A0A3Q0KC68_SCHMA Loading...

Steroid dehydrogenase, putative

AlphaFold DB , UniProt , Accession A0A3Q0KC68, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 319 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M69.1Low73.2Confident197 Ų197122.5 Ų122.597%0.9763%0.629SS**  0-51.50-160.2-177.4-6300111.7E3 A4 L5M1-E3 PolarHBondContact O-N 3.13Å; M1-A4 PolarHBondContact O-N 3.47Å; M1-L5 HydrophobicContact CG-CD1 4.31Å; M1-L5 PolarHBondContact O-N 2.8Å
2V75.8Confident72.8Confident117 Ų117116.9 Ų116.971%0.70961%0.609SS**Hα-helixtrans-58.7-46.3179.4-179.80000113.1A4 L5 F6V2-A4 PolarHBondContact O-N 2.68Å; V2-L5 PolarHBondContact O-N 3.47Å; V2-F6 PolarHBondContact O-N 2.75Å
3E75.4Confident72.9Confident171 Ų171113.5 Ų113.580%0.79960%0.596SS**Hα-helixtrans-62.4-39.4179.8-66.4178.6166.400113.5M1 F6 S7M1-E3 PolarHBondContact O-N 3.13Å; E3-F6 PolarHBondContact O-N 3.42Å; E3-S7 PolarHBondContact O-N 3.13Å
4A75.3Confident73.3Confident63 Ų63109 Ų10952%0.52158%0.578SS.*Hα-helixtrans-64.8-44.7177.200000111.1M1 V2 F6 S7 V8M1-A4 PolarHBondContact O-N 3.47Å; V2-A4 PolarHBondContact O-N 2.68Å; A4-F6 VanDerWaalsContact C-N 3.34Å; A4-F6 PolarHBondContact O-N 3.3Å; A4-S7 PolarHBondContact O-N 2.73Å; A4-V8 WeakPolarHBondContact O-CG2 3.1Å; A4-V8 PolarHBondContact O-N 3.38Å
5L71.5Confident73.7Confident106 Ų106109.7 Ų109.756%0.55558%0.575SS**Hα-helixtrans-59.8-43.2173.7-104.1130000111.9M1 V2 V8 L9M1-L5 HydrophobicContact CG-CD1 4.31Å; M1-L5 PolarHBondContact O-N 2.8Å; V2-L5 PolarHBondContact O-N 3.47Å; L5-V8 PolarHBondContact O-N 3.42Å; L5-L9 WeakPolarHBondContact O-CB 3.02Å; L5-L9 VanDerWaalsContact O-CG 3.26Å; L5-L9 WeakPolarHBondContact O-CG 3.35Å; L5-L9 PolarHBondContact O-N 2.98Å
6F74.9Confident74.2Confident147 Ų147108.6 Ų108.665%0.64557%0.569SS**Hα-helixtrans-63.9-41.7178.5-143.7-88.4000112V2 E3 A4 L9 W10V2-F6 PolarHBondContact O-N 2.75Å; E3-F6 PolarHBondContact O-N 3.42Å; A4-F6 VanDerWaalsContact C-N 3.34Å; A4-F6 PolarHBondContact O-N 3.3Å; F6-L9 PolarHBondContact O-N 3.27Å; F6-W10 WeakPolarHBondContact O-CB 3.49Å; F6-W10 PolarHBondContact O-N 3.3Å
7S74.4Confident74.9Confident59 Ų59108.1 Ų108.141%0.41357%0.566SS.*Hα-helixtrans-63-46.9175-179.60000112E3 A4 L9 W10 H11E3-S7 PolarHBondContact O-N 3.13Å; A4-S7 PolarHBondContact O-N 2.73Å; S7-L9 PolarHBondContact O-N 3.39Å; S7-W10 PolarHBondContact O-N 3.41Å; S7-H11 PolarHBondContact O-N 3.4Å; S7-H11 PolarHBondContact O-ND1 3.08Å; S7-H11 PolarHBondContact OG-CE1 3.41Å; S7-H11 PolarHBondContact OG-ND1 3.36Å
8V73.4Confident75.4Confident95 Ų95108.6 Ų108.658%0.57657%0.569SS**Hα-helixtrans-62-43.1177.6174.50000111.4A4 L5 S12A4-V8 WeakPolarHBondContact O-CG2 3.1Å; A4-V8 PolarHBondContact O-N 3.38Å; L5-V8 PolarHBondContact O-N 3.42Å; V8-S12 VanDerWaalsContact O-CB 3.3Å; V8-S12 WeakPolarHBondContact O-CB 3.27Å; V8-S12 PolarHBondContact O-N 2.9Å; V8-S12 PolarHBondContact O-OG 3.16Å
9L69.4Low76.1Confident102 Ų102108.1 Ų108.153%0.53456%0.563SS.*Hα-helixtrans-64-44.2176.2-72.2169.5000111.7L5 F6 S7 S12 V13L5-L9 WeakPolarHBondContact O-CB 3.02Å; L5-L9 VanDerWaalsContact O-CG 3.26Å; L5-L9 WeakPolarHBondContact O-CG 3.35Å; L5-L9 PolarHBondContact O-N 2.98Å; F6-L9 PolarHBondContact O-N 3.27Å; S7-L9 PolarHBondContact O-N 3.39Å; L9-S12 PolarHBondContact O-N 2.71Å; L9-V13 WeakPolarHBondContact O-CB 3.46Å; L9-V13 VanDerWaalsContact O-CG2 3.28Å; L9-V13 WeakPolarHBondContact O-CG2 3.15Å; L9-V13 PolarHBondContact O-N 3.48Å
10W69.5Low76.7Confident175 Ų175106.1 Ų106.166%0.66356%0.556SS**Hα-helixtrans-62-46.6177.1-177.9-99.9000112.5F6 S7 S12 V13 S14F6-W10 WeakPolarHBondContact O-CB 3.49Å; F6-W10 PolarHBondContact O-N 3.3Å; S7-W10 PolarHBondContact O-N 3.41Å; W10-S12 VanDerWaalsContact C-N 3.32Å; W10-S12 PolarHBondContact O-N 3.35Å; W10-V13 PolarHBondContact O-N 3.22Å; W10-S14 VanDerWaalsContact O-CB 3.29Å; W10-S14 WeakPolarHBondContact O-CB 3.49Å; W10-S14 PolarHBondContact O-N 3.46Å; W10-S14 PolarHBondContact O-OG 3.39Å
11H76.1Confident77.3Confident116 Ų116105.6 Ų105.654%0.53755%0.554SS.*Hα-helixtrans-62.1-41.7176.3-74.784.3000111S7 S14 F15S7-H11 PolarHBondContact O-N 3.4Å; S7-H11 PolarHBondContact O-ND1 3.08Å; S7-H11 PolarHBondContact OG-CE1 3.41Å; S7-H11 PolarHBondContact OG-ND1 3.36Å; H11-S14 WeakPolarHBondContact CA-OG 3.42Å; H11-S14 PolarHBondContact O-N 3.08Å; H11-S14 PolarHBondContact O-OG 3.17Å; H11-F15 VanDerWaalsContact O-CB 3.28Å; H11-F15 WeakPolarHBondContact O-CB 3.01Å; H11-F15 PolarHBondContact O-N 3.1Å
