å; V90-L92 HydrophobicContact CG2-CG 4.02Å; V90-A115 HydrophobicContact CG1-CB 3.75Å; V90-L120 HydrophobicContact CB-CD1 4.3Å; V90-L120 HydrophobicContact CG1-CD1 4.06Å; V90-G121 PolarHBondContact N-O 3.2Å; V90-V122 HydrophobicContact CG1-CG2 4.06Å; V90-V122 WeakPolarHBondContact O-CA 3.37Å; V90-I123 PolarHBondContact O-N 3Å
91I98.9Very high98.2Very high2 Ų249.8 Ų49.81%0.0125%0.246CC..EExtended strand (participates in β ladder)trans-89.3127.7169.9-57.1168.1000107.7N10 A61 A62 Q63 H94 I123 L229N10-I91 HydrophobicContact CB-CD1 4Å; A61-I91 HydrophobicContact CB-CG1 4.41Å; A62-I91 PolarHBondContact O-N 3.41Å; Q63-I91 CarbonylContact C-O 3.43Å; Q63-I91 VanDerWaalsContact O-O 3.12Å; I91-H94 HydrophobicContact CG2-CB 4.24Å; I91-I123 WeakPolarHBondContact CA-O 3.43Å; I91-I123 HydrophobicContact CG1-CB 4.21Å; I91-I123 HydrophobicContact CG1-CD1 3.93Å; I91-L229 HydrophobicContact CD1-CD1 4.38Å
92L98.9Very high98.2Very high1 Ų147.5 Ų47.51%0.00525%0.248CC..EExtended strand (participates in β ladder)trans-134.4143.4-178.1-69.7175.7000111.3V90 H94 I108 K111 C112 A115 V122 I123 C125V90-L92 HydrophobicContact CG1-CD1 3.92Å; V90-L92 HydrophobicContact CG1-CG 4.03Å; V90-L92 HydrophobicContact CG2-CD2 4.01Å; V90-L92 HydrophobicContact CG2-CG 4.02Å; L92-H94 VanDerWaalsContact C-N 3.27Å; L92-H94 PolarHBondContact O-N 3.29Å; L92-I108 HydrophobicContact CB-CG2 4.49Å; L92-K111 HydrophobicContact CD1-CB 3.87Å; L92-K111 HydrophobicContact CD2-CB 4.09Å; L92-K111 HydrophobicContact CD2-CD 4.09Å; L92-C112 HydrophobicContact CD1-CB 4.4Å; L92-A115 HydrophobicContact CD1-CB 4.19Å; L92-V122 HydrophobicContact CB-CG1 4.31Å; L92-V122 HydrophobicContact CD1-CG1 4.07Å; L92-V122 HydrophobicContact CD1-CG2 4.47Å; L92-V122 HydrophobicContact CG-CG1 4.48Å; L92-I123 PolarHBondContact N-O 3.34Å; L92-C125 PolarHBondContact O-N 3.12Å
93G98.6Very high98.2Very high0 Ų048.1 Ų48.10%025%0.251CS..SBendtrans71.718.8-179.200000114.6R98 C125G93-R98 WeakPolarHBondContact O-CD 3.38Å; G93-R98 PolarHBondContact O-NE 3.47Å; G93-C125 WeakPolarHBondContact O-CB 3.48Å
94H98.6Very high98.2Very high7 Ų747.5 Ų47.53%0.03226%0.255CS..  trans-54144.2173.7-173.1-99.5000110.5N10 I91 L92 E96 R97 R98 E164N10-H94 PolarHBondContact ND2-NE2 2.87Å; I91-H94 HydrophobicContact CG2-CB 4.24Å; L92-H94 VanDerWaalsContact C-N 3.27Å; L92-H94 PolarHBondContact O-N 3.29Å; H94-E96 IonicContact CE1-OE1 3.54Å; H94-E96 IonicContact CE1-OE2 3.3Å; H94-E96 PolarHBondContact CE1-OE2 2.81Å; H94-E96 VanDerWaalsContact CE1-OE2 3.3Å; H94-E96 PolarHBondContact ND1-N 2.74Å; H94-E96 IonicContact ND1-OE2 3.39Å; H94-E96 PolarHBondContact ND1-OE2 2.93Å; H94-E96 PolarHBondContact O-N 3.35Å; H94-E96 VanDerWaalsContact O-N 3.13Å; H94-R97 HydrophobicContact CB-CG 4.28Å; H94-R97 WeakPolarHBondContact O-CA 3.47Å; H94-R97 VanDerWaalsContact O-CB 3.28Å; H94-R97 WeakPolarHBondContact O-CB 3.08Å; H94-R97 PolarHBondContact O-N 2.82Å; H94-R98 PolarHBondContact O-N 3.09Å; H94-E164 IonicContact CD2-OE1 3.7Å; H94-E164 IonicContact CD2-OE2 2.81Å; H94-E164 PolarHBondContact CD2-OE2 3.49Å; H94-E164 VanDerWaalsContact CD2-OE2 3.26Å; H94-E164 IonicContact NE2-OE1 2.72Å; H94-E164 IonicContact NE2-OE2 3.63Å
95S96.8Very high98.2Very high11 Ų1142.7 Ų42.78%0.07723%0.229CC..Hα-helixtrans-52.6-39.2-174.560.70000113.5R97 R98 W99 I169S95-R97 VanDerWaalsContact C-N 3.32Å; S95-R97 PolarHBondContact O-N 2.86Å; S95-R98 PolarHBondContact O-N 3.31Å; S95-W99 PolarHBondContact O-N 3.49Å; S95-I169 WeakPolarHBondContact OG-CD1 3.32Å
96E97.6Very high98.2Very high67 Ų6746.5 Ų46.531%0.31324%0.244SC..Hα-helixtrans-60.1-40.7175.4-69159.8-171.700111.8K12 H94 V100 F101K12-E96 WeakPolarHBondContact CD-OE1 3.34Å; K12-E96 VanDerWaalsContact CE-OE1 3.24Å; K12-E96 WeakPolarHBondContact CE-OE1 3.49Å; K12-E96 IonicContact NZ-OE1 2.67Å; K12-E96 PolarHBondContact NZ-OE1 3.35Å; H94-E96 IonicContact CE1-OE1 3.54Å; H94-E96 IonicContact CE1-OE2 3.3Å; H94-E96 PolarHBondContact CE1-OE2 2.81Å; H94-E96 VanDerWaalsContact CE1-OE2 3.3Å; H94-E96 PolarHBondContact ND1-N 2.74Å; H94-E96 IonicContact ND1-OE2 3.39Å; H94-E96 PolarHBondContact ND1-OE2 2.93Å; H94-E96 PolarHBondContact O-N 3.35Å; H94-E96 VanDerWaalsContact O-N 3.13Å; E96-V100 WeakPolarHBondContact O-CA 3.32Å; E96-V100 WeakPolarHBondContact O-CB 3.46Å; E96-V100 PolarHBondContact O-N 2.9Å; E96-F101 WeakPolarHBondContact O-CD2 3.47Å
97R98.7Very high98.2Very high46 Ų4646.8 Ų46.817%0.17424%0.239CC..Hα-helixtrans-64.3-41.6176.4-60.2-61.2-28.4135.16.5111.6N64 H94 S95 F101 G102 E103N64-R97 PolarHBondContact ND2-NE 3.48Å; H94-R97 HydrophobicContact CB-CG 4.28Å; H94-R97 WeakPolarHBondContact O-CA 3.47Å; H94-R97 VanDerWaalsContact O-CB 3.28Å; H94-R97 WeakPolarHBondContact O-CB 3.08Å; H94-R97 PolarHBondContact O-N 2.82Å; S95-R97 VanDerWaalsContact C-N 3.32Å; S95-R97 PolarHBondContact O-N 2.86Å; R97-F101 VanDerWaalsContact CZ-CB 3.5Å; R97-F101 VanDerWaalsContact CZ-CD2 3.47Å; R97-F101 VanDerWaalsContact NH1-CD1 3.32Å; R97-F101 VanDerWaalsContact NH1-CZ 3.32Å; R97-F101 CarbonylContact O-C 3.46Å; R97-F101 WeakPolarHBondContact O-CB 3.33Å; R97-F101 PolarHBondContact O-N 3.39Å; R97-G102 PolarHBondContact O-N 2.87Å; R97-E103 HydrophobicContact CB-CB 4.43Å; R97-E103 HydrophobicContact CB-CG 4.24Å; R97-E103 IonicContact CZ-OE1 3.32Å; R97-E103 VanDerWaalsContact CZ-OE1 3.32Å; R97-E103 IonicContact NE-OE1 2.79Å; R97-E103 PolarHBondContact NE-OE1 3.3Å; R97-E103 IonicContact NH2-OE1 2.98Å; R97-E103 PolarHBondContact NH2-OE1 3.28Å; R97-E103 PolarHBondContact O-N 3.21Å
98R98.3Very high98.2Very high16 Ų1646.8 Ų46.86%0.0624%0.239CC..Hα-helixtrans-66.5-49.7179.6-65.7174.4178.4-836.3111.6G93 H94 S95 G102 D105 I108 C125G93-R98 WeakPolarHBondContact O-CD 3.38Å; G93-R98 PolarHBondContact O-NE 3.47Å; H94-R98 PolarHBondContact O-N 3.09Å; S95-R98 PolarHBondContact O-N 3.31Å; R98-G102 WeakPolarHBondContact O-CA 3.48Å; R98-G102 PolarHBondContact O-N 3.16Å; R98-D105 IonicContact CZ-OD1 3.26Å; R98-D105 IonicContact NH1-OD1 3.95Å; R98-D105 PolarHBondContact NH1-OD1 3.43Å; R98-D105 IonicContact NH2-OD1 3.93Å; R98-I108 HydrophobicContact CG-CD1 3.76Å; R98-I108 VanDerWaalsContact CZ-CD1 3.4Å; R98-I108 VanDerWaalsContact NH1-CD1 3.29Å; R98-C125 PolarHBondContact NH2-O 2.91Å
99W94.9Very high98.2Very high108 Ų10841.6 Ų41.641%0.40922%0.215SC..Hα-helixtrans-99.1-30-165.1-53.3126.6000114.5S95 K129S95-W99 PolarHBondContact O-N 3.49Å; W99-K129 VanDerWaalsContact CD2-CE 3.43Å; W99-K129 VanDerWaalsContact CE2-CE 3.43Å; W99-K129 HydrophobicContact CZ2-CD 4.39Å; W99-K129 VanDerWaalsContact CZ2-CE 3.42Å; W99-K129 HydrophobicContact CZ2-CG 4.23Å; W99-K129 VanDerWaalsContact CZ3-NZ 3.26Å
100V97.4Very high98.2Very high109 Ų10943 Ų4366%0.66122%0.222SC*.THydrogen-bonded Turntrans-88.1-36.1176.8-177.20000110.7E96E96-V100 WeakPolarHBondContact O-CA 3.32Å; E96-V100 WeakPolarHBondContact O-CB 3.46Å; E96-V100 PolarHBondContact O-N 2.9Å
101F98.6Very high98.2Very high130 Ų13043 Ų4357%0.5722%0.223SC*.SBendtrans-114.10.2-173.6-60.9-99.9000114.5E96 R97 E103E96-F101 WeakPolarHBondContact O-CD2 3.47Å; R97-F101 VanDerWaalsContact CZ-CB 3.5Å; R97-F101 VanDerWaalsContact CZ-CD2 3.47Å; R97-F101 VanDerWaalsContact NH1-CD1 3.32Å; R97-F101 VanDerWaalsContact NH1-CZ 3.32Å; R97-F101 CarbonylContact O-C 3.46Å; R97-F101 WeakPolarHBondContact O-CB 3.33Å; R97-F101 PolarHBondContact O-N 3.39Å; F101-E103 PolarHBondContact O-N 2.93Å
102G98.3Very high98.2Very high53 Ų5343 Ų4355%0.54622%0.222SC..  trans71.826.3171.200000115.3R97 R98 T104R97-G102 PolarHBondContact O-N 2.87Å; R98-G102 WeakPolarHBondContact O-CA 3.48Å; R98-G102 PolarHBondContact O-N 3.16Å; G102-T104 PolarHBondContact O-N 3.19Å
103E98.8Very high98.2Very high15 Ų1543.5 Ų43.57%0.0723%0.227CC..  trans-67.6119.7174.5-65.8-167.3-16400111N64 R97 F101 L107 I108 K111N64-E103 PolarHBondContact ND2-OE1 2.96Å; N64-E103 VanDerWaalsContact ND2-OE1 3.08Å; R97-E103 HydrophobicContact CB-CB 4.43Å; R97-E103 HydrophobicContact CB-CG 4.24Å; R97-E103 IonicContact CZ-OE1 3.32Å; R97-E103 VanDerWaalsContact CZ-OE1 3.32Å; R97-E103 IonicContact NE-OE1 2.79Å; R97-E103 PolarHBondContact NE-OE1 3.3Å; R97-E103 IonicContact NH2-OE1 2.98Å; R97-E103 PolarHBondContact NH2-OE1 3.28Å; R97-E103 PolarHBondContact O-N 3.21Å; F101-E103 PolarHBondContact O-N 2.93Å; E103-L107 HydrophobicContact CB-CD2 4.24Å; E103-L107 HydrophobicContact CG-CD2 4.03Å; E103-I108 HydrophobicContact CB-CD1 4.1Å; E103-I108 HydrophobicContact CB-CG1 4.07Å; E103-K111 IonicContact OE1-NZ 3.66Å; E103-K111 PolarHBondContact OE1-NZ 2.93Å; E103-K111 IonicContact OE2-NZ 3.58Å; E103-K111 PolarHBondContact OE2-NZ 3.36Å
104T98.5Very high98.2Very high79 Ų7944.8 Ų44.849%0.48523%0.233SC..  trans-78.9158.2-17965.20000111.9G102 E106 L107 I108G102-T104 PolarHBondContact O-N 3.19Å; T104-E106 PolarHBondContact O-N 3.08Å; T104-L107 PolarHBondContact O-N 2.98Å; T104-L107 VanDerWaalsContact O-N 3.15Å; T104-L107 PolarHBondContact OG1-N 3.37Å; T104-I108 WeakPolarHBondContact O-CD1 3.38Å; T104-I108 VanDerWaalsContact O-CG1 3.27Å; T104-I108 WeakPolarHBondContact O-CG1 3.32Å; T104-I108 PolarHBondContact O-N 3.36Å
105D98.1Very high98.2Very high44 Ų4444.5 Ų44.524%0.23523%0.231CC..Hα-helixtrans-56.3-39.3175.3-72.4-47.7000112.9R98 I108 G109 H148R98-D105 IonicContact CZ-OD1 3.26Å; R98-D105 IonicContact NH1-OD1 3.95Å; R98-D105 PolarHBondContact NH1-OD1 3.43Å; R98-D105 IonicContact NH2-OD1 3.93Å; D105-I108 PolarHBondContact O-N 3.06Å; D105-G109 PolarHBondContact O-N 3.49Å; D105-H148 HydrophobicContact CB-CB 4.07Å; D105-H148 WeakPolarHBondContact CB-CD2 3.33Å
106E98Very high98.3Very high123 Ų12345.4 Ų45.458%0.57524%0.235SC*.Hα-helixtrans-60.6-48.5175.9-172-169.1165.700111.7T104 I108 G109 Q110T104-E106 PolarHBondContact O-N 3.08Å; E106-I108 VanDerWaalsContact C-N 3.31Å; E106-I108 PolarHBondContact O-N 3.27Å; E106-G109 PolarHBondContact O-N 3.08Å; E106-Q110 WeakPolarHBondContact O-CG 3.36Å; E106-Q110 PolarHBondContact O-N 3.05Å; E106-Q110 PolarHBondContact OE1-NE2 3.11Å
107L98.7Very high98.3Very high35 Ų3549.4 Ų49.418%0.18325%0.254CS..Hα-helixtrans-61.3-42.8178.6174.760.5000111.1K67 E103 T104 Q110 K111K67-L107 HydrophobicContact CD-CD1 3.81Å; K67-L107 HydrophobicContact CG-CD1 4.44Å; E103-L107 HydrophobicContact CB-CD2 4.24Å; E103-L107 HydrophobicContact CG-CD2 4.03Å; T104-L107 PolarHBondContact O-N 2.98Å; T104-L107 VanDerWaalsContact O-N 3.15Å; T104-L107 PolarHBondContact OG1-N 3.37Å; L107-Q110 PolarHBondContact O-N 3.21Å; L107-K111 HydrophobicContact CD1-CG 4.36Å; L107-K111 HydrophobicContact CG-CD 4.34Å; L107-K111 WeakPolarHBondContact O-CG 3.24Å; L107-K111 PolarHBondContact O-N 2.97Å
108I98.8Very high98.2Very high0 Ų049 Ų490%026%0.256CS..Hα-helixtrans-67.5-42.1-178.5-61.9159.7000110.2L92 R98 E103 T104 D105 E106 Q110 K111 C112 F149L92-I108 HydrophobicContact CB-CG2 4.49Å; R98-I108 HydrophobicContact CG-CD1 3.76Å; R98-I108 VanDerWaalsContact CZ-CD1 3.4Å; R98-I108 VanDerWaalsContact NH1-CD1 3.29Å; E103-I108 HydrophobicContact CB-CD1 4.1Å; E103-I108 HydrophobicContact CB-CG1 4.07Å; T104-I108 WeakPolarHBondContact O-CD1 3.38Å; T104-I108 VanDerWaalsContact O-CG1 3.27Å; T104-I108 WeakPolarHBondContact O-CG1 3.32Å; T104-I108 PolarHBondContact O-N 3.36Å; D105-I108 PolarHBondContact O-N 3.06Å; E106-I108 VanDerWaalsContact C-N 3.31Å; E106-I108 PolarHBondContact O-N 3.27Å; I108-Q110 VanDerWaalsContact C-N 3.33Å; I108-Q110 PolarHBondContact O-N 2.75Å; I108-K111 PolarHBondContact O-N 3.5Å; I108-C112 PolarHBondContact O-N 3.2Å; I108-C112 PolarHBondContact O-SG 3.31Å; I108-F149 HydrophobicContact CB-CE1 4.42Å; I108-F149 HydrophobicContact CG2-CE1 3.57Å; I108-F149 HydrophobicContact CG2-CZ 4.11Å
109G98.4Very high98.2Very high0 Ų049.5 Ų49.50%027%0.265CS..Hα-helixtrans-56-45.5173.100000112.5D105 E106 C112 A113 N152D105-G109 PolarHBondContact O-N 3.49Å; E106-G109 PolarHBondContact O-N 3.08Å; G109-C112 PolarHBondContact O-N 3.26Å; G109-A113 PolarHBondContact O-N 3.34Å; G109-N152 WeakPolarHBondContact O-CB 3.27Å
110Q98.6Very high98.3Very high56 Ų5644.3 Ų44.326%0.26225%0.245SC..Hα-helixtrans-62.7-41.9175.7-69.4167.7-1.200112.4K67 E106 L107 I108 H114K67-Q110 HydrophobicContact CB-CB 4.22Å; K67-Q110 HydrophobicContact CD-CB 3.96Å; E106-Q110 WeakPolarHBondContact O-CG 3.36Å; E106-Q110 PolarHBondContact O-N 3.05Å; E106-Q110 PolarHBondContact OE1-NE2 3.11Å; L107-Q110 PolarHBondContact O-N 3.21Å; I108-Q110 VanDerWaalsContact C-N 3.33Å; I108-Q110 PolarHBondContact O-N 2.75Å; Q110-H114 WeakPolarHBondContact O-CB 3.26Å; Q110-H114 PolarHBondContact O-N 3.48Å
111K98.9Very high98.4Very high2 Ų239.3 Ų39.31%0.00922%0.215CC..Hα-helixtrans-62.7-44.9175.5-73.7177.5169.6-162.40111.7N64 C65 K67 L92 E103 L107 I108 H114 A115N64-K111 PolarHBondContact ND2-NZ 3.35Å; N64-K111 PolarHBondContact OD1-NZ 3Å; C65-K111 WeakPolarHBondContact O-CD 3.38Å; C65-K111 WeakPolarHBondContact O-CE 3.46Å; C65-K111 PolarHBondContact O-NZ 3.48Å; K67-K111 HydrophobicContact CB-CG 4.06Å; L92-K111 HydrophobicContact CD1-CB 3.87Å; L92-K111 HydrophobicContact CD2-CB 4.09Å; L92-K111 HydrophobicContact CD2-CD 4.09Å; E103-K111 IonicContact OE1-NZ 3.66Å; E103-K111 PolarHBondContact OE1-NZ 2.93Å; E103-K111 IonicContact OE2-NZ 3.58Å; E103-K111 PolarHBondContact OE2-NZ 3.36Å; L107-K111 HydrophobicContact CD1-CG 4.36Å; L107-K111 HydrophobicContact CG-CD 4.34Å; L107-K111 WeakPolarHBondContact O-CG 3.24Å; L107-K111 PolarHBondContact O-N 2.97Å; I108-K111 PolarHBondContact O-N 3.5Å; K111-H114 PolarHBondContact O-N 3.02Å; K111-A115 WeakPolarHBondContact O-CB 3.22Å; K111-A115 PolarHBondContact O-N 2.87Å
112C98.8Very high98.4Very high0 Ų033.1 Ų33.10%019%0.188CC..Hα-helixtrans-60.9-47.8178.9-70.40000111.4L92 I108 G109 A115 L116 V122 I153L92-C112 HydrophobicContact CD1-CB 4.4Å; I108-C112 PolarHBondContact O-N 3.2Å; I108-C112 PolarHBondContact O-SG 3.31Å; G109-C112 PolarHBondContact O-N 3.26Å; C112-A115 PolarHBondContact O-N 3.43Å; C112-L116 WeakPolarHBondContact O-CG 3.27Å; C112-L116 PolarHBondContact O-N 3.07Å; C112-L116 VanDerWaalsContact O-N 3.07Å; C112-V122 HydrophobicContact CB-CG1 4.39Å; C112-I153 HydrophobicContact CB-CD1 4.12Å; C112-I153 HydrophobicContact CB-CG1 4.34Å
113A98.4Very high98.5Very high12 Ų1230.6 Ų30.610%0.09916%0.163CC..Hα-helixtrans-57.7-50.8175.400000111.4G109 A115 L116 E117 N152G109-A113 PolarHBondContact O-N 3.34Å; A113-A115 VanDerWaalsContact C-N 3.32Å; A113-A115 PolarHBondContact O-N 2.8Å; A113-L116 PolarHBondContact O-N 3.2Å; A113-E117 WeakPolarHBondContact O-CB 3.45Å; A113-E117 VanDerWaalsContact O-CG 3.3Å; A113-E117 WeakPolarHBondContact O-CG 3.47Å; A113-E117 PolarHBondContact O-N 3.32Å; A113-N152 HydrophobicContact CB-CB 4.09Å
114H98.6Very high98.5Very high28 Ų2829.9 Ų29.913%0.1316%0.159CC..Hα-helixtrans-63.1-37.9-178.1-166.758.6000113K67 V68 K69 Q110 K111 E117 N118K67-H114 PolarHBondContact O-CD2 3.46Å; K67-H114 VanDerWaalsContact O-CG 3.31Å; V68-H114 VanDerWaalsContact CA-NE2 3.32Å; V68-H114 WeakPolarHBondContact CA-NE2 3.47Å; V68-H114 PolarHBondContact N-CD2 2.84Å; K69-H114 PolarHBondContact N-NE2 3.34Å; K69-H114 VanDerWaalsContact N-NE2 3.15Å; Q110-H114 WeakPolarHBondContact O-CB 3.26Å; Q110-H114 PolarHBondContact O-N 3.48Å; K111-H114 PolarHBondContact O-N 3.02Å; H114-E117 IonicContact ND1-OE2 3.72Å; H114-N118 PolarHBondContact CE1-ND2 3.15Å; H114-N118 PolarHBondContact NE2-ND2 3.35Å; H114-N118 PolarHBondContact O-N 3.49Å; H114-N118 PolarHBondContact O-ND2 2.97Å
115A98.8Very high98.5Very high0 Ų026.2 Ų26.20%014%0.136CC..Hα-helixtrans-62.8-45.7175.600000112P79 V90 L92 K111 C112 A113 N118 G119 L120 V122P79-A115 HydrophobicContact CG-CB 4.27Å; V90-A115 HydrophobicContact CG1-CB 3.75Å; L92-A115 HydrophobicContact CD1-CB 4.19Å; K111-A115 WeakPolarHBondContact O-CB 3.22Å; K111-A115 PolarHBondContact O-N 2.87Å; C112-A115 PolarHBondContact O-N 3.43Å; A113-A115 VanDerWaalsContact C-N 3.32Å; A113-A115 PolarHBondContact O-N 2.8Å; A115-N118 PolarHBondContact O-N 3.47Å; A115-G119 PolarHBondContact O-N 3.41Å; A115-L120 HydrophobicContact CB-CB 4.39Å; A115-L120 HydrophobicContact CB-CD1 4.33Å; A115-L120 WeakPolarHBondContact O-CB 3.36Å; A115-L120 PolarHBondContact O-N 3.04Å; A115-V122 HydrophobicContact CB-CG2 3.72Å
116L98.6Very high98.5Very high31 Ų3124.3 Ų24.316%0.16213%0.126CC..Hα-helixtrans-66.6-42.3178.4-69.2165.4000112.3C112 A113 N118 G119 V122 I153 K158 V159C112-L116 WeakPolarHBondContact O-CG 3.27Å; C112-L116 PolarHBondContact O-N 3.07Å; C112-L116 VanDerWaalsContact O-N 3.07Å; A113-L116 PolarHBondContact O-N 3.2Å; L116-N118 PolarHBondContact O-N 3.49Å; L116-G119 WeakPolarHBondContact O-CA 3.49Å; L116-G119 PolarHBondContact O-N 3.35Å; L116-V122 HydrophobicContact CD2-CB 4.4Å; L116-V122 HydrophobicContact CD2-CG2 3.94Å; L116-V122 HydrophobicContact CG-CG2 3.78Å; L116-I153 HydrophobicContact CD1-CB 4.25Å; L116-I153 HydrophobicContact CD1-CD1 3.92Å; L116-I153 HydrophobicContact CD1-CG1 3.74Å; L116-I153 HydrophobicContact CD1-CG2 3.69Å; L116-K158 HydrophobicContact CD2-CB 3.99Å; L116-V159 HydrophobicContact CD1-CG2 3.85Å; L116-V159 HydrophobicContact CD2-CG2 4.03Å
117E97.4Very high98.5Very high150 Ų15018.6 Ų18.670%0.70110%0.1SC*.Hα-helixtrans-58.7-32.7175-75169.5178.800112.2A113 H114 G119A113-E117 WeakPolarHBondContact O-CB 3.45Å; A113-E117 VanDerWaalsContact O-CG 3.3Å; A113-E117 WeakPolarHBondContact O-CG 3.47Å; A113-E117 PolarHBondContact O-N 3.32Å; H114-E117 IonicContact ND1-OE2 3.72Å; E117-G119 VanDerWaalsContact C-N 3.28Å
118N97.2Very high98.4Very high39 Ų3916.9 Ų16.921%0.2099%0.092CC..THydrogen-bonded Turntrans-84-2.7174.5-77.1-90.4000112.9P79 K83 H114 A115 L116P79-N118 HydrophobicContact CB-CB 3.62Å; K83-N118 WeakPolarHBondContact CD-O 3.37Å; K83-N118 WeakPolarHBondContact CE-O 3.44Å; K83-N118 PolarHBondContact NZ-O 3.33Å; H114-N118 PolarHBondContact CE1-ND2 3.15Å; H114-N118 PolarHBondContact NE2-ND2 3.35Å; H114-N118 PolarHBondContact O-N 3.49Å; H114-N118 PolarHBondContact O-ND2 2.97Å; A115-N118 PolarHBondContact O-N 3.47Å; L116-N118 PolarHBondContact O-N 3.49Å
119G97.7Very high98.3Very high25 Ų2520.1 Ų20.126%0.25811%0.105SC..THydrogen-bonded Turntrans91.59.4172.500000115.5A115 L116 E117 K158A115-G119 PolarHBondContact O-N 3.41Å; L116-G119 WeakPolarHBondContact O-CA 3.49Å; L116-G119 PolarHBondContact O-N 3.35Å; E117-G119 VanDerWaalsContact C-N 3.28Å; G119-K158 PolarHBondContact O-NZ 3.11Å
120L98.8Very high98Very high0 Ų023.8 Ų23.80%013%0.125CC..  trans-72151.9169.1-62.6-177.7000110.5P79 I82 K83 V87 H88 V90 A115P79-L120 HydrophobicContact CB-CD1 3.74Å; P79-L120 HydrophobicContact CB-CG 4.34Å; P79-L120 HydrophobicContact CG-CD1 4.43Å; I82-L120 HydrophobicContact CB-CD1 4.19Å; I82-L120 HydrophobicContact CD1-CD1 4.12Å; I82-L120 HydrophobicContact CG2-CD1 4.02Å; I82-L120 HydrophobicContact CG2-CD2 3.93Å; K83-L120 HydrophobicContact CD-CD2 4.21Å; K83-L120 HydrophobicContact CG-CD2 3.51Å; K83-L120 HydrophobicContact CG-CG 4.26Å; V87-L120 WeakPolarHBondContact O-CD2 3.37Å; H88-L120 CarbonylContact O-C 3.55Å; H88-L120 WeakPolarHBondContact O-CA 3.26Å; V90-L120 HydrophobicContact CB-CD1 4.3Å; V90-L120 HydrophobicContact CG1-CD1 4.06Å; A115-L120 HydrophobicContact CB-CB 4.39Å; A115-L120 HydrophobicContact CB-CD1 4.33Å; A115-L120 WeakPolarHBondContact O-CB 3.36Å; A115-L120 PolarHBondContact O-N 3.04Å
121G98.9Very high97.8Very high3 Ų325.8 Ų25.83%0.03114%0.137CC..EExtended strand (participates in β ladder)trans-80.3150.5157.600000111.3H88 W89 V90 K158H88-G121 PolarHBondContact O-N 3.03Å; W89-G121 CarbonylContact C-O 3.54Å; W89-G121 VanDerWaalsContact CA-O 3.3Å; W89-G121 WeakPolarHBondContact CA-O 3.46Å; V90-G121 PolarHBondContact N-O 3.2Å; G121-K158 CarbonylContact C-O 3.34Å; G121-K158 VanDerWaalsContact CA-O 3.27Å; G121-K158 WeakPolarHBondContact CA-O 3.46Å
122V98.9Very high97.7Very high0 Ų027.2 Ų27.20%014%0.144CC..EExtended strand (participates in β ladder)trans-123.1126.9-177.2178.60000110.3V90 L92 C112 A115 L116 A124 K158 V159 V160V90-V122 HydrophobicContact CG1-CG2 4.06Å; V90-V122 WeakPolarHBondContact O-CA 3.37Å; L92-V122 HydrophobicContact CB-CG1 4.31Å; L92-V122 HydrophobicContact CD1-CG1 4.07Å; L92-V122 HydrophobicContact CD1-CG2 4.47Å; L92-V122 HydrophobicContact CG-CG1 4.48Å; C112-V122 HydrophobicContact CB-CG1 4.39Å; A115-V122 HydrophobicContact CB-CG2 3.72Å; L116-V122 HydrophobicContact CD2-CB 4.4Å; L116-V122 HydrophobicContact CD2-CG2 3.94Å; L116-V122 HydrophobicContact CG-CG2 3.78Å; V122-A124 HydrophobicContact CG1-CB 4.03Å; V122-K158 PolarHBondContact N-O 2.97Å; V122-V159 WeakPolarHBondContact O-CA 3.2Å; V122-V160 PolarHBondContact O-N 3.18Å
123I98.9Very high97.4Very high1 Ų130.2 Ų30.21%0.00516%0.155CC..EExtended strand (participates in β ladder)trans-95.5100.8163.5-56.2165.1000106.1F6 V39 W89 V90 I91 L92 V160 A162 I206 L229F6-I123 HydrophobicContact CE1-CD1 3.9Å; F6-I123 HydrophobicContact CE1-CG1 4.2Å; F6-I123 HydrophobicContact CZ-CD1 3.79Å; F6-I123 HydrophobicContact CZ-CG1 4.01Å; V39-I123 HydrophobicContact CG1-CD1 4.41Å; W89-I123 HydrophobicContact CE3-CG1 3.95Å; W89-I123 HydrophobicContact CZ3-CG1 4.23Å; V90-I123 PolarHBondContact O-N 3Å; I91-I123 WeakPolarHBondContact CA-O 3.43Å; I91-I123 HydrophobicContact CG1-CB 4.21Å; I91-I123 HydrophobicContact CG1-CD1 3.93Å; L92-I123 PolarHBondContact N-O 3.34Å; I123-V160 CarbonylContact C-O 3.58Å; I123-V160 WeakPolarHBondContact CA-O 3.38Å; I123-V160 HydrophobicContact CG1-CB 4.36Å; I123-A162 HydrophobicContact CG2-CB 3.93Å; I123-I206 HydrophobicContact CG2-CD1 4.17Å; I123-L229 HydrophobicContact CG2-CD2 4.08Å
124A98.8Very high97.1Very high0 Ų036.8 Ų36.80%018%0.184CC..EExtended strand (participates in β ladder)trans-97113.4-174.400000110V122 F149 V160 L161 A162V122-A124 HydrophobicContact CG1-CB 4.03Å; A124-F149 HydrophobicContact CB-CD2 3.87Å; A124-F149 HydrophobicContact CB-CE2 3.48Å; A124-F149 VanDerWaalsContact CB-CE2 3.48Å; A124-F149 HydrophobicContact CB-CG 4.5Å; A124-F149 HydrophobicContact CB-CZ 3.87Å; A124-V160 PolarHBondContact N-O 3.39Å; A124-L161 HydrophobicContact CB-CD2 4.26Å; A124-A162 PolarHBondContact O-N 3.25Å
125C98.8Very high97.1Very high1 Ų138.8 Ų38.81%0.00721%0.205CC..EExtended strand (participates in β ladder)trans-92.3139.4-173.5-54.70000112.4L92 G93 R98 A162 E164L92-C125 PolarHBondContact O-N 3.12Å; G93-C125 WeakPolarHBondContact O-CB 3.48Å; R98-C125 PolarHBondContact NH2-O 2.91Å; C125-A162 WeakPolarHBondContact CA-O 3.42Å; C125-A162 HydrophobicContact CB-CB 4.43Å; C125-E164 VanDerWaalsContact CB-OE2 3.31Å; C125-E164 WeakPolarHBondContact CB-OE2 3.26Å; C125-E164 PolarHBondContact SG-OE2 3.07Å
126I98.6Very high97Very high4 Ų442 Ų422%0.02124%0.238CC..EExtended strand (participates in β ladder)trans-138.7160.7174.562178.5000109.7I142 Q145 T146 F149 A162 E164 L187I126-I142 HydrophobicContact CD1-CB 4.17Å; I126-Q145 HydrophobicContact CB-CB 4.23Å; I126-Q145 VanDerWaalsContact CB-OE1 3.22Å; I126-Q145 HydrophobicContact CG2-CB 3.75Å; I126-T146 VanDerWaalsContact CD1-OG1 3.27Å; I126-T146 WeakPolarHBondContact CD1-OG1 3.37Å; I126-F149 HydrophobicContact CG2-CD2 4.31Å; I126-F149 HydrophobicContact CG2-CE2 3.43Å; I126-F149 VanDerWaalsContact CG2-CE2 3.43Å; I126-F149 HydrophobicContact CG2-CZ 3.96Å; I126-A162 PolarHBondContact N-O 3.34Å; I126-E164 PolarHBondContact O-N 3.07Å; I126-L187 HydrophobicContact CD1-CD1 3.85Å; I126-L187 HydrophobicContact CD1-CD2 3.64Å; I126-L187 HydrophobicContact CD1-CG 4.42Å
127G97.6Very high96.9Very high3 Ų343.7 Ų43.73%0.03125%0.247CC..  trans163.2155.6174.900000112.6Q145 E164G127-Q145 PolarHBondContact O-NE2 3.47Å; G127-Q145 VanDerWaalsContact O-NE2 3.13Å; G127-Q145 PolarHBondContact O-OE1 3.39Å; G127-E164 WeakPolarHBondContact CA-O 3.42Å
128E97.1Very high96.9Very high0 Ų037.5 Ų37.50%022%0.22CC..  trans-95.3155.3178.885.7-64.2170.800112.2E132 R133 T138 V141 Y163 V166 W167E128-E132 WeakPolarHBondContact CA-OE2 3.28Å; E128-E132 HydrophobicContact CB-CB 4.03Å; E128-E132 WeakPolarHBondContact CB-OE2 3.4Å; E128-E132 HydrophobicContact CG-CB 4.42Å; E128-R133 HydrophobicContact CG-CB 3.97Å; E128-T138 HydrophobicContact CB-CG2 4.46Å; E128-T138 HydrophobicContact CG-CG2 3.92Å; E128-V141 HydrophobicContact CB-CB 4.18Å; E128-V141 HydrophobicContact CB-CG1 4.06Å; E128-Y163 PolarHBondContact OE1-OH 2.79Å; E128-Y163 VanDerWaalsContact OE2-CE2 3.31Å; E128-Y163 WeakPolarHBondContact OE2-CE2 3.28Å; E128-Y163 PolarHBondContact OE2-OH 3.15Å; E128-V166 WeakPolarHBondContact O-CB 3.14Å; E128-V166 WeakPolarHBondContact O-CG2 3.49Å; E128-V166 PolarHBondContact O-N 3.4Å; E128-W167 PolarHBondContact OE1-NE1 3.37Å
129K95.4Very high96.9Very high67 Ų6740 Ų4029%0.29123%0.23SC..  trans-79.4169170.2-63.2176.8-176.41670111.9W99 D131 E132 R133W99-K129 VanDerWaalsContact CD2-CE 3.43Å; W99-K129 VanDerWaalsContact CE2-CE 3.43Å; W99-K129 HydrophobicContact CZ2-CD 4.39Å; W99-K129 VanDerWaalsContact CZ2-CE 3.42Å; W99-K129 HydrophobicContact CZ2-CG 4.23Å; W99-K129 VanDerWaalsContact CZ3-NZ 3.26Å; K129-D131 WeakPolarHBondContact CB-OD1 3.3Å; K129-D131 PolarHBondContact O-N 3.2Å; K129-E132 HydrophobicContact CB-CB 4.49Å; K129-E132 HydrophobicContact CB-CG 4.18Å; K129-E132 PolarHBondContact N-OE2 2.91Å; K129-E132 PolarHBondContact O-N 3.49Å; K129-R133 PolarHBondContact O-N 3.31Å
130L92.2Very high96.9Very high77 Ų7746.1 Ų46.140%0.40325%0.249SC..Hα-helixtrans-61.3-45.7-179.5-174.456.4000112.2E132 R133 E134 W167L130-E132 VanDerWaalsContact C-N 3.33Å; L130-E132 PolarHBondContact O-N 3.36Å; L130-R133 WeakPolarHBondContact O-CB 3.33Å; L130-R133 PolarHBondContact O-N 2.8Å; L130-R133 VanDerWaalsContact O-N 3.17Å; L130-E134 HydrophobicContact CD1-CG 4.29Å; L130-E134 HydrophobicContact CG-CG 4.42Å; L130-E134 WeakPolarHBondContact O-CG 3.45Å; L130-E134 PolarHBondContact O-N 3.28Å; L130-W167 HydrophobicContact CB-CB 3.79Å; L130-W167 HydrophobicContact CB-CG 4.42Å; L130-W167 HydrophobicContact CD1-CB 3.99Å; L130-W167 HydrophobicContact CD1-CG 4.06Å; L130-W167 HydrophobicContact CG-CB 4.38Å