12S69Low78.2Confident55 Ų5598.1 Ų98.139%0.38553%0.527SS..Hα-helixtrans-63.7-46.8176.8-57.80000112V8 L9 W10 S14 F15 I16V8-S12 VanDerWaalsContact O-CB 3.3Å; V8-S12 WeakPolarHBondContact O-CB 3.27Å; V8-S12 PolarHBondContact O-N 2.9Å; V8-S12 PolarHBondContact O-OG 3.16Å; L9-S12 PolarHBondContact O-N 2.71Å; W10-S12 VanDerWaalsContact C-N 3.32Å; W10-S12 PolarHBondContact O-N 3.35Å; S12-S14 PolarHBondContact O-N 3.16Å; S12-F15 PolarHBondContact O-N 3.02Å; S12-I16 WeakPolarHBondContact O-CB 3.49Å; S12-I16 WeakPolarHBondContact O-CD1 3.45Å; S12-I16 VanDerWaalsContact O-CG1 3.23Å; S12-I16 WeakPolarHBondContact O-CG1 3.43Å; S12-I16 PolarHBondContact O-N 3.24Å
13V74.3Confident79Confident72 Ų7298.2 Ų98.244%0.43652%0.522SS..Hα-helixtrans-63.5-41.8176.5171.10000110.9L9 W10 F15 I16 N17L9-V13 WeakPolarHBondContact O-CB 3.46Å; L9-V13 VanDerWaalsContact O-CG2 3.28Å; L9-V13 WeakPolarHBondContact O-CG2 3.15Å; L9-V13 PolarHBondContact O-N 3.48Å; W10-V13 PolarHBondContact O-N 3.22Å; V13-F15 VanDerWaalsContact C-N 3.33Å; V13-F15 PolarHBondContact O-N 2.57Å; V13-I16 PolarHBondContact O-N 2.84Å; V13-N17 WeakPolarHBondContact O-CB 3.39Å; V13-N17 PolarHBondContact O-N 3.47Å; V13-N17 PolarHBondContact O-ND2 2.94Å
14S77.9Confident79.8Confident51 Ų5195.1 Ų95.136%0.35751%0.51SS..Hα-helixtrans-63.9-38.7176.875.80000112.4W10 H11 S12 N17 L18W10-S14 VanDerWaalsContact O-CB 3.29Å; W10-S14 WeakPolarHBondContact O-CB 3.49Å; W10-S14 PolarHBondContact O-N 3.46Å; W10-S14 PolarHBondContact O-OG 3.39Å; H11-S14 WeakPolarHBondContact CA-OG 3.42Å; H11-S14 PolarHBondContact O-N 3.08Å; H11-S14 PolarHBondContact O-OG 3.17Å; S12-S14 PolarHBondContact O-N 3.16Å; S14-N17 PolarHBondContact O-N 2.86Å; S14-L18 WeakPolarHBondContact O-CB 3.06Å; S14-L18 PolarHBondContact O-N 3.16Å
15F79.6Confident80.5Confident120 Ų12096 Ų9653%0.52651%0.506SS..Hα-helixtrans-69.7-43.9177.6-174.8-106.2000111.4H11 S12 V13 N17 L18 Q19H11-F15 VanDerWaalsContact O-CB 3.28Å; H11-F15 WeakPolarHBondContact O-CB 3.01Å; H11-F15 PolarHBondContact O-N 3.1Å; S12-F15 PolarHBondContact O-N 3.02Å; V13-F15 VanDerWaalsContact C-N 3.33Å; V13-F15 PolarHBondContact O-N 2.57Å; F15-N17 VanDerWaalsContact C-N 3.34Å; F15-N17 PolarHBondContact O-N 3.28Å; F15-L18 PolarHBondContact O-N 3.35Å; F15-Q19 HydrophobicContact CD1-CG 4.41Å; F15-Q19 HydrophobicContact CE1-CG 4.22Å; F15-Q19 HydrophobicContact CZ-CG 4.4Å; F15-Q19 VanDerWaalsContact CZ-NE2 3.3Å; F15-Q19 WeakPolarHBondContact O-CG 3.34Å; F15-Q19 PolarHBondContact O-N 3.34Å
16I81.8Confident81.4Confident92 Ų9297.5 Ų97.547%0.47251%0.508SS..Hα-helixtrans-58.8-47.2173.2-68.5163.2000110S12 V13 L18 Q19 T20S12-I16 WeakPolarHBondContact O-CB 3.49Å; S12-I16 WeakPolarHBondContact O-CD1 3.45Å; S12-I16 VanDerWaalsContact O-CG1 3.23Å; S12-I16 WeakPolarHBondContact O-CG1 3.43Å; S12-I16 PolarHBondContact O-N 3.24Å; V13-I16 PolarHBondContact O-N 2.84Å; I16-L18 VanDerWaalsContact C-N 3.33Å; I16-L18 PolarHBondContact O-N 3.47Å; I16-Q19 WeakPolarHBondContact O-CB 3.41Å; I16-Q19 PolarHBondContact O-N 3.13Å; I16-T20 PolarHBondContact O-N 2.96Å; I16-T20 PolarHBondContact O-OG1 3.32Å
17N85.2Confident82.3Confident99 Ų9992.2 Ų92.253%0.52950%0.495SS..Hα-helixtrans-60.5-40.8177.9-73.2-23.3000112.4V13 S14 F15 T20 L21V13-N17 WeakPolarHBondContact O-CB 3.39Å; V13-N17 PolarHBondContact O-N 3.47Å; V13-N17 PolarHBondContact O-ND2 2.94Å; S14-N17 PolarHBondContact O-N 2.86Å; F15-N17 VanDerWaalsContact C-N 3.34Å; F15-N17 PolarHBondContact O-N 3.28Å; N17-T20 PolarHBondContact O-N 2.96Å; N17-L21 WeakPolarHBondContact O-CB 3.38Å; N17-L21 PolarHBondContact O-N 3.03Å
18L84.9Confident83.1Confident117 Ų11794 Ų9461%0.61350%0.499SS*.Hα-helixtrans-66.3-40.8176.4-173.666.7000111.9S14 F15 I16 L21 G22S14-L18 WeakPolarHBondContact O-CB 3.06Å; S14-L18 PolarHBondContact O-N 3.16Å; F15-L18 PolarHBondContact O-N 3.35Å; I16-L18 VanDerWaalsContact C-N 3.33Å; I16-L18 PolarHBondContact O-N 3.47Å; L18-L21 PolarHBondContact O-N 3.28Å; L18-G22 PolarHBondContact O-N 3.18Å
19Q88Confident84Confident100 Ų10093.5 Ų93.547%0.46749%0.487SS..Hα-helixtrans-63.2-46.3173.9-73.5-174.7-1900111.6F15 I16 L21 G22 I23F15-Q19 HydrophobicContact CD1-CG 4.41Å; F15-Q19 HydrophobicContact CE1-CG 4.22Å; F15-Q19 HydrophobicContact CZ-CG 4.4Å; F15-Q19 VanDerWaalsContact CZ-NE2 3.3Å; F15-Q19 WeakPolarHBondContact O-CG 3.34Å; F15-Q19 PolarHBondContact O-N 3.34Å; I16-Q19 WeakPolarHBondContact O-CB 3.41Å; I16-Q19 PolarHBondContact O-N 3.13Å; Q19-L21 VanDerWaalsContact C-N 3.34Å; Q19-L21 PolarHBondContact O-N 3.5Å; Q19-G22 PolarHBondContact O-N 3.18Å; Q19-I23 VanDerWaalsContact O-CG1 3.32Å; Q19-I23 WeakPolarHBondContact O-CG1 3.43Å; Q19-I23 PolarHBondContact O-N 2.81Å
20T88.7Confident85.1Confident68 Ų6893.5 Ų93.542%0.41748%0.483SS..Hα-helixtrans-59.6-45.3176.7-56.50000110.9I16 N17 G22 I23 L24I16-T20 PolarHBondContact O-N 2.96Å; I16-T20 PolarHBondContact O-OG1 3.32Å; N17-T20 PolarHBondContact O-N 2.96Å; T20-G22 VanDerWaalsContact C-N 3.34Å; T20-G22 PolarHBondContact O-N 3.39Å; T20-I23 PolarHBondContact O-N 3.44Å; T20-L24 HydrophobicContact CG2-CD1 4.16Å; T20-L24 WeakPolarHBondContact O-CB 3.19Å; T20-L24 VanDerWaalsContact O-CG 3.29Å; T20-L24 WeakPolarHBondContact O-CG 3.36Å; T20-L24 PolarHBondContact O-N 3.4Å
21L88.2Confident86.4Confident96 Ų9692.4 Ų92.450%0.50348%0.48SS..Hα-helixtrans-60.9-43.4175-177.962.5000111.6N17 L18 Q19 L24 L25N17-L21 WeakPolarHBondContact O-CB 3.38Å; N17-L21 PolarHBondContact O-N 3.03Å; L18-L21 PolarHBondContact O-N 3.28Å; Q19-L21 VanDerWaalsContact C-N 3.34Å; Q19-L21 PolarHBondContact O-N 3.5Å; L21-L24 PolarHBondContact O-N 3.34Å; L21-L25 HydrophobicContact CD1-CD1 4.37Å; L21-L25 HydrophobicContact CD1-CG 4.32Å; L21-L25 HydrophobicContact CG-CD1 4.12Å; L21-L25 HydrophobicContact CG-CG 4.48Å; L21-L25 WeakPolarHBondContact O-CB 3.21Å; L21-L25 VanDerWaalsContact O-CG 3.29Å; L21-L25 WeakPolarHBondContact O-CG 3.48Å; L21-L25 PolarHBondContact O-N 2.94Å
22G90.1Very high87.2Confident39 Ų3991.1 Ų91.140%0.40247%0.47SS..Hα-helixtrans-59.6-44.8175.800000112.9L18 Q19 T20 L25 F26L18-G22 PolarHBondContact O-N 3.18Å; Q19-G22 PolarHBondContact O-N 3.18Å; T20-G22 VanDerWaalsContact C-N 3.34Å; T20-G22 PolarHBondContact O-N 3.39Å; G22-L25 PolarHBondContact O-N 2.76Å; G22-F26 WeakPolarHBondContact O-CB 3.39Å; G22-F26 PolarHBondContact O-N 3.44Å
23I91.9Very high88.5Confident119 Ų11991 Ų9161%0.6147%0.465SS*.Hα-helixtrans-64.1-44.1176.6-68.4165.5000110.9Q19 T20 F26 G27Q19-I23 VanDerWaalsContact O-CG1 3.32Å; Q19-I23 WeakPolarHBondContact O-CG1 3.43Å; Q19-I23 PolarHBondContact O-N 2.81Å; T20-I23 PolarHBondContact O-N 3.44Å; I23-F26 PolarHBondContact O-N 2.85Å; I23-G27 PolarHBondContact O-N 3.02Å
24L91.9Very high89.5Confident107 Ų10791.6 Ų91.656%0.5647%0.465SS*.Hα-helixtrans-62.8-46.3177.8-72.4172.1000111.5T20 L21 G27 I28T20-L24 HydrophobicContact CG2-CD1 4.16Å; T20-L24 WeakPolarHBondContact O-CB 3.19Å; T20-L24 VanDerWaalsContact O-CG 3.29Å; T20-L24 WeakPolarHBondContact O-CG 3.36Å; T20-L24 PolarHBondContact O-N 3.4Å; L21-L24 PolarHBondContact O-N 3.34Å; L24-G27 PolarHBondContact O-N 2.75Å; L24-I28 WeakPolarHBondContact O-CG1 3.28Å; L24-I28 PolarHBondContact O-N 2.85Å
25L89.7Confident90.4Very high81 Ų8193.8 Ų93.842%0.42447%0.468SS..Hα-helixtrans-61.2-47.8176.1-71.8174.5000111.1L21 G22 G27 I28 Y29L21-L25 HydrophobicContact CD1-CD1 4.37Å; L21-L25 HydrophobicContact CD1-CG 4.32Å; L21-L25 HydrophobicContact CG-CD1 4.12Å; L21-L25 HydrophobicContact CG-CG 4.48Å; L21-L25 WeakPolarHBondContact O-CB 3.21Å; L21-L25 VanDerWaalsContact O-CG 3.29Å; L21-L25 WeakPolarHBondContact O-CG 3.48Å; L21-L25 PolarHBondContact O-N 2.94Å; G22-L25 PolarHBondContact O-N 2.76Å; L25-G27 VanDerWaalsContact C-N 3.31Å; L25-G27 PolarHBondContact O-N 2.9Å; L25-I28 PolarHBondContact O-N 3.2Å; L25-Y29 WeakPolarHBondContact O-CD2 3.44Å; L25-Y29 PolarHBondContact O-N 3.46Å
26F90.9Very high91.2Very high138 Ų13889.1 Ų89.161%0.60545%0.448SS*.Hα-helixtrans-56.8-46175.2177.9-96.2000111.4G22 I23 I28 Y29 F30G22-F26 WeakPolarHBondContact O-CB 3.39Å; G22-F26 PolarHBondContact O-N 3.44Å; I23-F26 PolarHBondContact O-N 2.85Å; F26-I28 VanDerWaalsContact C-N 3.34Å; F26-I28 PolarHBondContact O-N 3.28Å; F26-Y29 PolarHBondContact O-N 2.93Å; F26-F30 HydrophobicContact CE1-CB 4.22Å; F26-F30 HydrophobicContact CE1-CG 4.29Å; F26-F30 HydrophobicContact CZ-CB 4.44Å; F26-F30 HydrophobicContact CZ-CD2 4.33Å; F26-F30 HydrophobicContact CZ-CG 4.41Å; F26-F30 WeakPolarHBondContact O-CB 3.46Å; F26-F30 PolarHBondContact O-N 2.99Å
27G93.1Very high92Very high35 Ų3587.4 Ų87.436%0.36144%0.444SS..Hα-helixtrans-57.7-42.5176.400000112.9I23 L24 L25 Y31I23-G27 PolarHBondContact O-N 3.02Å; L24-G27 PolarHBondContact O-N 2.75Å; L25-G27 VanDerWaalsContact C-N 3.31Å; L25-G27 PolarHBondContact O-N 2.9Å; G27-Y31 WeakPolarHBondContact O-CB 3.29Å; G27-Y31 PolarHBondContact O-N 3.35Å
28I91.6Very high92.6Very high97 Ų9787 Ų8750%0.49744%0.436SS..Hα-helixtrans-63.2-49.4176.5-68.7164.3000111.1L24 L25 F26 Y31 R32L24-I28 WeakPolarHBondContact O-CG1 3.28Å; L24-I28 PolarHBondContact O-N 2.85Å; L25-I28 PolarHBondContact O-N 3.2Å; F26-I28 VanDerWaalsContact C-N 3.34Å; F26-I28 PolarHBondContact O-N 3.28Å; I28-Y31 PolarHBondContact O-N 3.02Å; I28-R32 WeakPolarHBondContact O-CG 3.44Å; I28-R32 PolarHBondContact O-N 2.76Å