131D94.8Very high96.9Very high99 Ų9947 Ų4753%0.52926%0.255SS..Hα-helixtrans-63.3-38.417958.2-42.6000112K129 R133 E134 A135K129-D131 WeakPolarHBondContact CB-OD1 3.3Å; K129-D131 PolarHBondContact O-N 3.2Å; D131-R133 VanDerWaalsContact C-N 3.33Å; D131-E134 PolarHBondContact O-N 2.88Å; D131-A135 VanDerWaalsContact O-CB 3.23Å; D131-A135 WeakPolarHBondContact O-CB 3.21Å; D131-A135 PolarHBondContact O-N 3.35Å
132E96.6Very high96.8Very high32 Ų3247 Ų4715%0.1525%0.254CS..Hα-helixtrans-65.3-37.7174.4-64.9170.2164.800111.7E128 K129 L130 G136 I137 V141E128-E132 WeakPolarHBondContact CA-OE2 3.28Å; E128-E132 HydrophobicContact CB-CB 4.03Å; E128-E132 WeakPolarHBondContact CB-OE2 3.4Å; E128-E132 HydrophobicContact CG-CB 4.42Å; K129-E132 HydrophobicContact CB-CB 4.49Å; K129-E132 HydrophobicContact CB-CG 4.18Å; K129-E132 PolarHBondContact N-OE2 2.91Å; K129-E132 PolarHBondContact O-N 3.49Å; L130-E132 VanDerWaalsContact C-N 3.33Å; L130-E132 PolarHBondContact O-N 3.36Å; E132-G136 PolarHBondContact O-N 2.95Å; E132-I137 HydrophobicContact CB-CD1 4.18Å; E132-I137 HydrophobicContact CB-CG1 3.97Å; E132-I137 HydrophobicContact CG-CD1 4.19Å; E132-I137 WeakPolarHBondContact O-CG1 3.37Å; E132-I137 PolarHBondContact O-N 2.92Å; E132-V141 HydrophobicContact CB-CG2 4.15Å; E132-V141 HydrophobicContact CG-CG2 4.13Å
133R94Very high96.8Very high62 Ų6248.2 Ų48.223%0.23426%0.261CS..Hα-helixtrans-68.3-47.5174.4-175.9167.8-156-151.810.6112.2E128 K129 L130 D131 A135 G136 W167 Q179E128-R133 HydrophobicContact CG-CB 3.97Å; K129-R133 PolarHBondContact O-N 3.31Å; L130-R133 WeakPolarHBondContact O-CB 3.33Å; L130-R133 PolarHBondContact O-N 2.8Å; L130-R133 VanDerWaalsContact O-N 3.17Å; D131-R133 VanDerWaalsContact C-N 3.33Å; R133-A135 PolarHBondContact O-N 3.04Å; R133-G136 PolarHBondContact O-N 2.87Å; R133-W167 VanDerWaalsContact CZ-CZ2 3.45Å; R133-Q179 VanDerWaalsContact NH1-OE1 3.14Å
134E92.3Very high96.7Very high151 Ų15150.5 Ų50.571%0.70628%0.28SS*.Hα-helixtrans-63.1-31.1179.1-72.5175167.700111.7L130 D131 G136L130-E134 HydrophobicContact CD1-CG 4.29Å; L130-E134 HydrophobicContact CG-CG 4.42Å; L130-E134 WeakPolarHBondContact O-CG 3.45Å; L130-E134 PolarHBondContact O-N 3.28Å; D131-E134 PolarHBondContact O-N 2.88Å; E134-G136 PolarHBondContact O-N 2.91Å
135A97.1Very high96.7Very high70 Ų7050.8 Ų50.858%0.57928%0.281SS*.THydrogen-bonded Turntrans-77.2-2.217200000114.2D131 R133 I137D131-A135 VanDerWaalsContact O-CB 3.23Å; D131-A135 WeakPolarHBondContact O-CB 3.21Å; D131-A135 PolarHBondContact O-N 3.35Å; R133-A135 PolarHBondContact O-N 3.04Å; A135-I137 VanDerWaalsContact C-N 3.32Å; A135-I137 HydrophobicContact CB-CG1 4.19Å; A135-I137 PolarHBondContact O-N 2.88Å
136G96.6Very high96.6Very high67 Ų6750.8 Ų50.869%0.69128%0.281SS*.THydrogen-bonded Turntrans71.122.7178.700000114.4E132 R133 E134E132-G136 PolarHBondContact O-N 2.95Å; R133-G136 PolarHBondContact O-N 2.87Å; E134-G136 PolarHBondContact O-N 2.91Å
137I97.9Very high96.6Very high66 Ų6655.2 Ų55.234%0.33830%0.3SS..  trans-108.315.7-175.762.1166.2000113.9E132 A135 E139 K140 V141E132-I137 HydrophobicContact CB-CD1 4.18Å; E132-I137 HydrophobicContact CB-CG1 3.97Å; E132-I137 HydrophobicContact CG-CD1 4.19Å; E132-I137 WeakPolarHBondContact O-CG1 3.37Å; E132-I137 PolarHBondContact O-N 2.92Å; A135-I137 VanDerWaalsContact C-N 3.32Å; A135-I137 HydrophobicContact CB-CG1 4.19Å; A135-I137 PolarHBondContact O-N 2.88Å; I137-E139 VanDerWaalsContact C-N 3.31Å; I137-E139 PolarHBondContact O-N 3.37Å; I137-K140 HydrophobicContact CB-CB 4.35Å; I137-K140 WeakPolarHBondContact O-CB 3.44Å; I137-K140 PolarHBondContact O-N 2.88Å; I137-K140 VanDerWaalsContact O-N 3.07Å; I137-V141 HydrophobicContact CD1-CG2 4.31Å; I137-V141 HydrophobicContact CG1-CG2 4.38Å; I137-V141 PolarHBondContact O-N 2.74Å; I137-V141 VanDerWaalsContact O-N 3.08Å
138T97Very high96.6Very high21 Ų2158 Ų5813%0.12931%0.312CS..Hα-helixtrans-46.7-51.9177.8-58.90000112.2E128 K140 V141 I142 V183E128-T138 HydrophobicContact CB-CG2 4.46Å; E128-T138 HydrophobicContact CG-CG2 3.92Å; T138-K140 VanDerWaalsContact C-N 3.34Å; T138-K140 PolarHBondContact O-N 2.68Å; T138-V141 PolarHBondContact O-N 2.88Å; T138-I142 HydrophobicContact CG2-CG2 4.45Å; T138-I142 WeakPolarHBondContact O-CG1 3.3Å; T138-I142 PolarHBondContact O-N 3.26Å; T138-V183 HydrophobicContact CG2-CG2 4.14Å
139E97.3Very high96.6Very high90 Ų9058 Ų5842%0.42131%0.312SS..Hα-helixtrans-62.3-40.6-177.8-175.7173.5169.100112.3I137 V141 I142 N143I137-E139 VanDerWaalsContact C-N 3.31Å; I137-E139 PolarHBondContact O-N 3.37Å; E139-V141 VanDerWaalsContact C-N 3.32Å; E139-V141 PolarHBondContact O-N 2.82Å; E139-I142 WeakPolarHBondContact O-CG1 3.42Å; E139-N143 VanDerWaalsContact CG-ND2 3.33Å; E139-N143 WeakPolarHBondContact CG-ND2 3.38Å; E139-N143 WeakPolarHBondContact O-CB 3.47Å; E139-N143 PolarHBondContact O-N 3.04Å; E139-N143 PolarHBondContact O-ND2 3.31Å; E139-N143 PolarHBondContact O-OD1 3.46Å
140K97.9Very high96.6Very high155 Ų15555.8 Ų55.867%0.67431%0.306SS*.Hα-helixtrans-60.5-43.9176.6-179.4-176.6175.7-175.90111.1I137 T138 A144I137-K140 HydrophobicContact CB-CB 4.35Å; I137-K140 WeakPolarHBondContact O-CB 3.44Å; I137-K140 PolarHBondContact O-N 2.88Å; I137-K140 VanDerWaalsContact O-N 3.07Å; T138-K140 VanDerWaalsContact C-N 3.34Å; T138-K140 PolarHBondContact O-N 2.68Å; K140-A144 WeakPolarHBondContact O-CB 3.45Å; K140-A144 PolarHBondContact O-N 2.92Å; K140-A144 VanDerWaalsContact O-N 3.11Å
141V98Very high96.9Very high19 Ų1955.8 Ų55.812%0.11531%0.307CS..Hα-helixtrans-66.8-53.3-178.9174.20000111E128 E132 I137 T138 E139 N143 A144 Q145E128-V141 HydrophobicContact CB-CB 4.18Å; E128-V141 HydrophobicContact CB-CG1 4.06Å; E132-V141 HydrophobicContact CB-CG2 4.15Å; E132-V141 HydrophobicContact CG-CG2 4.13Å; I137-V141 HydrophobicContact CD1-CG2 4.31Å; I137-V141 HydrophobicContact CG1-CG2 4.38Å; I137-V141 PolarHBondContact O-N 2.74Å; I137-V141 VanDerWaalsContact O-N 3.08Å; T138-V141 PolarHBondContact O-N 2.88Å; E139-V141 VanDerWaalsContact C-N 3.32Å; E139-V141 PolarHBondContact O-N 2.82Å; V141-N143 VanDerWaalsContact C-N 3.31Å; V141-N143 PolarHBondContact O-N 3.34Å; V141-A144 PolarHBondContact O-N 2.74Å; V141-Q145 WeakPolarHBondContact O-CG 3.23Å; V141-Q145 PolarHBondContact O-N 2.8Å
142I97.4Very high97Very high1 Ų153.6 Ų53.61%0.00530%0.295CS..Hα-helixtrans-65.5-35.3-177.167.9-176.8000111.7I126 T138 E139 Q145 T146 Y163 V183I126-I142 HydrophobicContact CD1-CB 4.17Å; T138-I142 HydrophobicContact CG2-CG2 4.45Å; T138-I142 WeakPolarHBondContact O-CG1 3.3Å; T138-I142 PolarHBondContact O-N 3.26Å; E139-I142 WeakPolarHBondContact O-CG1 3.42Å; I142-Q145 PolarHBondContact O-N 3.48Å; I142-T146 VanDerWaalsContact O-CB 3.27Å; I142-T146 WeakPolarHBondContact O-CB 3.15Å; I142-T146 PolarHBondContact O-N 3.25Å; I142-T146 PolarHBondContact O-OG1 2.95Å; I142-Y163 HydrophobicContact CG2-CD2 4.38Å; I142-Y163 HydrophobicContact CG2-CE2 4.3Å; I142-V183 HydrophobicContact CD1-CG1 3.55Å
143N97.8Very high97Very high27 Ų2752.4 Ų52.414%0.14429%0.289CS..Hα-helixtrans-67.8-40.2177.1-71.5-7.8000111.1E139 V141 T146 K147 W190E139-N143 VanDerWaalsContact CG-ND2 3.33Å; E139-N143 WeakPolarHBondContact CG-ND2 3.38Å; E139-N143 WeakPolarHBondContact O-CB 3.47Å; E139-N143 PolarHBondContact O-N 3.04Å; E139-N143 PolarHBondContact O-ND2 3.31Å; E139-N143 PolarHBondContact O-OD1 3.46Å; V141-N143 VanDerWaalsContact C-N 3.31Å; V141-N143 PolarHBondContact O-N 3.34Å; N143-T146 PolarHBondContact O-N 2.98Å; N143-K147 WeakPolarHBondContact O-CB 3.37Å; N143-K147 PolarHBondContact O-N 3.38Å; N143-W190 VanDerWaalsContact OD1-CD1 3.32Å
144A97.5Very high96.9Very high49 Ų4957.9 Ų57.941%0.40532%0.315SS..Hα-helixtrans-62-49.7175.400000111.3K140 V141 T146 K147 H148K140-A144 WeakPolarHBondContact O-CB 3.45Å; K140-A144 PolarHBondContact O-N 2.92Å; K140-A144 VanDerWaalsContact O-N 3.11Å; V141-A144 PolarHBondContact O-N 2.74Å; A144-T146 PolarHBondContact O-N 3.48Å; A144-K147 WeakPolarHBondContact O-CB 3.42Å; A144-K147 PolarHBondContact O-N 3.19Å; A144-H148 PolarHBondContact O-CD2 3.28Å; A144-H148 PolarHBondContact O-N 2.9Å
145Q98.3Very high97.1Very high6 Ų655.2 Ų55.23%0.02831%0.306CS..Hα-helixtrans-61.4-43.2177.8-65.2174.8-1.800111.8I126 G127 V141 I142 K147 H148I126-Q145 HydrophobicContact CB-CB 4.23Å; I126-Q145 VanDerWaalsContact CB-OE1 3.22Å; I126-Q145 HydrophobicContact CG2-CB 3.75Å; G127-Q145 PolarHBondContact O-NE2 3.47Å; G127-Q145 VanDerWaalsContact O-NE2 3.13Å; G127-Q145 PolarHBondContact O-OE1 3.39Å; V141-Q145 WeakPolarHBondContact O-CG 3.23Å; V141-Q145 PolarHBondContact O-N 2.8Å; I142-Q145 PolarHBondContact O-N 3.48Å; Q145-K147 VanDerWaalsContact C-N 3.34Å; Q145-K147 PolarHBondContact O-N 3.46Å; Q145-H148 PolarHBondContact O-N 3.02Å
146T98.1Very high97.2Very high0 Ų052.4 Ų52.40%028%0.28CS..Hα-helixtrans-67-34.6179.3-53.10000112.1I126 I142 N143 A144 H148 F149 A150 L161 L187 W190I126-T146 VanDerWaalsContact CD1-OG1 3.27Å; I126-T146 WeakPolarHBondContact CD1-OG1 3.37Å; I142-T146 VanDerWaalsContact O-CB 3.27Å; I142-T146 WeakPolarHBondContact O-CB 3.15Å; I142-T146 PolarHBondContact O-N 3.25Å; I142-T146 PolarHBondContact O-OG1 2.95Å; N143-T146 PolarHBondContact O-N 2.98Å; A144-T146 PolarHBondContact O-N 3.48Å; T146-H148 VanDerWaalsContact C-N 3.28Å; T146-H148 PolarHBondContact O-N 3.46Å; T146-F149 WeakPolarHBondContact O-CB 3.36Å; T146-F149 PolarHBondContact O-N 2.9Å; T146-A150 PolarHBondContact O-N 2.89Å; T146-L161 HydrophobicContact CG2-CD1 4.46Å; T146-L187 HydrophobicContact CG2-CD1 3.96Å; T146-L187 WeakPolarHBondContact OG1-CD1 3.46Å; T146-W190 HydrophobicContact CG2-CE3 3.61Å; T146-W190 HydrophobicContact CG2-CH2 4.22Å; T146-W190 HydrophobicContact CG2-CZ3 3.44Å; T146-W190 VanDerWaalsContact CG2-CZ3 3.44Å
147K98.1Very high97.2Very high98 Ų9852.9 Ų52.943%0.42627%0.273SS..Hα-helixtrans-56.6-42.5175.3-172.4-171-175.4-41.70111.9N143 A144 Q145 F149 A150 D151 W190N143-K147 WeakPolarHBondContact O-CB 3.37Å; N143-K147 PolarHBondContact O-N 3.38Å; A144-K147 WeakPolarHBondContact O-CB 3.42Å; A144-K147 PolarHBondContact O-N 3.19Å; Q145-K147 VanDerWaalsContact C-N 3.34Å; Q145-K147 PolarHBondContact O-N 3.46Å; K147-F149 PolarHBondContact O-N 2.66Å; K147-A150 PolarHBondContact O-N 2.92Å; K147-A150 VanDerWaalsContact O-N 3.07Å; K147-D151 IonicContact NZ-OD1 3.92Å; K147-D151 PolarHBondContact NZ-OD1 2.88Å; K147-D151 IonicContact NZ-OD2 2.63Å; K147-D151 PolarHBondContact NZ-OD2 3.23Å; K147-D151 VanDerWaalsContact O-CG 3.26Å; K147-D151 PolarHBondContact O-N 2.77Å; K147-W190 HydrophobicContact CB-CH2 4.13Å; K147-W190 HydrophobicContact CB-CZ2 3.87Å; K147-W190 HydrophobicContact CG-CZ2 4.33Å
148H96.4Very high97.2Very high61 Ų6154.5 Ų54.528%0.28228%0.277SS..Hα-helixtrans-63.2-28.8178.2-72.6-76.1000112.9D105 A144 Q145 T146 N152D105-H148 HydrophobicContact CB-CB 4.07Å; D105-H148 WeakPolarHBondContact CB-CD2 3.33Å; A144-H148 PolarHBondContact O-CD2 3.28Å; A144-H148 PolarHBondContact O-N 2.9Å; Q145-H148 PolarHBondContact O-N 3.02Å; T146-H148 VanDerWaalsContact C-N 3.28Å; T146-H148 PolarHBondContact O-N 3.46Å; H148-N152 PolarHBondContact O-ND2 3.11Å
149F97Very high97.3Very high0 Ų053.5 Ų53.50%027%0.271CS..Hα-helixtrans-71.2-47.8169.9-56.4-22.4000111.2I108 A124 I126 T146 K147 D151 N152 I153 W156 L161I108-F149 HydrophobicContact CB-CE1 4.42Å; I108-F149 HydrophobicContact CG2-CE1 3.57Å; I108-F149 HydrophobicContact CG2-CZ 4.11Å; A124-F149 HydrophobicContact CB-CD2 3.87Å; A124-F149 HydrophobicContact CB-CE2 3.48Å; A124-F149 VanDerWaalsContact CB-CE2 3.48Å; A124-F149 HydrophobicContact CB-CG 4.5Å; A124-F149 HydrophobicContact CB-CZ 3.87Å; I126-F149 HydrophobicContact CG2-CD2 4.31Å; I126-F149 HydrophobicContact CG2-CE2 3.43Å; I126-F149 VanDerWaalsContact CG2-CE2 3.43Å; I126-F149 HydrophobicContact CG2-CZ 3.96Å; T146-F149 WeakPolarHBondContact O-CB 3.36Å; T146-F149 PolarHBondContact O-N 2.9Å; K147-F149 PolarHBondContact O-N 2.66Å; F149-D151 VanDerWaalsContact C-N 3.29Å; F149-D151 PolarHBondContact O-N 3.44Å; F149-N152 PolarHBondContact O-N 3.47Å; F149-N152 VanDerWaalsContact O-N 3.13Å; F149-I153 HydrophobicContact CB-CD1 3.9Å; F149-I153 VanDerWaalsContact O-CB 3.26Å; F149-I153 WeakPolarHBondContact O-CB 3.27Å; F149-I153 VanDerWaalsContact O-CG1 3.27Å; F149-I153 WeakPolarHBondContact O-CG1 3.34Å; F149-I153 PolarHBondContact O-N 2.96Å; F149-W156 HydrophobicContact CB-CH2 4.39Å; F149-L161 HydrophobicContact CD2-CD2 3.9Å; F149-L161 HydrophobicContact CE2-CD2 4.29Å
150A96.8Very high97.3Very high21 Ų2149.2 Ų49.217%0.17425%0.251CS..Hα-helixtrans-60.5-35179.200000113.8T146 K147 N152 W156 W190 V195T146-A150 PolarHBondContact O-N 2.89Å; K147-A150 PolarHBondContact O-N 2.92Å; K147-A150 VanDerWaalsContact O-N 3.07Å; A150-N152 VanDerWaalsContact C-N 3.29Å; A150-N152 PolarHBondContact O-N 2.9Å; A150-W156 HydrophobicContact CB-CZ2 4.1Å; A150-W190 HydrophobicContact CB-CH2 3.87Å; A150-W190 HydrophobicContact CB-CZ3 4.17Å; A150-V195 HydrophobicContact CB-CG2 3.96Å