29Y91.8Very high93.2Very high84 Ų8482.2 Ų82.233%0.32941%0.41SS..Hα-helixtrans-64-43.9179-75.9-66.9000111.6L25 F26 R32 L33 Y293 S297L25-Y29 WeakPolarHBondContact O-CD2 3.44Å; L25-Y29 PolarHBondContact O-N 3.46Å; F26-Y29 PolarHBondContact O-N 2.93Å; Y29-R32 WeakPolarHBondContact O-CB 3.37Å; Y29-R32 PolarHBondContact O-N 3.26Å; Y29-L33 PolarHBondContact O-N 3.06Å; Y29-Y293 HydrophobicContact CD1-CE2 4.31Å; Y29-Y293 VanDerWaalsContact O-CE2 3.31Å; Y29-Y293 WeakPolarHBondContact O-CE2 3.43Å; Y29-Y293 PolarHBondContact O-OH 3.22Å; Y29-S297 WeakPolarHBondContact CD1-OG 3.33Å; Y29-S297 VanDerWaalsContact CE1-OG 3.3Å; Y29-S297 WeakPolarHBondContact CE1-OG 3.28Å
30F94Very high93.6Very high103 Ų10378.3 Ų78.345%0.45239%0.391SS..Hα-helixtrans-64.6-42.8178.7-170.5-116.1000112.1F26 R32 L33 I34F26-F30 HydrophobicContact CE1-CB 4.22Å; F26-F30 HydrophobicContact CE1-CG 4.29Å; F26-F30 HydrophobicContact CZ-CB 4.44Å; F26-F30 HydrophobicContact CZ-CD2 4.33Å; F26-F30 HydrophobicContact CZ-CG 4.41Å; F26-F30 WeakPolarHBondContact O-CB 3.46Å; F26-F30 PolarHBondContact O-N 2.99Å; F30-R32 VanDerWaalsContact C-N 3.34Å; F30-R32 PolarHBondContact O-N 3.43Å; F30-L33 PolarHBondContact O-N 3.02Å; F30-I34 HydrophobicContact CD1-CD1 3.62Å; F30-I34 HydrophobicContact CD1-CG1 4.45Å; F30-I34 HydrophobicContact CE1-CD1 3.28Å; F30-I34 HydrophobicContact CE1-CG1 4.21Å; F30-I34 HydrophobicContact CE2-CD1 4.47Å; F30-I34 HydrophobicContact CG-CD1 4.36Å; F30-I34 HydrophobicContact CZ-CD1 3.75Å; F30-I34 HydrophobicContact CZ-CG1 4.27Å; F30-I34 WeakPolarHBondContact O-CG1 3.32Å; F30-I34 PolarHBondContact O-N 2.96Å
31Y95.1Very high94Very high151 Ų15177.6 Ų77.659%0.59239%0.389SS*.Hα-helixtrans-58.5-44.5172.8170.5-101.9000111.9G27 I28 L33 I34 K35G27-Y31 WeakPolarHBondContact O-CB 3.29Å; G27-Y31 PolarHBondContact O-N 3.35Å; I28-Y31 PolarHBondContact O-N 3.02Å; Y31-L33 VanDerWaalsContact C-N 3.3Å; Y31-L33 PolarHBondContact O-N 2.93Å; Y31-I34 PolarHBondContact O-N 3.13Å; Y31-K35 HydrophobicContact CE1-CD 4.43Å; Y31-K35 WeakPolarHBondContact O-CB 3.48Å; Y31-K35 PolarHBondContact O-N 3.08Å
32R94.1Very high94.4Very high90 Ų9077.2 Ų77.234%0.3439%0.387SS..Hα-helixtrans-59.7-40.9176-72.6177.169.6-161.3-1.6111.7I28 Y29 F30 K35 I36 Y293 T296I28-R32 WeakPolarHBondContact O-CG 3.44Å; I28-R32 PolarHBondContact O-N 2.76Å; Y29-R32 WeakPolarHBondContact O-CB 3.37Å; Y29-R32 PolarHBondContact O-N 3.26Å; F30-R32 VanDerWaalsContact C-N 3.34Å; F30-R32 PolarHBondContact O-N 3.43Å; R32-K35 PolarHBondContact O-N 2.95Å; R32-I36 WeakPolarHBondContact O-CG1 3.26Å; R32-I36 PolarHBondContact O-N 2.88Å; R32-I36 VanDerWaalsContact O-N 3.11Å; R32-Y293 HydrophobicContact CB-CD2 4.18Å; R32-Y293 HydrophobicContact CB-CE2 4.02Å; R32-T296 PolarHBondContact NH2-OG1 3.48Å
33L95.6Very high94.7Very high51 Ų5175.3 Ų75.327%0.26737%0.368SS..Hα-helixtrans-66.5-46.9177-177.462000112Y29 F30 Y31 K35 I36 C37 L290 Y293Y29-L33 PolarHBondContact O-N 3.06Å; F30-L33 PolarHBondContact O-N 3.02Å; Y31-L33 VanDerWaalsContact C-N 3.3Å; Y31-L33 PolarHBondContact O-N 2.93Å; L33-K35 VanDerWaalsContact C-N 3.28Å; L33-K35 PolarHBondContact O-N 2.88Å; L33-I36 WeakPolarHBondContact O-CB 3.25Å; L33-I36 PolarHBondContact O-N 3.28Å; L33-C37 PolarHBondContact O-N 3Å; L33-C37 PolarHBondContact O-SG 3.33Å; L33-L290 HydrophobicContact CD1-CD1 4.17Å; L33-Y293 HydrophobicContact CB-CE1 4.49Å; L33-Y293 HydrophobicContact CB-CE2 4.24Å; L33-Y293 HydrophobicContact CD1-CD1 4.37Å; L33-Y293 HydrophobicContact CD1-CE1 4.33Å
34I96.4Very high94.9Very high85 Ų8574.9 Ų74.944%0.43636%0.358SS..Hα-helixtrans-58.1-43.7175.2-71.3171.7000110.5F30 Y31 I36 C37 Y38F30-I34 HydrophobicContact CD1-CD1 3.62Å; F30-I34 HydrophobicContact CD1-CG1 4.45Å; F30-I34 HydrophobicContact CE1-CD1 3.28Å; F30-I34 HydrophobicContact CE1-CG1 4.21Å; F30-I34 HydrophobicContact CE2-CD1 4.47Å; F30-I34 HydrophobicContact CG-CD1 4.36Å; F30-I34 HydrophobicContact CZ-CD1 3.75Å; F30-I34 HydrophobicContact CZ-CG1 4.27Å; F30-I34 WeakPolarHBondContact O-CG1 3.32Å; F30-I34 PolarHBondContact O-N 2.96Å; Y31-I34 PolarHBondContact O-N 3.13Å; I34-I36 VanDerWaalsContact C-N 3.32Å; I34-I36 PolarHBondContact O-N 3.13Å; I34-C37 PolarHBondContact O-N 3.1Å; I34-Y38 WeakPolarHBondContact O-CB 3.26Å; I34-Y38 PolarHBondContact O-N 3Å
35K96.1Very high95.1Very high98 Ų9876 Ų7643%0.42636%0.363SS..Hα-helixtrans-59-42.7177.8-177.2177.6177.3177.30111.7Y31 R32 L33 Y38 N39Y31-K35 HydrophobicContact CE1-CD 4.43Å; Y31-K35 WeakPolarHBondContact O-CB 3.48Å; Y31-K35 PolarHBondContact O-N 3.08Å; R32-K35 PolarHBondContact O-N 2.95Å; L33-K35 VanDerWaalsContact C-N 3.28Å; L33-K35 PolarHBondContact O-N 2.88Å; K35-Y38 PolarHBondContact O-N 3.43Å; K35-N39 VanDerWaalsContact O-CB 3.27Å; K35-N39 WeakPolarHBondContact O-CB 3.45Å; K35-N39 VanDerWaalsContact O-CG 3.29Å; K35-N39 PolarHBondContact O-N 2.94Å
36I97Very high95.4Very high22 Ų2277.3 Ų77.311%0.11337%0.37CS..Hα-helixtrans-60.3-50.3174.7-68.7164.7000110.2R32 L33 I34 Y38 N39 Y40 F286 A289 Y293R32-I36 WeakPolarHBondContact O-CG1 3.26Å; R32-I36 PolarHBondContact O-N 2.88Å; R32-I36 VanDerWaalsContact O-N 3.11Å; L33-I36 WeakPolarHBondContact O-CB 3.25Å; L33-I36 PolarHBondContact O-N 3.28Å; I34-I36 VanDerWaalsContact C-N 3.32Å; I34-I36 PolarHBondContact O-N 3.13Å; I36-Y38 PolarHBondContact O-N 3.47Å; I36-N39 PolarHBondContact O-N 2.86Å; I36-Y40 HydrophobicContact CG2-CD2 4.11Å; I36-Y40 WeakPolarHBondContact O-CD2 3.25Å; I36-Y40 PolarHBondContact O-N 2.89Å; I36-Y40 VanDerWaalsContact O-N 3.09Å; I36-F286 HydrophobicContact CG2-CD2 3.91Å; I36-F286 HydrophobicContact CG2-CE2 3.88Å; I36-A289 HydrophobicContact CD1-CB 4.46Å; I36-A289 HydrophobicContact CG1-CB 4.37Å; I36-A289 HydrophobicContact CG2-CB 3.66Å; I36-Y293 HydrophobicContact CD1-CD2 4.28Å; I36-Y293 HydrophobicContact CD1-CG 4.2Å
37C97.2Very high95.6Very high55 Ų5575.5 Ų75.537%0.37236%0.362SS..Hα-helixtrans-58.5-46.8178.6-67.90000111.5L33 I34 S41L33-C37 PolarHBondContact O-N 3Å; L33-C37 PolarHBondContact O-SG 3.33Å; I34-C37 PolarHBondContact O-N 3.1Å; C37-S41 VanDerWaalsContact O-CB 3.27Å; C37-S41 WeakPolarHBondContact O-CB 3.38Å; C37-S41 PolarHBondContact O-N 2.95Å; C37-S41 VanDerWaalsContact O-N 3.09Å; C37-S41 PolarHBondContact O-OG 3.4Å
38Y97.7Very high95.8Very high92 Ų9275.2 Ų75.236%0.36136%0.355SS..Hα-helixtrans-59.8-51.7177.9176.2-95.7000111.6I34 K35 I36 Y40 S41 I42 G43 F47I34-Y38 WeakPolarHBondContact O-CB 3.26Å; I34-Y38 PolarHBondContact O-N 3Å; K35-Y38 PolarHBondContact O-N 3.43Å; I36-Y38 PolarHBondContact O-N 3.47Å; Y38-Y40 PolarHBondContact O-N 3.19Å; Y38-S41 PolarHBondContact O-N 2.99Å; Y38-S41 PolarHBondContact O-OG 2.78Å; Y38-I42 HydrophobicContact CD2-CB 4.16Å; Y38-I42 HydrophobicContact CD2-CD1 4.39Å; Y38-I42 HydrophobicContact CE2-CB 4.01Å; Y38-I42 HydrophobicContact CE2-CD1 4.48Å; Y38-I42 HydrophobicContact CE2-CG2 3.89Å; Y38-I42 PolarHBondContact O-N 3.2Å; Y38-G43 PolarHBondContact O-N 3.09Å; Y38-F47 HydrophobicContact CE1-CE2 4.38Å; Y38-F47 WeakPolarHBondContact OH-CE2 3.47Å
39N97.2Very high96Very high15 Ų1574 Ų748%0.0835%0.346CS..Iπ-helixtrans-59.7-46.2-177-80.4-1.2000112.2K35 I36 S41 R44 M275 V278 E279K35-N39 VanDerWaalsContact O-CB 3.27Å; K35-N39 WeakPolarHBondContact O-CB 3.45Å; K35-N39 VanDerWaalsContact O-CG 3.29Å; K35-N39 PolarHBondContact O-N 2.94Å; I36-N39 PolarHBondContact O-N 2.86Å; N39-S41 VanDerWaalsContact C-N 3.34Å; N39-S41 PolarHBondContact O-N 2.62Å; N39-R44 PolarHBondContact O-N 3.25Å; N39-M275 HydrophobicContact CB-CE 3.98Å; N39-V278 HydrophobicContact CB-CG1 4.39Å; N39-E279 PolarHBondContact ND2-OE1 3.41Å
40Y97.2Very high96.2Very high18 Ų1870.4 Ų70.47%0.07133%0.332CS..Iπ-helixtrans-81.8-7.4-178.6-77.8-82.6000114.5I36 Y38 R44 M275 T282 G284 C285 F286 A289I36-Y40 HydrophobicContact CG2-CD2 4.11Å; I36-Y40 WeakPolarHBondContact O-CD2 3.25Å; I36-Y40 PolarHBondContact O-N 2.89Å; I36-Y40 VanDerWaalsContact O-N 3.09Å; Y38-Y40 PolarHBondContact O-N 3.19Å; Y40-R44 VanDerWaalsContact O-CD 3.23Å; Y40-R44 WeakPolarHBondContact O-CD 3.3Å; Y40-R44 PolarHBondContact O-NE 3.22Å; Y40-R44 VanDerWaalsContact O-NE 3.07Å; Y40-M275 HydrophobicContact CD1-CG 4.43Å; Y40-M275 HydrophobicContact CD1-SD 3.85Å; Y40-M275 HydrophobicContact CE1-CE 4.43Å; Y40-M275 HydrophobicContact CE1-CG 3.74Å; Y40-M275 HydrophobicContact CE1-SD 3.72Å; Y40-M275 HydrophobicContact CE2-CE 4.33Å; Y40-M275 HydrophobicContact CG-SD 4.36Å; Y40-T282 PolarHBondContact OH-OG1 3.17Å; Y40-G284 PolarHBondContact OH-N 3.26Å; Y40-C285 VanDerWaalsContact CE1-CA 3.48Å; Y40-C285 VanDerWaalsContact CZ-C 3.48Å; Y40-C285 PolarHBondContact OH-N 2.9Å; Y40-F286 HydrophobicContact CD1-CB 3.94Å; Y40-F286 HydrophobicContact CD2-CB 4.43Å; Y40-F286 HydrophobicContact CD2-CD2 4.19Å; Y40-F286 VanDerWaalsContact CE1-N 3.29Å; Y40-F286 HydrophobicContact CG-CB 3.87Å; Y40-F286 HydrophobicContact CG-CD2 4.07Å; Y40-F286 HydrophobicContact CG-CG 4.48Å; Y40-A289 HydrophobicContact CD2-CB 4.28Å; Y40-A289 HydrophobicContact CE2-CB 3.57Å
41S96.8Very high96.3Very high54 Ų5471.7 Ų71.738%0.37834%0.337SS..Iπ-helixtrans-105.3-77.3174.1590000111.6C37 Y38 N39 R44 I45C37-S41 VanDerWaalsContact O-CB 3.27Å; C37-S41 WeakPolarHBondContact O-CB 3.38Å; C37-S41 PolarHBondContact O-N 2.95Å; C37-S41 VanDerWaalsContact O-N 3.09Å; C37-S41 PolarHBondContact O-OG 3.4Å; Y38-S41 PolarHBondContact O-N 2.99Å; Y38-S41 PolarHBondContact O-OG 2.78Å; N39-S41 VanDerWaalsContact C-N 3.34Å; N39-S41 PolarHBondContact O-N 2.62Å; S41-R44 WeakPolarHBondContact O-CG 3.47Å; S41-I45 WeakPolarHBondContact O-CD1 3.41Å; S41-I45 WeakPolarHBondContact O-CG1 3.49Å