151D97.4Very high97.4Very high77 Ų7741.9 Ų41.941%0.41222%0.219SC..Hα-helixtrans-66.1-33.9177.9-67.9-16.8000111.8K147 F149 K154K147-D151 IonicContact NZ-OD1 3.92Å; K147-D151 PolarHBondContact NZ-OD1 2.88Å; K147-D151 IonicContact NZ-OD2 2.63Å; K147-D151 PolarHBondContact NZ-OD2 3.23Å; K147-D151 VanDerWaalsContact O-CG 3.26Å; K147-D151 PolarHBondContact O-N 2.77Å; F149-D151 VanDerWaalsContact C-N 3.29Å; F149-D151 PolarHBondContact O-N 3.44Å; D151-K154 PolarHBondContact O-NZ 3.37Å
152N97.3Very high97.4Very high53 Ų5341 Ų4128%0.28321%0.214SC..Hα-helixtrans-98.9-33.8-173.3-73.8-81.8000113.7G109 A113 H148 F149 A150G109-N152 WeakPolarHBondContact O-CB 3.27Å; A113-N152 HydrophobicContact CB-CB 4.09Å; H148-N152 PolarHBondContact O-ND2 3.11Å; F149-N152 PolarHBondContact O-N 3.47Å; F149-N152 VanDerWaalsContact O-N 3.13Å; A150-N152 VanDerWaalsContact C-N 3.29Å; A150-N152 PolarHBondContact O-N 2.9Å
153I96.6Very high97.5Very high6 Ų640.9 Ų40.93%0.03121%0.213CC..  trans-88.4125.1-174.4-62.5177.9000110.5C112 L116 F149 D155 W156 V159C112-I153 HydrophobicContact CB-CD1 4.12Å; C112-I153 HydrophobicContact CB-CG1 4.34Å; L116-I153 HydrophobicContact CD1-CB 4.25Å; L116-I153 HydrophobicContact CD1-CD1 3.92Å; L116-I153 HydrophobicContact CD1-CG1 3.74Å; L116-I153 HydrophobicContact CD1-CG2 3.69Å; F149-I153 HydrophobicContact CB-CD1 3.9Å; F149-I153 VanDerWaalsContact O-CB 3.26Å; F149-I153 WeakPolarHBondContact O-CB 3.27Å; F149-I153 VanDerWaalsContact O-CG1 3.27Å; F149-I153 WeakPolarHBondContact O-CG1 3.34Å; F149-I153 PolarHBondContact O-N 2.96Å; I153-D155 VanDerWaalsContact CG2-O 3.29Å; I153-D155 WeakPolarHBondContact CG2-O 3.34Å; I153-W156 HydrophobicContact CG2-CD2 4.2Å; I153-W156 HydrophobicContact CG2-CG 4.12Å; I153-V159 HydrophobicContact CD1-CG2 4.04Å; I153-V159 HydrophobicContact CG2-CG2 4.09Å
154K93.2Very high97.3Very high177 Ų17740 Ų4077%0.7721%0.209SC*.SBendtrans-98.7-36.9176.9-52.2-53173.3-160.90113.1D151D151-K154 PolarHBondContact O-NZ 3.37Å
155D96Very high97.1Very high96 Ų9637.7 Ų37.751%0.51319%0.189SC..  trans-114.2119.9176-178.813.2000110.7I153 S157I153-D155 VanDerWaalsContact CG2-O 3.29Å; I153-D155 WeakPolarHBondContact CG2-O 3.34Å; D155-S157 WeakPolarHBondContact OD1-CB 3.42Å; D155-S157 PolarHBondContact OD1-N 2.99Å; D155-S157 PolarHBondContact OD1-OG 3.42Å; D155-S157 PolarHBondContact OD2-OG 2.78Å
156W98.1Very high96.8Very high11 Ų1139.1 Ų39.14%0.04220%0.198CC..  trans-94.2-1.8-179.4-72.976.1000113.3F149 A150 I153 K158 V159 L161 V195 V199 V203F149-W156 HydrophobicContact CB-CH2 4.39Å; A150-W156 HydrophobicContact CB-CZ2 4.1Å; I153-W156 HydrophobicContact CG2-CD2 4.2Å; I153-W156 HydrophobicContact CG2-CG 4.12Å; W156-K158 PolarHBondContact O-N 2.86Å; W156-K158 VanDerWaalsContact O-N 3.13Å; W156-V159 HydrophobicContact CE3-CB 4.03Å; W156-V159 HydrophobicContact CE3-CG1 3.86Å; W156-V159 HydrophobicContact CE3-CG2 4.42Å; W156-V159 HydrophobicContact CZ3-CG1 4.01Å; W156-V159 PolarHBondContact O-N 3Å; W156-L161 HydrophobicContact CZ3-CD1 4.03Å; W156-L161 HydrophobicContact CZ3-CD2 4.03Å; W156-L161 HydrophobicContact CZ3-CG 4.13Å; W156-V195 HydrophobicContact CZ2-CG1 4.47Å; W156-V195 HydrophobicContact CZ2-CG2 3.81Å; W156-V199 HydrophobicContact CB-CB 4.47Å; W156-V199 HydrophobicContact CB-CG1 3.61Å; W156-V199 HydrophobicContact CB-CG2 3.99Å; W156-V199 HydrophobicContact CD2-CG1 3.71Å; W156-V199 HydrophobicContact CE3-CG1 4Å; W156-V199 HydrophobicContact CG-CG1 3.55Å; W156-V199 HydrophobicContact CG-CG2 4.13Å; W156-V203 HydrophobicContact CE3-CG2 4.04Å; W156-V203 HydrophobicContact CZ3-CG2 4.4Å
157S96.9Very high96.4Very high76 Ų7640.5 Ų40.553%0.53120%0.203SC..THydrogen-bonded Turntrans-58.5-28.8-175.970.40000113.5D155D155-S157 WeakPolarHBondContact OD1-CB 3.42Å; D155-S157 PolarHBondContact OD1-N 2.99Å; D155-S157 PolarHBondContact OD1-OG 3.42Å; D155-S157 PolarHBondContact OD2-OG 2.78Å
158K97.6Very high95.7Very high100 Ų10035.8 Ų35.844%0.43518%0.183SC..THydrogen-bonded Turntrans-11221.4179.3-65-174.6172.9179.50113.7L116 G119 G121 V122 W156L116-K158 HydrophobicContact CD2-CB 3.99Å; G119-K158 PolarHBondContact O-NZ 3.11Å; G121-K158 CarbonylContact C-O 3.34Å; G121-K158 VanDerWaalsContact CA-O 3.27Å; G121-K158 WeakPolarHBondContact CA-O 3.46Å; V122-K158 PolarHBondContact N-O 2.97Å; W156-K158 PolarHBondContact O-N 2.86Å; W156-K158 VanDerWaalsContact O-N 3.13Å
159V98.8Very high95Very high1 Ų134.3 Ų34.31%0.00618%0.177CC..EExtended strand (participates in β ladder)trans-102.1140.7177.1-178.20000110.5L116 V122 I153 W156 L161 R204L116-V159 HydrophobicContact CD1-CG2 3.85Å; L116-V159 HydrophobicContact CD2-CG2 4.03Å; V122-V159 WeakPolarHBondContact O-CA 3.2Å; I153-V159 HydrophobicContact CD1-CG2 4.04Å; I153-V159 HydrophobicContact CG2-CG2 4.09Å; W156-V159 HydrophobicContact CE3-CB 4.03Å; W156-V159 HydrophobicContact CE3-CG1 3.86Å; W156-V159 HydrophobicContact CE3-CG2 4.42Å; W156-V159 HydrophobicContact CZ3-CG1 4.01Å; W156-V159 PolarHBondContact O-N 3Å; V159-L161 HydrophobicContact CG1-CD2 4.34Å; V159-R204 PolarHBondContact O-NH2 3.08Å; V159-R204 VanDerWaalsContact O-NH2 3.1Å
160V98.9Very high93.8Very high0 Ų038 Ų380%022%0.215CC..EExtended strand (participates in β ladder)trans-123.6127.1163.7-179.80000106.8F6 W89 V122 I123 A124 R204 I206F6-V160 HydrophobicContact CD1-CG1 4.2Å; F6-V160 HydrophobicContact CD2-CG2 4.06Å; F6-V160 HydrophobicContact CE1-CG1 4.38Å; F6-V160 HydrophobicContact CE1-CG2 4.45Å; F6-V160 HydrophobicContact CE2-CG2 3.97Å; F6-V160 HydrophobicContact CG-CG2 4.33Å; F6-V160 HydrophobicContact CZ-CG2 4.17Å; W89-V160 HydrophobicContact CH2-CG2 3.89Å; W89-V160 HydrophobicContact CZ3-CG2 3.88Å; V122-V160 PolarHBondContact O-N 3.18Å; I123-V160 CarbonylContact C-O 3.58Å; I123-V160 WeakPolarHBondContact CA-O 3.38Å; I123-V160 HydrophobicContact CG1-CB 4.36Å; A124-V160 PolarHBondContact N-O 3.39Å; V160-R204 HydrophobicContact CG1-CB 4.24Å; V160-R204 HydrophobicContact CG2-CB 4.44Å; V160-I206 HydrophobicContact CG1-CB 4.39Å; V160-I206 HydrophobicContact CG1-CD1 3.65Å; V160-I206 HydrophobicContact CG1-CG1 3.79Å; V160-I206 HydrophobicContact CG1-CG2 3.8Å
161L98.9Very high92.9Very high0 Ų040.7 Ų40.70%023%0.229CC..EExtended strand (participates in β ladder)trans-89.2125.2171.6-67.6178000108.7A124 T146 F149 W156 V159 L187 V191 V203 R204 I205 I206A124-L161 HydrophobicContact CB-CD2 4.26Å; T146-L161 HydrophobicContact CG2-CD1 4.46Å; F149-L161 HydrophobicContact CD2-CD2 3.9Å; F149-L161 HydrophobicContact CE2-CD2 4.29Å; W156-L161 HydrophobicContact CZ3-CD1 4.03Å; W156-L161 HydrophobicContact CZ3-CD2 4.03Å; W156-L161 HydrophobicContact CZ3-CG 4.13Å; V159-L161 HydrophobicContact CG1-CD2 4.34Å; L161-L187 HydrophobicContact CB-CD2 4.47Å; L161-L187 HydrophobicContact CD1-CD2 4.08Å; L161-L187 HydrophobicContact CD1-CG 4.35Å; L161-V191 HydrophobicContact CD1-CG2 4.11Å; L161-V203 HydrophobicContact CD1-CG2 4.46Å; L161-V203 HydrophobicContact CG-CG2 4.27Å; L161-R204 PolarHBondContact N-O 3.01Å; L161-I205 HydrophobicContact CB-CG1 4.45Å; L161-I205 HydrophobicContact CB-CG2 4.5Å; L161-I205 CarbonylContact O-C 3.57Å; L161-I205 WeakPolarHBondContact O-CA 3.49Å; L161-I206 WeakPolarHBondContact O-CG1 3.13Å; L161-I206 PolarHBondContact O-N 3.07Å
162A98.7Very high91.7Very high0 Ų040.1 Ų40.10%024%0.242CC..EExtended strand (participates in β ladder)trans-105.3108.7173.100000109.4I123 A124 C125 I126 E164 I206 L229I123-A162 HydrophobicContact CG2-CB 3.93Å; A124-A162 PolarHBondContact O-N 3.25Å; C125-A162 WeakPolarHBondContact CA-O 3.42Å; C125-A162 HydrophobicContact CB-CB 4.43Å; I126-A162 PolarHBondContact N-O 3.34Å; A162-E164 HydrophobicContact CB-CG 4.2Å; A162-I206 CarbonylContact C-O 3.6Å; A162-I206 WeakPolarHBondContact CA-O 3.43Å; A162-I206 HydrophobicContact CB-CD1 4.03Å; A162-I206 HydrophobicContact CB-CG1 3.71Å; A162-L229 HydrophobicContact CB-CB 4.38Å; A162-L229 HydrophobicContact CB-CD2 3.84Å
163Y98.4Very high90.7Very high0 Ų043.8 Ų43.80%026%0.255CS..EExtended strand (participates in β ladder)trans-84.2114.6170166.8-119.9000109.3E128 I142 P165 V183 H184 I206 Y207 G208E128-Y163 PolarHBondContact OE1-OH 2.79Å; E128-Y163 VanDerWaalsContact OE2-CE2 3.31Å; E128-Y163 WeakPolarHBondContact OE2-CE2 3.28Å; E128-Y163 PolarHBondContact OE2-OH 3.15Å; I142-Y163 HydrophobicContact CG2-CD2 4.38Å; I142-Y163 HydrophobicContact CG2-CE2 4.3Å; Y163-P165 HydrophobicContact CE1-CG 4.08Å; Y163-P165 HydrophobicContact CE2-CB 4.4Å; Y163-P165 HydrophobicContact CE2-CG 4.44Å; Y163-V183 HydrophobicContact CD1-CB 4.1Å; Y163-V183 HydrophobicContact CD1-CG1 3.72Å; Y163-V183 HydrophobicContact CD2-CG1 3.78Å; Y163-V183 HydrophobicContact CE1-CB 3.65Å; Y163-V183 HydrophobicContact CE1-CG1 3.56Å; Y163-V183 HydrophobicContact CE1-CG2 4.05Å; Y163-V183 HydrophobicContact CE2-CB 4.49Å; Y163-V183 HydrophobicContact CE2-CG1 3.64Å; Y163-V183 HydrophobicContact CG-CG1 3.82Å; Y163-H184 AromaticContact CD1-CD2 3.7Å; Y163-H184 AromaticContact CD1-NE2 3.69Å; Y163-I206 PolarHBondContact N-O 3.17Å; Y163-Y207 HydrophobicContact CD1-CD2 4.12Å; Y163-Y207 HydrophobicContact CE1-CD2 4.34Å; Y163-Y207 HydrophobicContact CE1-CE2 4.47Å; Y163-G208 PolarHBondContact O-N 3.48Å
164E95.1Very high89.7Confident9 Ų945.8 Ų45.84%0.04227%0.268CS..  trans-128.489.3-175-52.4-167.796.700110.9H94 C125 I126 G127 A162 V166 I169 G208 L229H94-E164 IonicContact CD2-OE1 3.7Å; H94-E164 IonicContact CD2-OE2 2.81Å; H94-E164 PolarHBondContact CD2-OE2 3.49Å; H94-E164 VanDerWaalsContact CD2-OE2 3.26Å; H94-E164 IonicContact NE2-OE1 2.72Å; H94-E164 IonicContact NE2-OE2 3.63Å; C125-E164 VanDerWaalsContact CB-OE2 3.31Å; C125-E164 WeakPolarHBondContact CB-OE2 3.26Å; C125-E164 PolarHBondContact SG-OE2 3.07Å; I126-E164 PolarHBondContact O-N 3.07Å; G127-E164 WeakPolarHBondContact CA-O 3.42Å; A162-E164 HydrophobicContact CB-CG 4.2Å; E164-V166 PolarHBondContact O-N 2.93Å; E164-I169 HydrophobicContact CB-CD1 3.86Å; E164-I169 HydrophobicContact CB-CG1 4.47Å; E164-G208 WeakPolarHBondContact CA-O 3.37Å; E164-G208 WeakPolarHBondContact CB-O 3.41Å; E164-L229 WeakPolarHBondContact OE1-CD2 3.33Å
165P92.6Very high89.5Confident0 Ų037.5 Ų37.50%023%0.232CC..  trans-58.1118.1175.514.4-19.5000109.1Y163 W167 A168 Y207Y163-P165 HydrophobicContact CE1-CG 4.08Å; Y163-P165 HydrophobicContact CE2-CB 4.4Å; Y163-P165 HydrophobicContact CE2-CG 4.44Å; P165-W167 HydrophobicContact CB-CD2 4.26Å; P165-W167 VanDerWaalsContact CB-CE2 3.45Å; P165-W167 HydrophobicContact CB-CG 4.47Å; P165-W167 HydrophobicContact CB-CZ2 3.66Å; P165-W167 VanDerWaalsContact CB-NE1 3.25Å; P165-W167 HydrophobicContact CG-CZ2 4.07Å; P165-W167 PolarHBondContact O-N 3.2Å; P165-W167 VanDerWaalsContact O-N 3.1Å; P165-A168 HydrophobicContact CB-CB 4.28Å; P165-A168 HydrophobicContact CG-CB 3.9Å; P165-A168 WeakPolarHBondContact O-CA 3.47Å; P165-A168 WeakPolarHBondContact O-CB 3.31Å; P165-A168 PolarHBondContact O-N 3.17Å; P165-Y207 HydrophobicContact CG-CE2 3.91Å
166V91.3Very high89.3Confident36 Ų3635.4 Ų35.422%0.21823%0.225CC..G310 helixtrans-60.2-34-168-179.70000110.9E128 E164 A168 I169E128-V166 WeakPolarHBondContact O-CB 3.14Å; E128-V166 WeakPolarHBondContact O-CG2 3.49Å; E128-V166 PolarHBondContact O-N 3.4Å; E164-V166 PolarHBondContact O-N 2.93Å; V166-A168 PolarHBondContact O-N 3.12Å; V166-I169 PolarHBondContact O-N 3.43Å
167W89.9Confident89.2Confident28 Ų2835.8 Ų35.811%0.10623%0.229CC..G310 helixtrans-69.1-13.8177.959.4-94.2000114.2E128 L130 R133 P165 T171 K173 A175E128-W167 PolarHBondContact OE1-NE1 3.37Å; L130-W167 HydrophobicContact CB-CB 3.79Å; L130-W167 HydrophobicContact CB-CG 4.42Å; L130-W167 HydrophobicContact CD1-CB 3.99Å; L130-W167 HydrophobicContact CD1-CG 4.06Å; L130-W167 HydrophobicContact CG-CB 4.38Å; R133-W167 VanDerWaalsContact CZ-CZ2 3.45Å; P165-W167 HydrophobicContact CB-CD2 4.26Å; P165-W167 VanDerWaalsContact CB-CE2 3.45Å; P165-W167 HydrophobicContact CB-CG 4.47Å; P165-W167 HydrophobicContact CB-CZ2 3.66Å; P165-W167 VanDerWaalsContact CB-NE1 3.25Å; P165-W167 HydrophobicContact CG-CZ2 4.07Å; P165-W167 PolarHBondContact O-N 3.2Å; P165-W167 VanDerWaalsContact O-N 3.1Å; W167-T171 VanDerWaalsContact O-CG2 3.32Å; W167-T171 WeakPolarHBondContact O-CG2 3.27Å; W167-T171 PolarHBondContact O-OG1 3.41Å; W167-K173 HydrophobicContact CE3-CB 4.47Å; W167-K173 HydrophobicContact CZ3-CB 4.4Å; W167-A175 HydrophobicContact CH2-CB 3.79Å; W167-A175 HydrophobicContact CZ2-CB 4.25Å