42I96.9Very high96.2Very high87 Ų8767 Ų6745%0.44632%0.322SS..Iπ-helixtrans-85.2-44.1-173.6-61.8171.2000111Y38 R44 I45 L46Y38-I42 HydrophobicContact CD2-CB 4.16Å; Y38-I42 HydrophobicContact CD2-CD1 4.39Å; Y38-I42 HydrophobicContact CE2-CB 4.01Å; Y38-I42 HydrophobicContact CE2-CD1 4.48Å; Y38-I42 HydrophobicContact CE2-CG2 3.89Å; Y38-I42 PolarHBondContact O-N 3.2Å; I42-R44 VanDerWaalsContact C-N 3.35Å; I42-R44 PolarHBondContact O-N 2.93Å; I42-I45 WeakPolarHBondContact O-CB 3.21Å; I42-I45 PolarHBondContact O-N 2.71Å; I42-L46 HydrophobicContact CG2-CD1 3.52Å; I42-L46 HydrophobicContact CG2-CG 3.97Å; I42-L46 PolarHBondContact O-N 2.81Å
43G96.2Very high96.4Very high0 Ų062.8 Ų62.80%031%0.307CS..Iπ-helixtrans-58.4-43.2-174.700000113Y38 I45 L46 F47Y38-G43 PolarHBondContact O-N 3.09Å; G43-I45 VanDerWaalsContact C-N 3.25Å; G43-I45 PolarHBondContact O-N 3.43Å; G43-L46 PolarHBondContact O-N 2.9Å; G43-F47 WeakPolarHBondContact O-CB 3.33Å; G43-F47 PolarHBondContact O-N 2.89Å
44R96.3Very high96.4Very high109 Ų10965.6 Ų65.641%0.41132%0.317SS..Hα-helixtrans-63.1-26.817468.8170.3-170.9162.43.2114.3N39 Y40 S41 I42 S48 M275N39-R44 PolarHBondContact O-N 3.25Å; Y40-R44 VanDerWaalsContact O-CD 3.23Å; Y40-R44 WeakPolarHBondContact O-CD 3.3Å; Y40-R44 PolarHBondContact O-NE 3.22Å; Y40-R44 VanDerWaalsContact O-NE 3.07Å; S41-R44 WeakPolarHBondContact O-CG 3.47Å; I42-R44 VanDerWaalsContact C-N 3.35Å; I42-R44 PolarHBondContact O-N 2.93Å; R44-S48 WeakPolarHBondContact O-CB 3.49Å; R44-M275 HydrophobicContact CB-SD 4.19Å
45I96.1Very high96.4Very high130 Ų13069.5 Ų69.567%0.66733%0.327SS*.Hα-helixtrans-79.4-42.8178.6-62.6173000109.3S41 I42 G43S41-I45 WeakPolarHBondContact O-CD1 3.41Å; S41-I45 WeakPolarHBondContact O-CG1 3.49Å; I42-I45 WeakPolarHBondContact O-CB 3.21Å; I42-I45 PolarHBondContact O-N 2.71Å; G43-I45 VanDerWaalsContact C-N 3.25Å; G43-I45 PolarHBondContact O-N 3.43Å
46L96Very high96.4Very high109 Ų10964.9 Ų64.957%0.57131%0.307SS*.Hα-helixtrans-80.9-37.2-174.6-62.4-178.2000113.7I42 G43I42-L46 HydrophobicContact CG2-CD1 3.52Å; I42-L46 HydrophobicContact CG2-CG 3.97Å; I42-L46 PolarHBondContact O-N 2.81Å; G43-L46 PolarHBondContact O-N 2.9Å
47F95.6Very high96.4Very high100 Ų10063.9 Ų63.944%0.43930%0.302SS..Hα-helixtrans-118-7-164.9-54.7-59.7000114.9Y38 G43 K49 V278Y38-F47 HydrophobicContact CE1-CE2 4.38Å; Y38-F47 WeakPolarHBondContact OH-CE2 3.47Å; G43-F47 WeakPolarHBondContact O-CB 3.33Å; G43-F47 PolarHBondContact O-N 2.89Å; F47-K49 PolarHBondContact O-N 2.87Å; F47-V278 HydrophobicContact CB-CG2 4.25Å
48S96.9Very high96.4Very high30 Ų3065.9 Ų65.921%0.2131%0.306CS..  trans-60.8127.8-179.9-1720000111.8R44 R50 N274 L276R44-S48 WeakPolarHBondContact O-CB 3.49Å; S48-R50 PolarHBondContact OG-N 3.43Å; S48-N274 WeakPolarHBondContact CB-O 3.35Å; S48-N274 PolarHBondContact OG-O 2.96Å; S48-L276 WeakPolarHBondContact CA-O 3.41Å
49K95.2Very high96.4Very high70 Ų7062.6 Ų62.630%0.30429%0.293SS..  trans-96.64.9176-57.9-60.5180-175.60112.7F47 K51 N52 I239 L276F47-K49 PolarHBondContact O-N 2.87Å; K49-K51 VanDerWaalsContact C-N 3.3Å; K49-K51 PolarHBondContact O-N 2.8Å; K49-N52 WeakPolarHBondContact O-CB 3.32Å; K49-N52 PolarHBondContact O-N 2.97Å; K49-I239 HydrophobicContact CB-CD1 3.89Å; K49-I239 HydrophobicContact CG-CD1 3.94Å; K49-L276 PolarHBondContact N-O 2.65Å
50R96.9Very high96.5Very high10 Ų1061.9 Ų61.94%0.03829%0.29CS..G310 helixtrans-48.3-50.5178.9-176.8-177.1172.5165.2-0.3112.5S48 N52 L53 E76 D80 K270 L273 N274S48-R50 PolarHBondContact OG-N 3.43Å; R50-N52 PolarHBondContact O-N 3.37Å; R50-L53 WeakPolarHBondContact O-CB 3.36Å; R50-L53 WeakPolarHBondContact O-CG 3.31Å; R50-L53 PolarHBondContact O-N 3.27Å; R50-E76 IonicContact CZ-OE2 3.67Å; R50-E76 IonicContact NH1-OE2 2.75Å; R50-E76 PolarHBondContact NH1-OE2 3.41Å; R50-E76 PolarHBondContact NH2-O 3.49Å; R50-E76 IonicContact NH2-OE2 3.94Å; R50-E76 PolarHBondContact NH2-OE2 2.61Å; R50-D80 IonicContact CZ-OD1 2.71Å; R50-D80 IonicContact CZ-OD2 3.97Å; R50-D80 VanDerWaalsContact CZ-OD2 3.27Å; R50-D80 IonicContact NE-OD1 3.51Å; R50-D80 IonicContact NE-OD2 3.65Å; R50-D80 PolarHBondContact NE-OD2 3.41Å; R50-D80 IonicContact NH2-OD1 3.37Å; R50-D80 IonicContact NH2-OD2 3.59Å; R50-D80 PolarHBondContact NH2-OD2 3.35Å; R50-K270 PolarHBondContact NH1-O 3.36Å; R50-L273 WeakPolarHBondContact CB-O 3.26Å; R50-L273 HydrophobicContact CG-CB 4.11Å; R50-N274 WeakPolarHBondContact CD-OD1 3.39Å; R50-N274 PolarHBondContact NH1-OD1 3.33Å; R50-N274 VanDerWaalsContact NH1-OD1 3.12Å
51K95Very high96.6Very high129 Ų12961 Ų6156%0.56129%0.286SS*.G310 helixtrans-70-17.9-178-65.1-59.2-175-174.90113.7K49 L53 D80K49-K51 VanDerWaalsContact C-N 3.3Å; K49-K51 PolarHBondContact O-N 2.8Å; K51-L53 VanDerWaalsContact C-N 3.32Å; K51-D80 IonicContact NZ-OD1 2.75Å; K51-D80 PolarHBondContact NZ-OD1 2.84Å
52N94.5Very high96.7Very high53 Ų5358.5 Ų58.528%0.28327%0.268SS..G310 helixtrans-77.4-20.3177.4-658.6000112.3K49 R50 K54 Y55 S56 N192K49-N52 WeakPolarHBondContact O-CB 3.32Å; K49-N52 PolarHBondContact O-N 2.97Å; R50-N52 PolarHBondContact O-N 3.37Å; N52-K54 VanDerWaalsContact C-N 3.27Å; N52-K54 PolarHBondContact O-N 2.94Å; N52-Y55 PolarHBondContact O-N 2.77Å; N52-S56 PolarHBondContact O-N 2.83Å; N52-S56 PolarHBondContact O-OG 2.89Å; N52-N192 HydrophobicContact CB-CB 4.24Å
53L96.7Very high96.8Very high2 Ų254.3 Ų54.31%0.0125%0.247CC..Hα-helixtrans-55.4-41.9179.1-71.4178.9000112.1R50 K51 Y55 S56 G57 L77 L82 A136 C137 A194 L276R50-L53 WeakPolarHBondContact O-CB 3.36Å; R50-L53 WeakPolarHBondContact O-CG 3.31Å; R50-L53 PolarHBondContact O-N 3.27Å; K51-L53 VanDerWaalsContact C-N 3.32Å; L53-Y55 PolarHBondContact O-N 2.84Å; L53-Y55 VanDerWaalsContact O-N 3.13Å; L53-S56 WeakPolarHBondContact O-CA 3.34Å; L53-S56 VanDerWaalsContact O-CB 3.3Å; L53-S56 WeakPolarHBondContact O-CB 3.36Å; L53-S56 PolarHBondContact O-N 2.8Å; L53-G57 PolarHBondContact O-N 2.78Å; L53-L77 HydrophobicContact CD1-CD2 3.88Å; L53-L82 HydrophobicContact CB-CD1 4.19Å; L53-A136 HydrophobicContact CB-CB 4.38Å; L53-A136 WeakPolarHBondContact O-CB 3.48Å; L53-C137 HydrophobicContact CD1-CB 4.33Å; L53-C137 HydrophobicContact CD2-CB 4.22Å; L53-A194 HydrophobicContact CD2-CB 3.83Å; L53-L276 HydrophobicContact CD1-CD2 3.67Å; L53-L276 HydrophobicContact CD2-CD2 3.91Å; L53-L276 HydrophobicContact CG-CD2 3.84Å
54K96Very high96.9Very high110 Ų11055 Ų5548%0.47825%0.253SS..Hα-helixtrans-56.8-30.4177.9-170.3-177-174.1172.50113.1N52 D80N52-K54 VanDerWaalsContact C-N 3.27Å; N52-K54 PolarHBondContact O-N 2.94Å; K54-D80 WeakPolarHBondContact CD-O 3.2Å
55Y96Very high97Very high166 Ų16649.8 Ų49.865%0.65123%0.234SC*.Hα-helixtrans-90.7-6.8178.3-54.3-67.3000113N52 L53 K190N52-Y55 PolarHBondContact O-N 2.77Å; L53-Y55 PolarHBondContact O-N 2.84Å; L53-Y55 VanDerWaalsContact O-N 3.13Å; Y55-K190 WeakPolarHBondContact O-CD 3.41Å
56S96Very high97Very high1 Ų144.8 Ų44.81%0.00721%0.209CC..Hα-helixtrans-89.7-27.8-177.7-50.70000112.6N52 L53 Q188 K190 N191 N192N52-S56 PolarHBondContact O-N 2.83Å; N52-S56 PolarHBondContact O-OG 2.89Å; L53-S56 WeakPolarHBondContact O-CA 3.34Å; L53-S56 VanDerWaalsContact O-CB 3.3Å; L53-S56 WeakPolarHBondContact O-CB 3.36Å; L53-S56 PolarHBondContact O-N 2.8Å; S56-Q188 PolarHBondContact O-NE2 2.87Å; S56-K190 WeakPolarHBondContact O-CB 3.44Å; S56-N191 WeakPolarHBondContact CB-O 3.27Å; S56-N191 PolarHBondContact OG-O 3.12Å; S56-N192 PolarHBondContact OG-O 2.83Å; S56-N192 VanDerWaalsContact OG-O 3.08Å
57G97.3Very high97Very high1 Ų143.3 Ų43.31%0.0120%0.202CC..  trans-177.9174.4176.800000111.9L53 L82 S134L53-G57 PolarHBondContact O-N 2.78Å; G57-L82 VanDerWaalsContact O-CD2 3.26Å; G57-L82 WeakPolarHBondContact O-CD2 3.35Å; G57-S134 WeakPolarHBondContact CA-OG 3.19Å
58E97.9Very high97.1Very high98 Ų9839 Ų3946%0.45819%0.186SC..SBendtrans-89.7-29.9-177-68.4-175.616800113.4N83 S133 S134E58-N83 PolarHBondContact O-N 3.47Å; E58-S133 WeakPolarHBondContact OE2-CB 3.49Å; E58-S133 PolarHBondContact OE2-OG 3.22Å; E58-S134 PolarHBondContact N-O 3.15Å; E58-S134 PolarHBondContact N-OG 2.83Å
59W98.8Very high97.1Very high23 Ų2338.7 Ų38.79%0.08718%0.182CC..EExtended strand (participates in β ladder)trans-112.4140.5-172.1-67.884.6000112.9N83 M85 K108 R110 L132 S134 I135 A136W59-N83 CarbonylContact C-O 3.59Å; W59-N83 VanDerWaalsContact CA-O 3.3Å; W59-N83 WeakPolarHBondContact CA-O 3.22Å; W59-N83 HydrophobicContact CD2-CB 3.5Å; W59-N83 VanDerWaalsContact CD2-CB 3.5Å; W59-N83 HydrophobicContact CE3-CB 3.46Å; W59-N83 VanDerWaalsContact CE3-CB 3.46Å; W59-N83 HydrophobicContact CG-CB 4.13Å; W59-N83 HydrophobicContact CH2-CB 3.91Å; W59-N83 HydrophobicContact CZ2-CB 3.94Å; W59-N83 HydrophobicContact CZ3-CB 3.67Å; W59-M85 HydrophobicContact CE3-CB 4.47Å; W59-K108 HydrophobicContact CH2-CB 4.08Å; W59-R110 HydrophobicContact CH2-CB 3.98Å; W59-R110 HydrophobicContact CZ3-CB 3.67Å; W59-L132 HydrophobicContact CB-CD1 3.96Å; W59-L132 HydrophobicContact CB-CD2 4.46Å; W59-L132 HydrophobicContact CD2-CD2 3.6Å; W59-L132 HydrophobicContact CE3-CD2 3.97Å; W59-L132 HydrophobicContact CG-CB 4.37Å; W59-L132 HydrophobicContact CG-CD1 4.2Å; W59-L132 HydrophobicContact CG-CD2 3.81Å; W59-L132 HydrophobicContact CG-CG 4.36Å; W59-L132 HydrophobicContact CZ2-CD2 4.37Å; W59-L132 HydrophobicContact CZ3-CD2 4.5Å; W59-S134 WeakPolarHBondContact CB-O 3.47Å; W59-S134 PolarHBondContact N-O 2.86Å; W59-I135 CarbonylContact O-C 3.51Å; W59-I135 WeakPolarHBondContact O-CA 3.45Å; W59-A136 PolarHBondContact O-N 2.98Å