168A84.6Confident89.2Confident0 Ų035.6 Ų35.60%023%0.232CC..G310 helixtrans-98.5-2175.300000113.3P165 V166 G170 K173 G209 S210P165-A168 HydrophobicContact CB-CB 4.28Å; P165-A168 HydrophobicContact CG-CB 3.9Å; P165-A168 WeakPolarHBondContact O-CA 3.47Å; P165-A168 WeakPolarHBondContact O-CB 3.31Å; P165-A168 PolarHBondContact O-N 3.17Å; V166-A168 PolarHBondContact O-N 3.12Å; A168-G170 PolarHBondContact O-N 3.32Å; A168-K173 WeakPolarHBondContact CA-O 3.41Å; A168-K173 VanDerWaalsContact CB-O 3.29Å; A168-K173 WeakPolarHBondContact CB-O 3.26Å; A168-G209 CarbonylContact O-C 3.47Å; A168-S210 WeakPolarHBondContact O-CB 3.13Å; A168-S210 PolarHBondContact O-N 3.49Å; A168-S210 VanDerWaalsContact O-N 3.17Å; A168-S210 PolarHBondContact O-OG 2.77Å
169I80.3Confident89.1Confident29 Ų2934.2 Ų34.215%0.14923%0.227CC..SBendtrans-89.8110.3-176.2-58.3173.4000109.8S95 E164 V166 T171S95-I169 WeakPolarHBondContact OG-CD1 3.32Å; E164-I169 HydrophobicContact CB-CD1 3.86Å; E164-I169 HydrophobicContact CB-CG1 4.47Å; V166-I169 PolarHBondContact O-N 3.43Å; I169-T171 PolarHBondContact O-N 3.49Å
170G71.9Confident89Confident78 Ų7834.2 Ų34.280%0.80423%0.227SC*.SBendtrans72.16.1174.500000115A168A168-G170 PolarHBondContact O-N 3.32Å
171T77.9Confident88.9Confident77 Ų7735.8 Ų35.847%0.47223%0.234SC..SBendtrans-93.3-10.7-179.560.50000113.4W167 I169 K173W167-T171 VanDerWaalsContact O-CG2 3.32Å; W167-T171 WeakPolarHBondContact O-CG2 3.27Å; W167-T171 PolarHBondContact O-OG1 3.41Å; I169-T171 PolarHBondContact O-N 3.49Å; T171-K173 PolarHBondContact O-N 3.15Å; T171-K173 PolarHBondContact OG1-N 3.48Å
172G71.6Confident88.9Confident65 Ų6539.4 Ų39.467%0.6725%0.253SS*.SBendtrans72.3-1.6-170.300000113.8
173K76.6Confident88.8Confident131 Ų13139.7 Ų39.757%0.5726%0.255SS*.  trans-85.8128.8168.7-62.2-175.3178.7-177.70108.5W167 A168 T171 S210W167-K173 HydrophobicContact CE3-CB 4.47Å; W167-K173 HydrophobicContact CZ3-CB 4.4Å; A168-K173 WeakPolarHBondContact CA-O 3.41Å; A168-K173 VanDerWaalsContact CB-O 3.29Å; A168-K173 WeakPolarHBondContact CB-O 3.26Å; T171-K173 PolarHBondContact O-N 3.15Å; T171-K173 PolarHBondContact OG1-N 3.48Å; K173-S210 WeakPolarHBondContact O-CB 3.45Å; K173-S210 PolarHBondContact O-OG 3.27Å
174T77.2Confident88.9Confident48 Ų4839.7 Ų39.729%0.29426%0.255SS..  trans-114.1137.3176.8-52.10000107.9Y207 G209 S210 L219T174-Y207 HydrophobicContact CG2-CE1 4.36Å; T174-G209 WeakPolarHBondContact CG2-O 3.21Å; T174-S210 VanDerWaalsContact OG1-CB 3.26Å; T174-S210 WeakPolarHBondContact OG1-CB 3.36Å; T174-S210 PolarHBondContact OG1-O 3.15Å; T174-L219 HydrophobicContact CG2-CD1 4.13Å
175A87.4Confident89Confident2 Ų241.8 Ų41.82%0.01727%0.267CS..  trans-59.9141168.800000109.5W167 Q179 Y207W167-A175 HydrophobicContact CH2-CB 3.79Å; W167-A175 HydrophobicContact CZ2-CB 4.25Å; A175-Q179 HydrophobicContact CB-CB 4.19Å; A175-Y207 HydrophobicContact CB-CE2 3.91Å; A175-Y207 WeakPolarHBondContact CB-OH 3.47Å; A175-Y207 PolarHBondContact N-OH 3.36Å
176S93.3Very high89.3Confident53 Ų5344.8 Ų44.837%0.37128%0.28SS..  trans-63.4153.8171.871.90000109.6A178 Q179 A180S176-A178 PolarHBondContact O-N 3.42Å; S176-Q179 WeakPolarHBondContact O-CA 3.34Å; S176-Q179 WeakPolarHBondContact O-CB 3.49Å; S176-Q179 PolarHBondContact O-N 3.07Å; S176-Q179 VanDerWaalsContact OG-CG 3.26Å; S176-Q179 WeakPolarHBondContact OG-CG 3.44Å; S176-Q179 PolarHBondContact OG-N 3.47Å; S176-A180 PolarHBondContact O-N 3.14Å
177P95.4Very high89.6Confident19 Ų1943.1 Ų43.112%0.12327%0.27CS..Hα-helixtrans-56.8-36179.3-29.738.8000113.7Q179 A180 Q181 E218 L219 M222P177-Q179 PolarHBondContact O-N 3.16Å; P177-A180 PolarHBondContact O-N 3.21Å; P177-Q181 VanDerWaalsContact O-CB 3.28Å; P177-Q181 WeakPolarHBondContact O-CB 3.39Å; P177-Q181 PolarHBondContact O-N 3.48Å; P177-E218 HydrophobicContact CB-CG 4.23Å; P177-E218 HydrophobicContact CG-CB 4.16Å; P177-E218 HydrophobicContact CG-CG 3.71Å; P177-L219 HydrophobicContact CB-CD2 4.19Å; P177-L219 HydrophobicContact CG-CD2 4.05Å; P177-L219 HydrophobicContact CG-CG 4.21Å; P177-M222 HydrophobicContact CB-CE 3.66Å; P177-M222 HydrophobicContact CB-CG 3.9Å; P177-M222 HydrophobicContact CB-SD 3.88Å
178A96.7Very high90.1Very high72 Ų7242.6 Ų42.660%0.59527%0.268SS*.Hα-helixtrans-62.7-39.617300000112.9S176 Q181 D182S176-A178 PolarHBondContact O-N 3.42Å; A178-Q181 PolarHBondContact O-N 3.25Å; A178-D182 WeakPolarHBondContact O-CB 3.36Å; A178-D182 PolarHBondContact O-N 3.48Å
179Q95.1Very high90.7Very high71 Ų7147.8 Ų47.833%0.33229%0.292SS..Hα-helixtrans-67.6-41176.4-72.6174.3-11.600111.9R133 A175 S176 P177 V183R133-Q179 VanDerWaalsContact NH1-OE1 3.14Å; A175-Q179 HydrophobicContact CB-CB 4.19Å; S176-Q179 WeakPolarHBondContact O-CA 3.34Å; S176-Q179 WeakPolarHBondContact O-CB 3.49Å; S176-Q179 PolarHBondContact O-N 3.07Å; S176-Q179 VanDerWaalsContact OG-CG 3.26Å; S176-Q179 WeakPolarHBondContact OG-CG 3.44Å; S176-Q179 PolarHBondContact OG-N 3.47Å; P177-Q179 PolarHBondContact O-N 3.16Å; Q179-V183 PolarHBondContact O-N 3.06Å
180A96.3Very high91.6Very high0 Ų048 Ų480%029%0.291CS..Hα-helixtrans-64.4-45.6174.900000111.2S176 P177 D182 V183 H184 Y207 L219 V225S176-A180 PolarHBondContact O-N 3.14Å; P177-A180 PolarHBondContact O-N 3.21Å; A180-D182 PolarHBondContact O-N 3.35Å; A180-V183 PolarHBondContact O-N 3.41Å; A180-H184 WeakPolarHBondContact O-CB 3.19Å; A180-H184 PolarHBondContact O-CD2 3.43Å; A180-H184 PolarHBondContact O-N 3.33Å; A180-Y207 HydrophobicContact CB-CD2 3.92Å; A180-Y207 HydrophobicContact CB-CE2 4.19Å; A180-Y207 HydrophobicContact CB-CG 4.39Å; A180-L219 HydrophobicContact CB-CD2 3.97Å; A180-V225 HydrophobicContact CB-CG2 4.47Å
181Q98.1Very high92.9Very high34 Ų3444.3 Ų44.316%0.15925%0.253CS..Hα-helixtrans-60.9-44.2178.5174.756.554.600112.7P177 A178 V183 H184 D185 M222 D224P177-Q181 VanDerWaalsContact O-CB 3.28Å; P177-Q181 WeakPolarHBondContact O-CB 3.39Å; P177-Q181 PolarHBondContact O-N 3.48Å; A178-Q181 PolarHBondContact O-N 3.25Å; Q181-V183 VanDerWaalsContact C-N 3.34Å; Q181-V183 PolarHBondContact O-N 3.38Å; Q181-H184 PolarHBondContact O-N 3.36Å; Q181-D185 WeakPolarHBondContact O-CB 3.28Å; Q181-D185 PolarHBondContact O-N 3.19Å; Q181-M222 HydrophobicContact CB-CB 4.17Å; Q181-M222 HydrophobicContact CB-CG 4.14Å; Q181-M222 HydrophobicContact CB-SD 3.96Å; Q181-M222 HydrophobicContact CG-SD 4.4Å; Q181-D224 PolarHBondContact NE2-OD2 2.7Å
182D98Very high93.8Very high75 Ų7545.5 Ų45.540%0.40125%0.251SS..Hα-helixtrans-58.2-46.2178.1176.667.4000111.6A178 A180 K186A178-D182 WeakPolarHBondContact O-CB 3.36Å; A178-D182 PolarHBondContact O-N 3.48Å; A180-D182 PolarHBondContact O-N 3.35Å; D182-K186 VanDerWaalsContact CG-NZ 3.32Å; D182-K186 WeakPolarHBondContact O-CG 3.31Å; D182-K186 PolarHBondContact O-N 2.93Å; D182-K186 VanDerWaalsContact O-N 3.1Å; D182-K186 VanDerWaalsContact OD1-CE 3.27Å; D182-K186 WeakPolarHBondContact OD1-CE 3.46Å; D182-K186 IonicContact OD1-NZ 3.66Å; D182-K186 PolarHBondContact OD1-NZ 2.99Å; D182-K186 VanDerWaalsContact OD1-NZ 3.11Å; D182-K186 IonicContact OD2-NZ 2.72Å; D182-K186 PolarHBondContact OD2-NZ 3.36Å
183V97.9Very high95.1Very high7 Ų746.3 Ų46.34%0.04225%0.252CS..Hα-helixtrans-68.8-41.3179.6176.60000112T138 I142 Y163 Q179 A180 Q181 K186 L187T138-V183 HydrophobicContact CG2-CG2 4.14Å; I142-V183 HydrophobicContact CD1-CG1 3.55Å; Y163-V183 HydrophobicContact CD1-CB 4.1Å; Y163-V183 HydrophobicContact CD1-CG1 3.72Å; Y163-V183 HydrophobicContact CD2-CG1 3.78Å; Y163-V183 HydrophobicContact CE1-CB 3.65Å; Y163-V183 HydrophobicContact CE1-CG1 3.56Å; Y163-V183 HydrophobicContact CE1-CG2 4.05Å; Y163-V183 HydrophobicContact CE2-CB 4.49Å; Y163-V183 HydrophobicContact CE2-CG1 3.64Å; Y163-V183 HydrophobicContact CG-CG1 3.82Å; Q179-V183 PolarHBondContact O-N 3.06Å; A180-V183 PolarHBondContact O-N 3.41Å; Q181-V183 VanDerWaalsContact C-N 3.34Å; Q181-V183 PolarHBondContact O-N 3.38Å; V183-K186 PolarHBondContact O-N 2.9Å; V183-L187 VanDerWaalsContact O-CB 3.32Å; V183-L187 WeakPolarHBondContact O-CB 3.29Å; V183-L187 PolarHBondContact O-N 3.12Å
184H98.6Very high96.2Very high0 Ų044.5 Ų44.50%025%0.248CC..Hα-helixtrans-64.7-40.7178-81.1-130.4000112.5Y163 A180 Q181 L187 R188 I205 D224Y163-H184 AromaticContact CD1-CD2 3.7Å; Y163-H184 AromaticContact CD1-NE2 3.69Å; A180-H184 WeakPolarHBondContact O-CB 3.19Å; A180-H184 PolarHBondContact O-CD2 3.43Å; A180-H184 PolarHBondContact O-N 3.33Å; Q181-H184 PolarHBondContact O-N 3.36Å; H184-L187 PolarHBondContact O-N 3.36Å; H184-R188 WeakPolarHBondContact O-CB 3.35Å; H184-R188 PolarHBondContact O-N 3.15Å; H184-I205 HydrophobicContact CB-CG2 4.49Å; H184-I205 PolarHBondContact CE1-O 3.36Å; H184-I205 WeakPolarHBondContact ND1-CG2 3.49Å; H184-I205 PolarHBondContact ND1-O 3.39Å; H184-D224 HydrophobicContact CB-CB 3.82Å; H184-D224 PolarHBondContact ND1-O 2.92Å
185D98.6Very high97.2Very high52 Ų5244.5 Ų44.528%0.27825%0.248SC..Hα-helixtrans-62.5-49.8176179.655.1000110.8Q181 L187 R188 Q189Q181-D185 WeakPolarHBondContact O-CB 3.28Å; Q181-D185 PolarHBondContact O-N 3.19Å; D185-L187 VanDerWaalsContact C-N 3.34Å; D185-L187 PolarHBondContact O-N 2.82Å; D185-R188 PolarHBondContact O-N 3.29Å; D185-R188 VanDerWaalsContact O-N 3.15Å; D185-Q189 WeakPolarHBondContact O-CG 3.27Å; D185-Q189 PolarHBondContact O-N 2.85Å; D185-Q189 PolarHBondContact OD1-NE2 2.98Å; D185-Q189 PolarHBondContact OD2-NE2 3.1Å
186K98.4Very high97.7Very high64 Ų6446.5 Ų46.528%0.27826%0.262SS..Hα-helixtrans-58.4-43.9175.8-74170179.1163.50112.5D182 V183 R188 Q189 W190D182-K186 VanDerWaalsContact CG-NZ 3.32Å; D182-K186 WeakPolarHBondContact O-CG 3.31Å; D182-K186 PolarHBondContact O-N 2.93Å; D182-K186 VanDerWaalsContact O-N 3.1Å; D182-K186 VanDerWaalsContact OD1-CE 3.27Å; D182-K186 WeakPolarHBondContact OD1-CE 3.46Å; D182-K186 IonicContact OD1-NZ 3.66Å; D182-K186 PolarHBondContact OD1-NZ 2.99Å; D182-K186 VanDerWaalsContact OD1-NZ 3.11Å; D182-K186 IonicContact OD2-NZ 2.72Å; D182-K186 PolarHBondContact OD2-NZ 3.36Å; V183-K186 PolarHBondContact O-N 2.9Å; K186-R188 VanDerWaalsContact C-N 3.33Å; K186-R188 PolarHBondContact O-N 3.43Å; K186-Q189 PolarHBondContact O-N 2.93Å; K186-W190 WeakPolarHBondContact O-CB 3.36Å; K186-W190 PolarHBondContact O-N 3.42Å
187L98.4Very high97.9Very high0 Ų048.9 Ų48.90%027%0.267CS..Hα-helixtrans-63.6-40.6177.4-173.963.3000111.5I126 T146 L161 V183 H184 D185 W190 V191 I205I126-L187 HydrophobicContact CD1-CD1 3.85Å; I126-L187 HydrophobicContact CD1-CD2 3.64Å; I126-L187 HydrophobicContact CD1-CG 4.42Å; T146-L187 HydrophobicContact CG2-CD1 3.96Å; T146-L187 WeakPolarHBondContact OG1-CD1 3.46Å; L161-L187 HydrophobicContact CB-CD2 4.47Å; L161-L187 HydrophobicContact CD1-CD2 4.08Å; L161-L187 HydrophobicContact CD1-CG 4.35Å; V183-L187 VanDerWaalsContact O-CB 3.32Å; V183-L187 WeakPolarHBondContact O-CB 3.29Å; V183-L187 PolarHBondContact O-N 3.12Å; H184-L187 PolarHBondContact O-N 3.36Å; D185-L187 VanDerWaalsContact C-N 3.34Å; D185-L187 PolarHBondContact O-N 2.82Å; L187-W190 WeakPolarHBondContact O-CB 3.23Å; L187-W190 PolarHBondContact O-N 3.06Å; L187-V191 WeakPolarHBondContact O-CG2 3.37Å; L187-V191 PolarHBondContact O-N 3.04Å; L187-I205 HydrophobicContact CB-CD1 4.28Å; L187-I205 HydrophobicContact CD2-CD1 4.15Å; L187-I205 HydrophobicContact CD2-CG2 3.72Å; L187-I205 HydrophobicContact CG-CD1 4.16Å
188R98.6Very high98Very high17 Ų1751.4 Ų51.46%0.06429%0.289CS..Hα-helixtrans-64.9-41.1175.8-165.7177.4-56.8-74.3-4.4111.7R3 H184 D185 K186 W190 V191 K192 A200 V203 I205 D224 D226R3-R188 VanDerWaalsContact CZ-CZ 3.49Å; H184-R188 WeakPolarHBondContact O-CB 3.35Å; H184-R188 PolarHBondContact O-N 3.15Å; D185-R188 PolarHBondContact O-N 3.29Å; D185-R188 VanDerWaalsContact O-N 3.15Å; K186-R188 VanDerWaalsContact C-N 3.33Å; K186-R188 PolarHBondContact O-N 3.43Å; R188-W190 VanDerWaalsContact C-N 3.33Å; R188-V191 PolarHBondContact O-N 3.1Å; R188-K192 WeakPolarHBondContact O-CB 3.41Å; R188-K192 PolarHBondContact O-N 3.04Å; R188-A200 HydrophobicContact CG-CB 4.14Å; R188-A200 WeakPolarHBondContact CG-O 3.07Å; R188-A200 PolarHBondContact NH1-O 2.89Å; R188-V203 PolarHBondContact NH1-O 3.43Å; R188-V203 VanDerWaalsContact NH1-O 3.1Å; R188-I205 HydrophobicContact CB-CD1 3.91Å; R188-I205 HydrophobicContact CG-CD1 4.49Å; R188-D224 WeakPolarHBondContact CD-OD1 3.27Å; R188-D224 IonicContact CZ-OD1 2.71Å; R188-D224 IonicContact NE-OD1 3.97Å; R188-D224 PolarHBondContact NE-OD1 2.88Å; R188-D224 PolarHBondContact NH2-O 3.46Å; R188-D224 VanDerWaalsContact NH2-O 3.13Å; R188-D224 IonicContact NH2-OD1 3.77Å; R188-D226 IonicContact CZ-OD2 3.76Å; R188-D226 IonicContact NH1-OD2 2.74Å; R188-D226 IonicContact NH2-OD1 3.58Å; R188-D226 IonicContact NH2-OD2 2.68Å; R188-D226 PolarHBondContact NH2-OD2 3.19Å
189Q98.6Very high98.1Very high109 Ų10949 Ų4951%0.50927%0.267SS..Hα-helixtrans-61.8-41.9173.6-68.9176.724.400111.5D185 K186 K192 A193D185-Q189 WeakPolarHBondContact O-CG 3.27Å; D185-Q189 PolarHBondContact O-N 2.85Å; D185-Q189 PolarHBondContact OD1-NE2 2.98Å; D185-Q189 PolarHBondContact OD2-NE2 3.1Å; K186-Q189 PolarHBondContact O-N 2.93Å; Q189-K192 WeakPolarHBondContact O-CB 3.41Å; Q189-K192 PolarHBondContact O-N 3.5Å; Q189-A193 PolarHBondContact O-N 3.48Å
190W98.6Very high98.2Very high34 Ų3445.7 Ų45.713%0.12925%0.252CS..Hα-helixtrans-60.7-47.4175.2-172.294.3000111.5N143 T146 K147 A150 K186 L187 R188 K192 A193 N194 V195N143-W190 VanDerWaalsContact OD1-CD1 3.32Å; T146-W190 HydrophobicContact CG2-CE3 3.61Å; T146-W190 HydrophobicContact CG2-CH2 4.22Å; T146-W190 HydrophobicContact CG2-CZ3 3.44Å; T146-W190 VanDerWaalsContact CG2-CZ3 3.44Å; K147-W190 HydrophobicContact CB-CH2 4.13Å; K147-W190 HydrophobicContact CB-CZ2 3.87Å; K147-W190 HydrophobicContact CG-CZ2 4.33Å; A150-W190 HydrophobicContact CB-CH2 3.87Å; A150-W190 HydrophobicContact CB-CZ3 4.17Å; K186-W190 WeakPolarHBondContact O-CB 3.36Å; K186-W190 PolarHBondContact O-N 3.42Å; L187-W190 WeakPolarHBondContact O-CB 3.23Å; L187-W190 PolarHBondContact O-N 3.06Å; R188-W190 VanDerWaalsContact C-N 3.33Å; W190-K192 VanDerWaalsContact C-N 3.3Å; W190-K192 PolarHBondContact O-N 2.63Å; W190-A193 PolarHBondContact O-N 2.94Å; W190-N194 HydrophobicContact CD2-CB 4.2Å; W190-N194 HydrophobicContact CE3-CB 4.19Å; W190-N194 HydrophobicContact CH2-CB 3.7Å; W190-N194 HydrophobicContact CZ2-CB 3.77Å; W190-N194 HydrophobicContact CZ3-CB 3.94Å; W190-N194 PolarHBondContact NE1-ND2 3.26Å; W190-N194 WeakPolarHBondContact O-CB 3.47Å; W190-N194 PolarHBondContact O-N 3.12Å; W190-N194 PolarHBondContact O-ND2 3.41Å; W190-V195 HydrophobicContact CZ3-CG2 4.36Å
191V98.6Very high98.3Very high0 Ų049.6 Ų49.60%027%0.273CS..Hα-helixtrans-61.7-39.1176.7173.60000111L161 L187 R188 A193 V195 S196 V199 A200 V203L161-V191 HydrophobicContact CD1-CG2 4.11Å; L187-V191 WeakPolarHBondContact O-CG2 3.37Å; L187-V191 PolarHBondContact O-N 3.04Å; R188-V191 PolarHBondContact O-N 3.1Å; V191-A193 VanDerWaalsContact C-N 3.35Å; V191-A193 PolarHBondContact O-N 2.75Å; V191-V195 HydrophobicContact CG1-CB 4.16Å; V191-V195 HydrophobicContact CG1-CG2 4.24Å; V191-V195 WeakPolarHBondContact O-CA 3.31Å; V191-V195 WeakPolarHBondContact O-CB 3.39Å; V191-V195 PolarHBondContact O-N 3.36Å; V191-S196 PolarHBondContact O-N 2.77Å; V191-S196 VanDerWaalsContact O-N 3.13Å; V191-V199 HydrophobicContact CG1-CB 4.29Å; V191-V199 HydrophobicContact CG1-CG1 3.68Å; V191-A200 HydrophobicContact CB-CB 4.3Å; V191-A200 HydrophobicContact CG1-CB 4.02Å; V191-V203 HydrophobicContact CG1-CG1 4.27Å
192K98.6Very high98.3Very high102 Ų10251.3 Ų51.344%0.44329%0.289SS..Hα-helixtrans-61-44.7176.6175.1165.1172.9165.30111.5R188 Q189 W190 S196 E197 A200R188-K192 WeakPolarHBondContact O-CB 3.41Å; R188-K192 PolarHBondContact O-N 3.04Å; Q189-K192 WeakPolarHBondContact O-CB 3.41Å; Q189-K192 PolarHBondContact O-N 3.5Å; W190-K192 VanDerWaalsContact C-N 3.3Å; W190-K192 PolarHBondContact O-N 2.63Å; K192-S196 CarbonylContact O-C 3.5Å; K192-E197 HydrophobicContact CD-CB 4.39Å; K192-E197 HydrophobicContact CD-CG 4.36Å; K192-E197 WeakPolarHBondContact CE-OE1 3.09Å; K192-E197 HydrophobicContact CG-CB 4.18Å; K192-E197 IonicContact NZ-OE1 2.75Å; K192-E197 PolarHBondContact NZ-OE1 3.19Å; K192-E197 IonicContact NZ-OE2 3.81Å; K192-A200 HydrophobicContact CB-CB 3.6Å
193A98.5Very high98.3Very high82 Ų8247.9 Ų47.968%0.67827%0.27SS*.Hα-helixtrans-76.1-34.7-177.100000113.7Q189 W190 V191Q189-A193 PolarHBondContact O-N 3.48Å; W190-A193 PolarHBondContact O-N 2.94Å; V191-A193 VanDerWaalsContact C-N 3.35Å; V191-A193 PolarHBondContact O-N 2.75Å
194N98.3Very high98.4Very high94 Ų9448.6 Ų48.650%0.50327%0.272SS..Hα-helixtrans-107.4-15.2-169.6-64.6-87.1000114.2W190W190-N194 HydrophobicContact CD2-CB 4.2Å; W190-N194 HydrophobicContact CE3-CB 4.19Å; W190-N194 HydrophobicContact CH2-CB 3.7Å; W190-N194 HydrophobicContact CZ2-CB 3.77Å; W190-N194 HydrophobicContact CZ3-CB 3.94Å; W190-N194 PolarHBondContact NE1-ND2 3.26Å; W190-N194 WeakPolarHBondContact O-CB 3.47Å; W190-N194 PolarHBondContact O-N 3.12Å; W190-N194 PolarHBondContact O-ND2 3.41Å
195V98.1Very high98.4Very high47 Ų4748.6 Ų48.629%0.28527%0.272SS..THydrogen-bonded Turntrans-118.4-72.2177.4-173.10000110A150 W156 W190 V191 V199A150-V195 HydrophobicContact CB-CG2 3.96Å; W156-V195 HydrophobicContact CZ2-CG1 4.47Å; W156-V195 HydrophobicContact CZ2-CG2 3.81Å; W190-V195 HydrophobicContact CZ3-CG2 4.36Å; V191-V195 HydrophobicContact CG1-CB 4.16Å; V191-V195 HydrophobicContact CG1-CG2 4.24Å; V191-V195 WeakPolarHBondContact O-CA 3.31Å; V191-V195 WeakPolarHBondContact O-CB 3.39Å; V191-V195 PolarHBondContact O-N 3.36Å; V195-V199 HydrophobicContact CB-CG1 4.49Å; V195-V199 HydrophobicContact CG1-CB 3.94Å; V195-V199 HydrophobicContact CG1-CG1 3.97Å; V195-V199 HydrophobicContact CG1-CG2 3.86Å
196S98.3Very high98.4Very high44 Ų4446.1 Ų46.131%0.30826%0.259SS..  trans-178.6159.8169.460.90000110.6V191 K192 A198 V199 A200V191-S196 PolarHBondContact O-N 2.77Å; V191-S196 VanDerWaalsContact O-N 3.13Å; K192-S196 CarbonylContact O-C 3.5Å; S196-A198 VanDerWaalsContact C-N 3.29Å; S196-A198 PolarHBondContact O-N 3.13Å; S196-V199 PolarHBondContact O-N 2.89Å; S196-V199 WeakPolarHBondContact OG-CG2 3.47Å; S196-V199 PolarHBondContact OG-N 3.32Å; S196-V199 VanDerWaalsContact OG-N 3.15Å; S196-A200 PolarHBondContact O-N 3.26Å
197E98.1Very high98.4Very high104 Ų10443.1 Ų43.149%0.48625%0.246SC..Hα-helixtrans-59.8-38.4170.5177.1159.3-137.800112.9K192 V199 A200 N201K192-E197 HydrophobicContact CD-CB 4.39Å; K192-E197 HydrophobicContact CD-CG 4.36Å; K192-E197 WeakPolarHBondContact CE-OE1 3.09Å; K192-E197 HydrophobicContact CG-CB 4.18Å; K192-E197 IonicContact NZ-OE1 2.75Å; K192-E197 PolarHBondContact NZ-OE1 3.19Å; K192-E197 IonicContact NZ-OE2 3.81Å; E197-V199 PolarHBondContact O-N 3.16Å; E197-A200 PolarHBondContact O-N 3.22Å; E197-N201 WeakPolarHBondContact CG-ND2 3.13Å; E197-N201 WeakPolarHBondContact O-CB 3.22Å; E197-N201 VanDerWaalsContact O-CG 3.26Å; E197-N201 PolarHBondContact O-N 3.08Å; E197-N201 PolarHBondContact O-ND2 3.49Å
198A97.9Very high98.1Very high71 Ų7143.2 Ų43.259%0.58725%0.247SC*.Hα-helixtrans-59.8-47.7177.700000111.3S196 N201 S202S196-A198 VanDerWaalsContact C-N 3.29Å; S196-A198 PolarHBondContact O-N 3.13Å; A198-N201 PolarHBondContact O-N 3.04Å; A198-S202 PolarHBondContact O-N 3.39Å; A198-S202 PolarHBondContact O-OG 3.27Å
199V98.3Very high97.4Very high22 Ų2242.5 Ų42.513%0.13325%0.245CC..Hα-helixtrans-65-44.4177.2173.40000111.2W156 V191 V195 S196 E197 N201 S202 V203W156-V199 HydrophobicContact CB-CB 4.47Å; W156-V199 HydrophobicContact CB-CG1 3.61Å; W156-V199 HydrophobicContact CB-CG2 3.99Å; W156-V199 HydrophobicContact CD2-CG1 3.71Å; W156-V199 HydrophobicContact CE3-CG1 4Å; W156-V199 HydrophobicContact CG-CG1 3.55Å; W156-V199 HydrophobicContact CG-CG2 4.13Å; V191-V199 HydrophobicContact CG1-CB 4.29Å; V191-V199 HydrophobicContact CG1-CG1 3.68Å; V195-V199 HydrophobicContact CB-CG1 4.49Å; V195-V199 HydrophobicContact CG1-CB 3.94Å; V195-V199 HydrophobicContact CG1-CG1 3.97Å; V195-V199 HydrophobicContact CG1-CG2 3.86Å; S196-V199 PolarHBondContact O-N 2.89Å; S196-V199 WeakPolarHBondContact OG-CG2 3.47Å; S196-V199 PolarHBondContact OG-N 3.32Å; S196-V199 VanDerWaalsContact OG-N 3.15Å; E197-V199 PolarHBondContact O-N 3.16Å; V199-N201 PolarHBondContact O-N 3.1Å; V199-S202 PolarHBondContact O-N 2.66Å; V199-S202 VanDerWaalsContact O-N 3.11Å; V199-S202 PolarHBondContact O-OG 3.35Å; V199-V203 HydrophobicContact CG1-CB 4.3Å; V199-V203 WeakPolarHBondContact O-CB 3.33Å; V199-V203 VanDerWaalsContact O-CG1 3.31Å; V199-V203 WeakPolarHBondContact O-CG1 3.42Å; V199-V203 PolarHBondContact O-N 2.86Å
200A98.3Very high96.8Very high1 Ų138.6 Ų38.61%0.00823%0.23CC..Hα-helixtrans-59.7-34.2179.100000113R188 V191 K192 S196 E197R188-A200 HydrophobicContact CG-CB 4.14Å; R188-A200 WeakPolarHBondContact CG-O 3.07Å; R188-A200 PolarHBondContact NH1-O 2.89Å; V191-A200 HydrophobicContact CB-CB 4.3Å; V191-A200 HydrophobicContact CG1-CB 4.02Å; K192-A200 HydrophobicContact CB-CB 3.6Å; S196-A200 PolarHBondContact O-N 3.26Å; E197-A200 PolarHBondContact O-N 3.22Å
201N97.7Very high96.5Very high83 Ų8337.3 Ų37.344%0.44423%0.226SC..Hα-helixtrans-76.2-28.6178.4-73-28.1000113R3 E197 A198 V199R3-N201 WeakPolarHBondContact CD-O 3.22Å; R3-N201 VanDerWaalsContact CG-O 3.28Å; R3-N201 WeakPolarHBondContact CG-O 3.48Å; R3-N201 PolarHBondContact NH1-O 2.85Å; R3-N201 VanDerWaalsContact NH1-O 3.09Å; E197-N201 WeakPolarHBondContact CG-ND2 3.13Å; E197-N201 WeakPolarHBondContact O-CB 3.22Å; E197-N201 VanDerWaalsContact O-CG 3.26Å; E197-N201 PolarHBondContact O-N 3.08Å; E197-N201 PolarHBondContact O-ND2 3.49Å; A198-N201 PolarHBondContact O-N 3.04Å; V199-N201 PolarHBondContact O-N 3.1Å
202S97.9Very high96.3Very high70 Ų7039.8 Ų39.849%0.4924%0.241SC..Hα-helixtrans-101-29.7-175.466.90000115A198 V199 R204A198-S202 PolarHBondContact O-N 3.39Å; A198-S202 PolarHBondContact O-OG 3.27Å; V199-S202 PolarHBondContact O-N 2.66Å; V199-S202 VanDerWaalsContact O-N 3.11Å; V199-S202 PolarHBondContact O-OG 3.35Å; S202-R204 PolarHBondContact O-N 3.17Å
203V98.4Very high96.1Very high2 Ų235.9 Ų35.91%0.01223%0.23CC..  trans-66.5132.1-177.872.50000109.8R3 W156 L161 R188 V191 V199 I205R3-V203 WeakPolarHBondContact CD-O 3.46Å; W156-V203 HydrophobicContact CE3-CG2 4.04Å; W156-V203 HydrophobicContact CZ3-CG2 4.4Å; L161-V203 HydrophobicContact CD1-CG2 4.46Å; L161-V203 HydrophobicContact CG-CG2 4.27Å; R188-V203 PolarHBondContact NH1-O 3.43Å; R188-V203 VanDerWaalsContact NH1-O 3.1Å; V191-V203 HydrophobicContact CG1-CG1 4.27Å; V199-V203 HydrophobicContact CG1-CB 4.3Å; V199-V203 WeakPolarHBondContact O-CB 3.33Å; V199-V203 VanDerWaalsContact O-CG1 3.31Å; V199-V203 WeakPolarHBondContact O-CG1 3.42Å; V199-V203 PolarHBondContact O-N 2.86Å; V203-I205 HydrophobicContact CG1-CG1 4.34Å
204R98.8Very high95.8Very high23 Ų2335.6 Ų35.69%0.08724%0.235CC..EExtended strand (participates in β ladder)trans-82.2127.9173.4-66.9149.3-64.2170.47.2108.3R3 E37 V159 V160 L161 S202 D226R3-R204 HydrophobicContact CB-CG 4.33Å; E37-R204 IonicContact OE1-NH1 2.76Å; E37-R204 IonicContact OE2-CZ 3.12Å; E37-R204 IonicContact OE2-NH1 2.74Å; E37-R204 PolarHBondContact OE2-NH1 2.93Å; V159-R204 PolarHBondContact O-NH2 3.08Å; V159-R204 VanDerWaalsContact O-NH2 3.1Å; V160-R204 HydrophobicContact CG1-CB 4.24Å; V160-R204 HydrophobicContact CG2-CB 4.44Å; L161-R204 PolarHBondContact N-O 3.01Å; S202-R204 PolarHBondContact O-N 3.17Å; R204-D226 WeakPolarHBondContact CA-OD2 3.41Å; R204-D226 HydrophobicContact CB-CB 3.98Å; R204-D226 HydrophobicContact CG-CB 4.25Å
205I98.8Very high95.6Very high0 Ų033.3 Ų33.30%022%0.224CC..EExtended strand (participates in β ladder)trans-111.6109.2171.4-50.8176.3000107.4L161 H184 L187 R188 V203 D226L161-I205 HydrophobicContact CB-CG1 4.45Å; L161-I205 HydrophobicContact CB-CG2 4.5Å; L161-I205 CarbonylContact O-C 3.57Å; L161-I205 WeakPolarHBondContact O-CA 3.49Å; H184-I205 HydrophobicContact CB-CG2 4.49Å; H184-I205 PolarHBondContact CE1-O 3.36Å; H184-I205 WeakPolarHBondContact ND1-CG2 3.49Å; H184-I205 PolarHBondContact ND1-O 3.39Å; L187-I205 HydrophobicContact CB-CD1 4.28Å; L187-I205 HydrophobicContact CD2-CD1 4.15Å; L187-I205 HydrophobicContact CD2-CG2 3.72Å; L187-I205 HydrophobicContact CG-CD1 4.16Å; R188-I205 HydrophobicContact CB-CD1 3.91Å; R188-I205 HydrophobicContact CG-CD1 4.49Å; V203-I205 HydrophobicContact CG1-CG1 4.34Å; I205-D226 PolarHBondContact N-OD2 3.41Å; I205-D226 WeakPolarHBondContact O-CB 3.47Å; I205-D226 PolarHBondContact O-N 3.22Å
206I98.8Very high95.5Very high0 Ų031.1 Ų31.10%021%0.211CC..EExtended strand (participates in β ladder)trans-103.3148.6-177.766.8176.7000110.8F6 I123 V160 L161 A162 Y163 G227 L229F6-I206 HydrophobicContact CB-CG2 4.03Å; F6-I206 HydrophobicContact CD1-CD1 3.85Å; F6-I206 HydrophobicContact CD1-CG2 4.05Å; F6-I206 HydrophobicContact CE1-CD1 4.03Å; F6-I206 HydrophobicContact CG-CG2 4.43Å; I123-I206 HydrophobicContact CG2-CD1 4.17Å; V160-I206 HydrophobicContact CG1-CB 4.39Å; V160-I206 HydrophobicContact CG1-CD1 3.65Å; V160-I206 HydrophobicContact CG1-CG1 3.79Å; V160-I206 HydrophobicContact CG1-CG2 3.8Å; L161-I206 WeakPolarHBondContact O-CG1 3.13Å; L161-I206 PolarHBondContact O-N 3.07Å; A162-I206 CarbonylContact C-O 3.6Å; A162-I206 WeakPolarHBondContact CA-O 3.43Å; A162-I206 HydrophobicContact CB-CD1 4.03Å; A162-I206 HydrophobicContact CB-CG1 3.71Å; Y163-I206 PolarHBondContact N-O 3.17Å; I206-G227 WeakPolarHBondContact CA-O 3.26Å; I206-L229 HydrophobicContact CD1-CB 3.83Å; I206-L229 HydrophobicContact CG1-CB 4.42Å
207Y98.3Very high95.4Very high0 Ų035.1 Ų35.10%022%0.223CC..EExtended strand (participates in β ladder)trans-96.8131.5178.7172.2-101.9000110.9Y163 P165 T174 A175 A180 G209 V211 L219 G227 F228 L229Y163-Y207 HydrophobicContact CD1-CD2 4.12Å; Y163-Y207 HydrophobicContact CE1-CD2 4.34Å; Y163-Y207 HydrophobicContact CE1-CE2 4.47Å; P165-Y207 HydrophobicContact CG-CE2 3.91Å; T174-Y207 HydrophobicContact CG2-CE1 4.36Å; A175-Y207 HydrophobicContact CB-CE2 3.91Å; A175-Y207 WeakPolarHBondContact CB-OH 3.47Å; A175-Y207 PolarHBondContact N-OH 3.36Å; A180-Y207 HydrophobicContact CB-CD2 3.92Å; A180-Y207 HydrophobicContact CB-CE2 4.19Å; A180-Y207 HydrophobicContact CB-CG 4.39Å; Y207-G209 WeakPolarHBondContact CE1-O 3.26Å; Y207-G209 PolarHBondContact OH-O 2.87Å; Y207-V211 HydrophobicContact CD1-CG2 3.58Å; Y207-V211 HydrophobicContact CE1-CG2 3.7Å; Y207-L219 HydrophobicContact CD1-CD1 4.09Å; Y207-L219 HydrophobicContact CD1-CD2 4.3Å; Y207-L219 HydrophobicContact CE1-CD1 3.93Å; Y207-L219 HydrophobicContact CE1-CD2 4.31Å; Y207-G227 PolarHBondContact N-O 3.4Å; Y207-F228 HydrophobicContact CD1-CD1 4.41Å; Y207-F228 CarbonylContact O-C 3.56Å; Y207-F228 WeakPolarHBondContact O-CA 3.43Å; Y207-L229 PolarHBondContact O-N 3.13Å
208G91.9Very high95.4Very high2 Ų236.2 Ų36.22%0.02123%0.228CC..  trans-12895.3174.800000112.7Y163 E164 L229Y163-G208 PolarHBondContact O-N 3.48Å; E164-G208 WeakPolarHBondContact CA-O 3.37Å; E164-G208 WeakPolarHBondContact CB-O 3.41Å; G208-L229 VanDerWaalsContact CA-O 3.28Å; G208-L229 WeakPolarHBondContact CA-O 3.29Å
209G83.9Confident95.3Very high2 Ų232.9 Ų32.92%0.02120%0.2CC..SBendtrans-171.1100.417600000111.8A168 T174 Y207 V211A168-G209 CarbonylContact O-C 3.47Å; T174-G209 WeakPolarHBondContact CG2-O 3.21Å; Y207-G209 WeakPolarHBondContact CE1-O 3.26Å; Y207-G209 PolarHBondContact OH-O 2.87Å; G209-V211 VanDerWaalsContact C-N 3.25Å; G209-V211 PolarHBondContact O-N 3.14Å; G209-V211 VanDerWaalsContact O-N 3.15Å
210S87Confident95.2Very high28 Ų2831.8 Ų31.820%0.19619%0.194CC..SBendtrans47.342.6178.4-62.40000114.5A168 K173 T174A168-S210 WeakPolarHBondContact O-CB 3.13Å; A168-S210 PolarHBondContact O-N 3.49Å; A168-S210 VanDerWaalsContact O-N 3.17Å; A168-S210 PolarHBondContact O-OG 2.77Å; K173-S210 WeakPolarHBondContact O-CB 3.45Å; K173-S210 PolarHBondContact O-OG 3.27Å; T174-S210 VanDerWaalsContact OG1-CB 3.26Å; T174-S210 WeakPolarHBondContact OG1-CB 3.36Å; T174-S210 PolarHBondContact OG1-O 3.15Å
211V92.1Very high95Very high7 Ų734.3 Ų34.34%0.04222%0.219CC..  trans-70.8132.8172.2-176.20000109.3Y207 G209 C216 L219 F228 I242Y207-V211 HydrophobicContact CD1-CG2 3.58Å; Y207-V211 HydrophobicContact CE1-CG2 3.7Å; G209-V211 VanDerWaalsContact C-N 3.25Å; G209-V211 PolarHBondContact O-N 3.14Å; G209-V211 VanDerWaalsContact O-N 3.15Å; V211-C216 HydrophobicContact CG1-CB 3.99Å; V211-L219 HydrophobicContact CG2-CD1 4.37Å; V211-F228 HydrophobicContact CG1-CD1 4.02Å; V211-F228 HydrophobicContact CG1-CD2 4.26Å; V211-F228 HydrophobicContact CG1-CE1 4.33Å; V211-F228 HydrophobicContact CG1-CG 3.99Å; V211-F228 HydrophobicContact CG2-CB 4.45Å; V211-F228 HydrophobicContact CG2-CD1 3.79Å; V211-F228 HydrophobicContact CG2-CE1 4.41Å; V211-F228 HydrophobicContact CG2-CG 4.27Å; V211-I242 HydrophobicContact CG1-CD1 4.26Å; V211-I242 HydrophobicContact CG1-CG1 4.4Å; V211-I242 HydrophobicContact CG1-CG2 3.95Å
212T93.8Very high95Very high52 Ų5232.7 Ų32.732%0.31921%0.21SC..  trans-132.2169177.366.50000110G214 T215 C216T212-G214 PolarHBondContact O-N 2.81Å; T212-G214 PolarHBondContact OG1-N 3.35Å; T212-T215 PolarHBondContact N-OG1 3.15Å; T212-T215 VanDerWaalsContact N-OG1 3.12Å; T212-T215 PolarHBondContact O-N 2.9Å; T212-T215 VanDerWaalsContact O-N 3.17Å; T212-T215 PolarHBondContact O-OG1 3.17Å; T212-T215 PolarHBondContact OG1-OG1 3.08Å; T212-C216 WeakPolarHBondContact O-CB 3.44Å; T212-C216 PolarHBondContact O-N 2.98Å
213G94.3Very high95Very high20 Ų2037.2 Ų37.221%0.20622%0.221CC..THydrogen-bonded Turntrans-56-33.817500000112.7C216 E238G213-C216 PolarHBondContact O-SG 2.79Å; G213-E238 PolarHBondContact N-OE2 2.95Å
214G93.8Very high95Very high76 Ų7637.4 Ų37.478%0.78422%0.222SC*.THydrogen-bonded Turntrans-73.9-25.7179.400000115.4T212T212-G214 PolarHBondContact O-N 2.81Å; T212-G214 PolarHBondContact OG1-N 3.35Å
215T93.4Very high95Very high45 Ų4536.5 Ų36.528%0.27622%0.218SC..THydrogen-bonded Turntrans-105.2-17.4-17658.20000113.6T212 K217 E218 L219T212-T215 PolarHBondContact N-OG1 3.15Å; T212-T215 VanDerWaalsContact N-OG1 3.12Å; T212-T215 PolarHBondContact O-N 2.9Å; T212-T215 VanDerWaalsContact O-N 3.17Å; T212-T215 PolarHBondContact O-OG1 3.17Å; T212-T215 PolarHBondContact OG1-OG1 3.08Å; T215-K217 PolarHBondContact O-N 3.25Å; T215-E218 PolarHBondContact O-N 2.88Å; T215-L219 PolarHBondContact O-N 3.07Å
216C96.3Very high95Very high1 Ų137 Ų371%0.00722%0.221CC..Hα-helixtrans-63.2-34.4-170.667.80000114.2V211 T212 G213 G220 F228 I242 A245V211-C216 HydrophobicContact CG1-CB 3.99Å; T212-C216 WeakPolarHBondContact O-CB 3.44Å; T212-C216 PolarHBondContact O-N 2.98Å; G213-C216 PolarHBondContact O-SG 2.79Å; C216-G220 WeakPolarHBondContact O-CA 3.37Å; C216-G220 PolarHBondContact O-N 3.1Å; C216-F228 HydrophobicContact CB-CE2 3.91Å; C216-F228 HydrophobicContact CB-CZ 4.2Å; C216-F228 VanDerWaalsContact O-CZ 3.26Å; C216-F228 WeakPolarHBondContact O-CZ 3.33Å; C216-I242 HydrophobicContact CB-CB 4.32Å; C216-I242 HydrophobicContact CB-CG1 4.08Å; C216-I242 HydrophobicContact CB-CG2 4.1Å; C216-A245 HydrophobicContact CB-CB 3.91Å
217K96.8Very high95Very high128 Ų12837 Ų3756%0.55722%0.221SC*.Hα-helixtrans-67.6-44.6-177.9-66.5-160.2176.9-143.40112.4T215 G220 G221 Q247T215-K217 PolarHBondContact O-N 3.25Å; K217-G220 PolarHBondContact O-N 3.25Å; K217-G221 PolarHBondContact O-N 3.06Å; K217-Q247 PolarHBondContact NZ-O 2.93Å
218E96.4Very high95Very high127 Ų12737 Ų3759%0.59322%0.221SC*.Hα-helixtrans-68.8-46.1-179.9-163.1-174.3166.800111.2P177 T215 G220 G221 M222P177-E218 HydrophobicContact CB-CG 4.23Å; P177-E218 HydrophobicContact CG-CB 4.16Å; P177-E218 HydrophobicContact CG-CG 3.71Å; T215-E218 PolarHBondContact O-N 2.88Å; E218-G220 VanDerWaalsContact C-N 3.34Å; E218-G220 PolarHBondContact O-N 3.19Å; E218-G221 PolarHBondContact O-N 3.43Å; E218-M222 WeakPolarHBondContact O-CE 3.28Å
219L95.8Very high95.3Very high1 Ų137.1 Ų37.11%0.00522%0.221CC..Hα-helixtrans-60.9-44.5174.5-75.7164.7000111.5T174 P177 A180 Y207 V211 T215 G221 M222 V225 F228T174-L219 HydrophobicContact CG2-CD1 4.13Å; P177-L219 HydrophobicContact CB-CD2 4.19Å; P177-L219 HydrophobicContact CG-CD2 4.05Å; P177-L219 HydrophobicContact CG-CG 4.21Å; A180-L219 HydrophobicContact CB-CD2 3.97Å; Y207-L219 HydrophobicContact CD1-CD1 4.09Å; Y207-L219 HydrophobicContact CD1-CD2 4.3Å; Y207-L219 HydrophobicContact CE1-CD1 3.93Å; Y207-L219 HydrophobicContact CE1-CD2 4.31Å; V211-L219 HydrophobicContact CG2-CD1 4.37Å; T215-L219 PolarHBondContact O-N 3.07Å; L219-G221 PolarHBondContact O-N 3.15Å; L219-M222 WeakPolarHBondContact O-CB 3.42Å; L219-M222 WeakPolarHBondContact O-CG 3.18Å; L219-M222 PolarHBondContact O-N 2.9Å; L219-V225 WeakPolarHBondContact O-CB 3.44Å; L219-V225 WeakPolarHBondContact O-CG1 3.07Å; L219-F228 HydrophobicContact CB-CE1 3.73Å; L219-F228 HydrophobicContact CB-CZ 4.01Å
220G95.9Very high96Very high0 Ų037.1 Ų37.10%022%0.221CC..Hα-helixtrans-63.3-35.2179.400000110.9C216 K217 E218 M222 K246C216-G220 WeakPolarHBondContact O-CA 3.37Å; C216-G220 PolarHBondContact O-N 3.1Å; K217-G220 PolarHBondContact O-N 3.25Å; E218-G220 VanDerWaalsContact C-N 3.34Å; E218-G220 PolarHBondContact O-N 3.19Å; G220-M222 PolarHBondContact O-N 3.24Å; G220-K246 WeakPolarHBondContact O-CE 3.21Å; G220-K246 PolarHBondContact O-NZ 3.22Å
221G95.9Very high96.4Very high53 Ų5336.8 Ų36.855%0.54622%0.222SC..THydrogen-bonded Turntrans-63.9-15.5177.900000115.4K217 E218 L219K217-G221 PolarHBondContact O-N 3.06Å; E218-G221 PolarHBondContact O-N 3.43Å; L219-G221 PolarHBondContact O-N 3.15Å
222M97.4Very high96.5Very high49 Ų4938.9 Ų38.924%0.24125%0.245CC..SBendtrans-66.2142.1178.7-63.4-61.6119.600111.4P177 Q181 E218 L219 G220 D224 V225P177-M222 HydrophobicContact CB-CE 3.66Å; P177-M222 HydrophobicContact CB-CG 3.9Å; P177-M222 HydrophobicContact CB-SD 3.88Å; Q181-M222 HydrophobicContact CB-CB 4.17Å; Q181-M222 HydrophobicContact CB-CG 4.14Å; Q181-M222 HydrophobicContact CB-SD 3.96Å; Q181-M222 HydrophobicContact CG-SD 4.4Å; E218-M222 WeakPolarHBondContact O-CE 3.28Å; L219-M222 WeakPolarHBondContact O-CB 3.42Å; L219-M222 WeakPolarHBondContact O-CG 3.18Å; L219-M222 PolarHBondContact O-N 2.9Å; G220-M222 PolarHBondContact O-N 3.24Å; M222-D224 VanDerWaalsContact C-N 3.34Å; M222-D224 PolarHBondContact O-N 3.49Å; M222-V225 HydrophobicContact CB-CB 3.94Å; M222-V225 HydrophobicContact CB-CG2 3.58Å; M222-V225 HydrophobicContact CG-CG2 4.33Å; M222-V225 PolarHBondContact O-N 2.8Å
223K97.4Very high96.7Very high166 Ų16636.9 Ų36.972%0.72223%0.234SC*.THydrogen-bonded Turntrans-59.7-40.6-171.1178.8-171.8170.3-162.60113.4
224D98.3Very high96.8Very high6 Ų635.9 Ų35.93%0.03222%0.224CC..THydrogen-bonded Turntrans-107.13.7-172.9-65.3-75.6000113.1Q181 H184 R188 M222Q181-D224 PolarHBondContact NE2-OD2 2.7Å; H184-D224 HydrophobicContact CB-CB 3.82Å; H184-D224 PolarHBondContact ND1-O 2.92Å; R188-D224 WeakPolarHBondContact CD-OD1 3.27Å; R188-D224 IonicContact CZ-OD1 2.71Å; R188-D224 IonicContact NE-OD1 3.97Å; R188-D224 PolarHBondContact NE-OD1 2.88Å; R188-D224 PolarHBondContact NH2-O 3.46Å; R188-D224 VanDerWaalsContact NH2-O 3.13Å; R188-D224 IonicContact NH2-OD1 3.77Å; M222-D224 VanDerWaalsContact C-N 3.34Å; M222-D224 PolarHBondContact O-N 3.49Å
225V98.3Very high97Very high3 Ų335.2 Ų35.22%0.01820%0.202CC..  trans-88.7104.6171.11800000109A180 L219 M222 G227 F228A180-V225 HydrophobicContact CB-CG2 4.47Å; L219-V225 WeakPolarHBondContact O-CB 3.44Å; L219-V225 WeakPolarHBondContact O-CG1 3.07Å; M222-V225 HydrophobicContact CB-CB 3.94Å; M222-V225 HydrophobicContact CB-CG2 3.58Å; M222-V225 HydrophobicContact CG-CG2 4.33Å; M222-V225 PolarHBondContact O-N 2.8Å; V225-G227 VanDerWaalsContact C-N 3.32Å; V225-F228 HydrophobicContact CG1-CE1 4.15Å
226D98.7Very high97.2Very high10 Ų1038.2 Ų38.25%0.05321%0.211CC..  trans-92.58.7-175.3-56.9-48.4000113R3 F5 F6 R188 R204 I205R3-D226 WeakPolarHBondContact CD-OD2 3.46Å; R3-D226 IonicContact CZ-OD1 4Å; R3-D226 IonicContact NE-OD1 3.31Å; R3-D226 PolarHBondContact NE-OD1 3.08Å; R3-D226 IonicContact NE-OD2 3.47Å; R3-D226 PolarHBondContact NE-OD2 2.71Å; R3-D226 VanDerWaalsContact NE-OD2 3.12Å; R3-D226 IonicContact NH2-OD1 2.71Å; R3-D226 PolarHBondContact NH2-OD1 3.42Å; F5-D226 WeakPolarHBondContact CA-O 3.2Å; F5-D226 WeakPolarHBondContact CD2-O 3.38Å; F6-D226 PolarHBondContact N-O 3.2Å; R188-D226 IonicContact CZ-OD2 3.76Å; R188-D226 IonicContact NH1-OD2 2.74Å; R188-D226 IonicContact NH2-OD1 3.58Å; R188-D226 IonicContact NH2-OD2 2.68Å; R188-D226 PolarHBondContact NH2-OD2 3.19Å; R204-D226 WeakPolarHBondContact CA-OD2 3.41Å; R204-D226 HydrophobicContact CB-CB 3.98Å; R204-D226 HydrophobicContact CG-CB 4.25Å; I205-D226 PolarHBondContact N-OD2 3.41Å; I205-D226 WeakPolarHBondContact O-CB 3.47Å; I205-D226 PolarHBondContact O-N 3.22Å
227G98.6Very high97.1Very high0 Ų042.9 Ų42.90%024%0.241CC..EExtended strand (participates in β ladder)trans146.3-161.2-177.400000115F5 F6 I206 Y207 V225F5-G227 VanDerWaalsContact CE2-CA 3.45Å; F6-G227 CarbonylContact O-C 3.56Å; F6-G227 WeakPolarHBondContact O-CA 3.45Å; I206-G227 WeakPolarHBondContact CA-O 3.26Å; Y207-G227 PolarHBondContact N-O 3.4Å; V225-G227 VanDerWaalsContact C-N 3.32Å
228F98.7Very high97.1Very high0 Ų039.1 Ų39.10%023%0.226CC..EExtended strand (participates in β ladder)trans-136.2148-172.6-53.2-59.9000114.6F5 F6 V7 G8 Y207 V211 C216 L219 V225 V230 I242 A245F5-F228 HydrophobicContact CE1-CD2 4.2Å; F5-F228 AromaticContact CE1-CE2 3.96Å; F5-F228 HydrophobicContact CE1-CE2 3.96Å; F5-F228 HydrophobicContact CZ-CD2 4.05Å; F5-F228 AromaticContact CZ-CE2 3.54Å; F5-F228 HydrophobicContact CZ-CE2 3.54Å; F5-F228 HydrophobicContact CZ-CZ 4.02Å; F6-F228 PolarHBondContact O-N 3.33Å; V7-F228 WeakPolarHBondContact CA-O 3.24Å; V7-F228 HydrophobicContact CG2-CD2 4.15Å; G8-F228 PolarHBondContact N-O 2.85Å; Y207-F228 HydrophobicContact CD1-CD1 4.41Å; Y207-F228 CarbonylContact O-C 3.56Å; Y207-F228 WeakPolarHBondContact O-CA 3.43Å; V211-F228 HydrophobicContact CG1-CD1 4.02Å; V211-F228 HydrophobicContact CG1-CD2 4.26Å; V211-F228 HydrophobicContact CG1-CE1 4.33Å; V211-F228 HydrophobicContact CG1-CG 3.99Å; V211-F228 HydrophobicContact CG2-CB 4.45Å; V211-F228 HydrophobicContact CG2-CD1 3.79Å; V211-F228 HydrophobicContact CG2-CE1 4.41Å; V211-F228 HydrophobicContact CG2-CG 4.27Å; C216-F228 HydrophobicContact CB-CE2 3.91Å; C216-F228 HydrophobicContact CB-CZ 4.2Å; C216-F228 VanDerWaalsContact O-CZ 3.26Å; C216-F228 WeakPolarHBondContact O-CZ 3.33Å; L219-F228 HydrophobicContact CB-CE1 3.73Å; L219-F228 HydrophobicContact CB-CZ 4.01Å; V225-F228 HydrophobicContact CG1-CE1 4.15Å; F228-V230 HydrophobicContact CB-CG2 3.74Å; F228-I242 HydrophobicContact CB-CG2 4.38Å; F228-I242 HydrophobicContact CD2-CG2 3.44Å; F228-I242 VanDerWaalsContact CD2-CG2 3.44Å; F228-I242 HydrophobicContact CE2-CG2 4.05Å; F228-I242 HydrophobicContact CG-CG2 4.16Å; F228-A245 HydrophobicContact CE2-CB 3.86Å
229L98.6Very high97.2Very high5 Ų533.1 Ų33.13%0.02620%0.198CC..EExtended strand (participates in β ladder)trans-110.7111.1158.6-17156.5000108.8N10 I91 I123 A162 E164 I206 Y207 G208N10-L229 HydrophobicContact CB-CD1 4.2Å; I91-L229 HydrophobicContact CD1-CD1 4.38Å; I123-L229 HydrophobicContact CG2-CD2 4.08Å; A162-L229 HydrophobicContact CB-CB 4.38Å; A162-L229 HydrophobicContact CB-CD2 3.84Å; E164-L229 WeakPolarHBondContact OE1-CD2 3.33Å; I206-L229 HydrophobicContact CD1-CB 3.83Å; I206-L229 HydrophobicContact CG1-CB 4.42Å; Y207-L229 PolarHBondContact O-N 3.13Å; G208-L229 VanDerWaalsContact CA-O 3.28Å; G208-L229 WeakPolarHBondContact CA-O 3.29Å
230V98.1Very high97.3Very high2 Ų234.1 Ų34.11%0.01220%0.204CC..EExtended strand (participates in β ladder)trans-108.1124.3-166.9-172.20000110.1V7 G8 G9 N10 F228 A233 A234 F239 I242V7-V230 HydrophobicContact CG1-CG2 4.28Å; G8-V230 PolarHBondContact O-N 3.48Å; G9-V230 CarbonylContact C-O 3.53Å; G9-V230 WeakPolarHBondContact CA-O 3.31Å; N10-V230 PolarHBondContact N-O 3.43Å; F228-V230 HydrophobicContact CB-CG2 3.74Å; V230-A233 HydrophobicContact CG1-CB 3.65Å; V230-A234 HydrophobicContact CB-CB 4.17Å; V230-A234 HydrophobicContact CG1-CB 4.07Å; V230-A234 WeakPolarHBondContact O-CB 3.41Å; V230-F239 HydrophobicContact CB-CD2 4.2Å; V230-F239 HydrophobicContact CB-CE2 3.88Å; V230-F239 HydrophobicContact CG1-CD2 4.19Å; V230-F239 HydrophobicContact CG1-CE2 4.38Å; V230-F239 HydrophobicContact CG2-CD2 4.29Å; V230-F239 HydrophobicContact CG2-CE2 3.88Å; V230-I242 HydrophobicContact CG1-CD1 3.89Å; V230-I242 HydrophobicContact CG2-CD1 4.34Å; V230-I242 HydrophobicContact CG2-CG2 3.86Å
231G96.1Very high97.4Very high22 Ų2238.6 Ų38.623%0.22723%0.228CC..SBendtrans-87.3-106.9175.100000112.5A233 A234G231-A233 VanDerWaalsContact C-N 3.28Å; G231-A233 PolarHBondContact O-N 2.91Å; G231-A233 VanDerWaalsContact O-N 3.16Å; G231-A234 WeakPolarHBondContact O-CB 3Å; G231-A234 PolarHBondContact O-N 3.39Å
232G94.9Very high97.5Very high51 Ų5136 Ų3653%0.52620%0.202SC..G310 helixtrans-58.4-31.5-171.800000115.6A234 L235G232-A234 PolarHBondContact O-N 2.67Å; G232-L235 PolarHBondContact O-N 2.86Å
233A96.4Very high97.6Very high9 Ų933.7 Ų33.77%0.07419%0.19CC..G310 helixtrans-69.4-21.1175.300000112.8V230 G231 L235 K236 E238 I242V230-A233 HydrophobicContact CG1-CB 3.65Å; G231-A233 VanDerWaalsContact C-N 3.28Å; G231-A233 PolarHBondContact O-N 2.91Å; G231-A233 VanDerWaalsContact O-N 3.16Å; A233-L235 PolarHBondContact O-N 3.46Å; A233-K236 PolarHBondContact O-N 3.3Å; A233-K236 VanDerWaalsContact O-N 3.11Å; A233-E238 HydrophobicContact CB-CG 4.14Å; A233-E238 WeakPolarHBondContact CB-OE1 3.41Å; A233-I242 HydrophobicContact CB-CD1 3.83Å
234A97.9Very high97.6Very high0 Ų026.9 Ų26.90%016%0.162CC..G310 helixtrans-70-11.717600000113.7V230 G231 G232 F239V230-A234 HydrophobicContact CB-CB 4.17Å; V230-A234 HydrophobicContact CG1-CB 4.07Å; V230-A234 WeakPolarHBondContact O-CB 3.41Å; G231-A234 WeakPolarHBondContact O-CB 3Å; G231-A234 PolarHBondContact O-N 3.39Å; G232-A234 PolarHBondContact O-N 2.67Å; A234-F239 HydrophobicContact CB-CD1 4.37Å; A234-F239 HydrophobicContact CB-CD2 4.01Å; A234-F239 HydrophobicContact CB-CE1 4.46Å; A234-F239 HydrophobicContact CB-CE2 4.08Å; A234-F239 HydrophobicContact CB-CG 4.19Å; A234-F239 HydrophobicContact CB-CZ 4.33Å
235L97.6Very high97.6Very high61 Ų6126.9 Ų26.932%0.31916%0.162SC..G310 helixtrans-95.15.2174.9-60.5172.5000112.4W11 N14 L23 G232 A233W11-L235 HydrophobicContact CB-CD2 3.87Å; W11-L235 HydrophobicContact CG-CD2 3.82Å; N14-L235 HydrophobicContact CB-CD1 3.68Å; N14-L235 HydrophobicContact CB-CD2 4.4Å; L23-L235 HydrophobicContact CD2-CD2 4.12Å; G232-L235 PolarHBondContact O-N 2.86Å; A233-L235 PolarHBondContact O-N 3.46Å
236K96.8Very high97.4Very high108 Ų10831.6 Ų31.647%0.4718%0.182SC..SBendtrans-124.7159.8-173.3-62.4178.7-172.3174.50111.1A233 E238 F239A233-K236 PolarHBondContact O-N 3.3Å; A233-K236 VanDerWaalsContact O-N 3.11Å; K236-E238 HydrophobicContact CB-CG 3.86Å; K236-E238 HydrophobicContact CD-CG 4.32Å; K236-E238 WeakPolarHBondContact CD-OE1 3.37Å; K236-E238 IonicContact NZ-OE1 2.9Å; K236-E238 PolarHBondContact O-N 3.36Å; K236-F239 WeakPolarHBondContact O-CB 3.47Å; K236-F239 PolarHBondContact O-N 2.74Å; K236-F239 VanDerWaalsContact O-N 3.08Å
237P95.5Very high96.8Very high99 Ų9937.4 Ų37.464%0.64321%0.209SC*.THydrogen-bonded Turntrans-56.2-31.6175.8-26.735.8000114.1F239 V240P237-F239 PolarHBondContact O-N 3.48Å; P237-V240 PolarHBondContact O-N 3.03Å; P237-V240 VanDerWaalsContact O-N 3.08Å
238E96.3Very high96.7Very high49 Ų4939.3 Ų39.323%0.22922%0.22CC..THydrogen-bonded Turntrans-60.2-13177.964.6174.4171.900113.8G213 A233 K236 V240 D241 I242G213-E238 PolarHBondContact N-OE2 2.95Å; A233-E238 HydrophobicContact CB-CG 4.14Å; A233-E238 WeakPolarHBondContact CB-OE1 3.41Å; K236-E238 HydrophobicContact CB-CG 3.86Å; K236-E238 HydrophobicContact CD-CG 4.32Å; K236-E238 WeakPolarHBondContact CD-OE1 3.37Å; K236-E238 IonicContact NZ-OE1 2.9Å; K236-E238 PolarHBondContact O-N 3.36Å; E238-V240 PolarHBondContact O-N 3.2Å; E238-D241 WeakPolarHBondContact O-CB 3.32Å; E238-D241 PolarHBondContact O-N 3.19Å; E238-D241 VanDerWaalsContact O-N 3.08Å; E238-I242 WeakPolarHBondContact O-CG1 3.23Å; E238-I242 PolarHBondContact O-N 2.93Å
239F98.4Very high96.6Very high1 Ų141.3 Ų41.30%0.00423%0.231CC..Hα-helixtrans-59.6-31.2172.4-168.9-138.3000112.5V7 L27 V230 A234 K236 P237 D241 I242 I243V7-F239 HydrophobicContact CG1-CD2 4.42Å; V7-F239 HydrophobicContact CG1-CE2 3.48Å; V7-F239 VanDerWaalsContact CG1-CE2 3.48Å; V7-F239 HydrophobicContact CG1-CZ 3.86Å; L27-F239 HydrophobicContact CD2-CD1 3.87Å; L27-F239 HydrophobicContact CD2-CE1 4.42Å; V230-F239 HydrophobicContact CB-CD2 4.2Å; V230-F239 HydrophobicContact CB-CE2 3.88Å; V230-F239 HydrophobicContact CG1-CD2 4.19Å; V230-F239 HydrophobicContact CG1-CE2 4.38Å; V230-F239 HydrophobicContact CG2-CD2 4.29Å; V230-F239 HydrophobicContact CG2-CE2 3.88Å; A234-F239 HydrophobicContact CB-CD1 4.37Å; A234-F239 HydrophobicContact CB-CD2 4.01Å; A234-F239 HydrophobicContact CB-CE1 4.46Å; A234-F239 HydrophobicContact CB-CE2 4.08Å; A234-F239 HydrophobicContact CB-CG 4.19Å; A234-F239 HydrophobicContact CB-CZ 4.33Å; K236-F239 WeakPolarHBondContact O-CB 3.47Å; K236-F239 PolarHBondContact O-N 2.74Å; K236-F239 VanDerWaalsContact O-N 3.08Å; P237-F239 PolarHBondContact O-N 3.48Å; F239-D241 VanDerWaalsContact C-N 3.34Å; F239-I242 PolarHBondContact O-N 3.45Å; F239-I243 HydrophobicContact CD1-CD1 3.99Å; F239-I243 HydrophobicContact CE1-CD1 3.9Å; F239-I243 HydrophobicContact CE1-CG1 4.49Å; F239-I243 HydrophobicContact CE2-CG1 4.46Å; F239-I243 HydrophobicContact CG-CD1 4.38Å; F239-I243 HydrophobicContact CZ-CD1 4.25Å; F239-I243 HydrophobicContact CZ-CG1 4.36Å; F239-I243 VanDerWaalsContact O-CG1 3.32Å; F239-I243 WeakPolarHBondContact O-CG1 3.46Å; F239-I243 PolarHBondContact O-N 2.73Å
240V98.1Very high96.4Very high23 Ų2343.3 Ų43.314%0.13924%0.243CC..Hα-helixtrans-63.8-40.7174.4176.50000111.1L27 A30 L32 P237 E238 I242 I243 N244L27-V240 HydrophobicContact CD2-CG2 4.31Å; A30-V240 HydrophobicContact CB-CB 4.47Å; A30-V240 HydrophobicContact CB-CG1 3.89Å; A30-V240 HydrophobicContact CB-CG2 3.66Å; L32-V240 HydrophobicContact CD2-CG1 4.29Å; P237-V240 PolarHBondContact O-N 3.03Å; P237-V240 VanDerWaalsContact O-N 3.08Å; E238-V240 PolarHBondContact O-N 3.2Å; V240-I242 VanDerWaalsContact C-N 3.28Å; V240-I242 PolarHBondContact O-N 2.88Å; V240-I243 PolarHBondContact O-N 3.26Å; V240-N244 WeakPolarHBondContact O-CB 3.49Å; V240-N244 PolarHBondContact O-N 3.23Å; V240-N244 PolarHBondContact O-ND2 3.2Å
241D98.1Very high96.4Very high93 Ų9345.8 Ų45.850%0.49726%0.256SS..Hα-helixtrans-63.5-38.7177.1-56.2-42.1000110.8E238 F239 N244 A245E238-D241 WeakPolarHBondContact O-CB 3.32Å; E238-D241 PolarHBondContact O-N 3.19Å; E238-D241 VanDerWaalsContact O-N 3.08Å; F239-D241 VanDerWaalsContact C-N 3.34Å; D241-N244 CarbonylContact O-C 3.56Å; D241-N244 PolarHBondContact O-N 2.93Å; D241-A245 PolarHBondContact O-N 3.47Å; D241-A245 VanDerWaalsContact O-N 3.16Å
242I98.4Very high96.4Very high0 Ų047.3 Ų47.30%026%0.258CS..Hα-helixtrans-68.3-40177.3-58.1167.8000111.6V7 V211 C216 F228 V230 A233 E238 F239 V240 N244 A245V7-I242 HydrophobicContact CG1-CG2 4.2Å; V211-I242 HydrophobicContact CG1-CD1 4.26Å; V211-I242 HydrophobicContact CG1-CG1 4.4Å; V211-I242 HydrophobicContact CG1-CG2 3.95Å; C216-I242 HydrophobicContact CB-CB 4.32Å; C216-I242 HydrophobicContact CB-CG1 4.08Å; C216-I242 HydrophobicContact CB-CG2 4.1Å; F228-I242 HydrophobicContact CB-CG2 4.38Å; F228-I242 HydrophobicContact CD2-CG2 3.44Å; F228-I242 VanDerWaalsContact CD2-CG2 3.44Å; F228-I242 HydrophobicContact CE2-CG2 4.05Å; F228-I242 HydrophobicContact CG-CG2 4.16Å; V230-I242 HydrophobicContact CG1-CD1 3.89Å; V230-I242 HydrophobicContact CG2-CD1 4.34Å; V230-I242 HydrophobicContact CG2-CG2 3.86Å; A233-I242 HydrophobicContact CB-CD1 3.83Å; E238-I242 WeakPolarHBondContact O-CG1 3.23Å; E238-I242 PolarHBondContact O-N 2.93Å; F239-I242 PolarHBondContact O-N 3.45Å; V240-I242 VanDerWaalsContact C-N 3.28Å; V240-I242 PolarHBondContact O-N 2.88Å; I242-N244 PolarHBondContact O-N 3.06Å; I242-A245 VanDerWaalsContact O-CB 3.24Å; I242-A245 WeakPolarHBondContact O-CB 3.21Å; I242-A245 PolarHBondContact O-N 3.05Å
243I98.6Very high96.5Very high0 Ų047 Ų470%024%0.24CC..Hα-helixtrans-59.4-36.5173.3-69.9163000110.9V7 L27 L32 T36 V38 F239 V240 A245V7-I243 HydrophobicContact CB-CG1 4.19Å; V7-I243 HydrophobicContact CG1-CG1 3.88Å; L27-I243 HydrophobicContact CD2-CD1 4.26Å; L32-I243 HydrophobicContact CB-CG2 4.14Å; L32-I243 HydrophobicContact CD2-CD1 4.05Å; L32-I243 HydrophobicContact CD2-CG2 4.05Å; T36-I243 HydrophobicContact CG2-CG2 4.04Å; T36-I243 PolarHBondContact OG1-O 2.83Å; V38-I243 HydrophobicContact CG1-CD1 3.74Å; V38-I243 HydrophobicContact CG1-CG1 4.17Å; V38-I243 HydrophobicContact CG2-CB 4.49Å; V38-I243 HydrophobicContact CG2-CD1 4.15Å; V38-I243 HydrophobicContact CG2-CG1 4.07Å; V38-I243 HydrophobicContact CG2-CG2 3.6Å; F239-I243 HydrophobicContact CD1-CD1 3.99Å; F239-I243 HydrophobicContact CE1-CD1 3.9Å; F239-I243 HydrophobicContact CE1-CG1 4.49Å; F239-I243 HydrophobicContact CE2-CG1 4.46Å; F239-I243 HydrophobicContact CG-CD1 4.38Å; F239-I243 HydrophobicContact CZ-CD1 4.25Å; F239-I243 HydrophobicContact CZ-CG1 4.36Å; F239-I243 VanDerWaalsContact O-CG1 3.32Å; F239-I243 WeakPolarHBondContact O-CG1 3.46Å; F239-I243 PolarHBondContact O-N 2.73Å; V240-I243 PolarHBondContact O-N 3.26Å; I243-A245 VanDerWaalsContact C-N 3.35Å
244N98.3Very high96.5Very high23 Ų2349.7 Ų49.712%0.12325%0.252CS..THydrogen-bonded Turntrans-93.518.9-178.6-65.6-22000113.3K31 D33 V240 D241 I242 K246 Q247K31-N244 PolarHBondContact O-ND2 3.25Å; D33-N244 PolarHBondContact N-OD1 2.92Å; V240-N244 WeakPolarHBondContact O-CB 3.49Å; V240-N244 PolarHBondContact O-N 3.23Å; V240-N244 PolarHBondContact O-ND2 3.2Å; D241-N244 CarbonylContact O-C 3.56Å; D241-N244 PolarHBondContact O-N 2.93Å; I242-N244 PolarHBondContact O-N 3.06Å; N244-K246 PolarHBondContact O-N 3.18Å; N244-Q247 HydrophobicContact CB-CG 4.44Å; N244-Q247 WeakPolarHBondContact O-CB 3.48Å; N244-Q247 PolarHBondContact O-N 3.48Å
245A97.4Very high96.4Very high6 Ų653.5 Ų53.55%0.0527%0.272CS..THydrogen-bonded Turntrans-60.1-18.3-174.400000115F5 C216 F228 D241 I242 I243F5-A245 HydrophobicContact CE1-CB 4.22Å; F5-A245 HydrophobicContact CZ-CB 4.4Å; C216-A245 HydrophobicContact CB-CB 3.91Å; F228-A245 HydrophobicContact CE2-CB 3.86Å; D241-A245 PolarHBondContact O-N 3.47Å; D241-A245 VanDerWaalsContact O-N 3.16Å; I242-A245 VanDerWaalsContact O-CB 3.24Å; I242-A245 WeakPolarHBondContact O-CB 3.21Å; I242-A245 PolarHBondContact O-N 3.05Å; I243-A245 VanDerWaalsContact C-N 3.35Å
246K93.5Very high96.3Very high101 Ų10152.9 Ų52.944%0.43927%0.268SS..THydrogen-bonded Turntrans-96.10.2178.5-70.8-71.5-170.5168.30113.9F5 G220 N244F5-K246 HydrophobicContact CD1-CG 4.04Å; F5-K246 HydrophobicContact CD2-CD 4.45Å; F5-K246 HydrophobicContact CD2-CG 3.9Å; F5-K246 HydrophobicContact CE1-CG 4.13Å; F5-K246 HydrophobicContact CE2-CD 4.35Å; F5-K246 VanDerWaalsContact CE2-CE 3.46Å; F5-K246 HydrophobicContact CE2-CG 3.98Å; F5-K246 HydrophobicContact CG-CG 3.93Å; F5-K246 HydrophobicContact CZ-CG 4.08Å; G220-K246 WeakPolarHBondContact O-CE 3.21Å; G220-K246 PolarHBondContact O-NZ 3.22Å; N244-K246 PolarHBondContact O-N 3.18Å
247Q85.8Confident96.2Very high132 Ų13247.9 Ų47.962%0.61725%0.249SC*.  trans-88.10171.8-64-171.5-2.900112.9D33 K217 N244D33-Q247 VanDerWaalsContact CA-NE2 3.34Å; D33-Q247 HydrophobicContact CB-CG 4.24Å; D33-Q247 VanDerWaalsContact CB-NE2 3.26Å; D33-Q247 WeakPolarHBondContact OD2-CG 3.14Å; K217-Q247 PolarHBondContact NZ-O 2.93Å; N244-Q247 HydrophobicContact CB-CG 4.44Å; N244-Q247 WeakPolarHBondContact O-CB 3.48Å; N244-Q247 PolarHBondContact O-N 3.48Å

Retrieved 247 of 247 residues in 724.3 ms (Link to these results)

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