60A98.9Very high97.3Very high0 Ų035.3 Ų35.30%017%0.167CC..EExtended strand (participates in β ladder)trans-107.3137.115900000110.4L77 L82 N83 I84 M85 C137A60-L77 HydrophobicContact CB-CB 4.32Å; A60-L77 HydrophobicContact CB-CD1 3.81Å; A60-L82 HydrophobicContact CB-CB 4.45Å; A60-L82 HydrophobicContact CB-CD1 4.22Å; A60-N83 PolarHBondContact N-O 3.23Å; A60-I84 HydrophobicContact CB-CD1 4.01Å; A60-I84 WeakPolarHBondContact O-CA 3.46Å; A60-M85 PolarHBondContact O-N 2.81Å; A60-C137 CarbonylContact C-O 3.58Å; A60-C137 VanDerWaalsContact CA-O 3.27Å; A60-C137 WeakPolarHBondContact CA-O 3.14Å; A60-C137 HydrophobicContact CB-CB 4.39Å
61I98.9Very high97.3Very high0 Ų037.4 Ų37.40%018%0.177CC..EExtended strand (participates in β ladder)trans-103127.5175.9-57.1164.9000107.9M85 I87 I129 L132 I135 C137 L138 V139 M177 V181I61-M85 HydrophobicContact CB-CB 4.5Å; I61-M85 HydrophobicContact CD1-SD 4.46Å; I61-M85 HydrophobicContact CG1-CB 4.13Å; I61-M85 HydrophobicContact CG1-SD 4.02Å; I61-M85 HydrophobicContact CG2-CG 4.4Å; I61-M85 HydrophobicContact CG2-SD 4.01Å; I61-I87 HydrophobicContact CG2-CD1 3.71Å; I61-I87 HydrophobicContact CG2-CG1 4.25Å; I61-I129 HydrophobicContact CD1-CD1 4.43Å; I61-I129 HydrophobicContact CD1-CG1 4.02Å; I61-I129 HydrophobicContact CD1-CG2 4.36Å; I61-L132 HydrophobicContact CD1-CD1 3.99Å; I61-L132 HydrophobicContact CG1-CD1 3.92Å; I61-I135 HydrophobicContact CD1-CD1 3.72Å; I61-I135 HydrophobicContact CD1-CG1 4.2Å; I61-I135 HydrophobicContact CD1-CG2 4.11Å; I61-I135 HydrophobicContact CG1-CG2 4.45Å; I61-C137 PolarHBondContact N-O 2.9Å; I61-L138 HydrophobicContact CB-CD1 3.95Å; I61-L138 HydrophobicContact CG2-CD1 3.83Å; I61-L138 CarbonylContact O-C 3.53Å; I61-V139 PolarHBondContact O-N 2.83Å; I61-M177 HydrophobicContact CG2-CE 4.13Å; I61-V181 HydrophobicContact CD1-CG2 3.76Å
62V98.9Very high97.5Very high0 Ų031.4 Ų31.40%015%0.151CC..EExtended strand (participates in β ladder)trans-127.5121.7180-173.90000110.1A65 G70 A74 L77 I84 M85 I87 V139V62-A65 HydrophobicContact CB-CB 3.99Å; V62-A65 HydrophobicContact CG1-CB 3.86Å; V62-A65 WeakPolarHBondContact O-CB 3.4Å; V62-G70 WeakPolarHBondContact CG1-O 3.32Å; V62-A74 HydrophobicContact CB-CB 4.5Å; V62-A74 HydrophobicContact CG2-CB 4.22Å; V62-L77 HydrophobicContact CG2-CD1 4.33Å; V62-I84 HydrophobicContact CG2-CG2 4.28Å; V62-M85 PolarHBondContact N-O 3.33Å; V62-I87 PolarHBondContact O-N 2.97Å; V62-V139 HydrophobicContact CB-CB 4.47Å; V62-V139 HydrophobicContact CG1-CB 4.21Å; V62-V139 HydrophobicContact CG1-CG1 4.44Å; V62-V139 HydrophobicContact CG2-CB 4.16Å; V62-V139 HydrophobicContact CG2-CG2 4.21Å
63T98.8Very high97.7Very high0 Ų028.9 Ų28.90%014%0.138CC..EExtended strand (participates in β ladder)trans-92.2140.917568.60000111.3I87 F116 V139 N141 V142 M177T63-I87 CarbonylContact C-O 3.59Å; T63-I87 HydrophobicContact CG2-CB 4.48Å; T63-I87 HydrophobicContact CG2-CD1 4.42Å; T63-F116 HydrophobicContact CG2-CE1 4.5Å; T63-F116 HydrophobicContact CG2-CE2 4.2Å; T63-F116 HydrophobicContact CG2-CZ 3.68Å; T63-V139 PolarHBondContact N-O 2.64Å; T63-V139 PolarHBondContact OG1-O 3.29Å; T63-N141 VanDerWaalsContact O-CB 3.26Å; T63-N141 WeakPolarHBondContact O-CB 3.23Å; T63-N141 PolarHBondContact O-ND2 2.93Å; T63-N141 PolarHBondContact OG1-N 3.25Å; T63-V142 PolarHBondContact O-N 3.4Å; T63-V142 WeakPolarHBondContact OG1-CG1 3.44Å; T63-V142 PolarHBondContact OG1-N 3.5Å; T63-M177 HydrophobicContact CG2-CE 4.05Å; T63-M177 HydrophobicContact CG2-CG 4.19Å
64G98.2Very high97.8Very high13 Ų1328.8 Ų28.813%0.13414%0.137CC..THydrogen-bonded Turntrans66.538.6-172.800000112.3T66 I87 N141G64-T66 VanDerWaalsContact C-N 3.29Å; G64-T66 PolarHBondContact O-N 2.83Å; G64-I87 PolarHBondContact N-O 3.06Å; G64-N141 PolarHBondContact O-ND2 3.28Å
65A98Very high97.9Very high0 Ų025.4 Ų25.40%012%0.123CC..THydrogen-bonded Turntrans-80.42.1-167.100000115.7V62 K71 L86 I87V62-A65 HydrophobicContact CB-CB 3.99Å; V62-A65 HydrophobicContact CG1-CB 3.86Å; V62-A65 WeakPolarHBondContact O-CB 3.4Å; A65-K71 VanDerWaalsContact O-CA 3.3Å; A65-K71 WeakPolarHBondContact O-CA 3.26Å; A65-K71 WeakPolarHBondContact O-CB 3.41Å; A65-L86 HydrophobicContact CB-CB 4.14Å; A65-L86 HydrophobicContact CB-CD2 3.52Å; A65-L86 HydrophobicContact CB-CG 4.46Å; A65-I87 PolarHBondContact N-O 3.02Å
66T97.3Very high98.1Very high25 Ų2517.9 Ų17.915%0.1539%0.094CC..THydrogen-bonded Turntrans-92.7-12.3-172.348.10000114.9G64 S88 K93 L94G64-T66 VanDerWaalsContact C-N 3.29Å; G64-T66 PolarHBondContact O-N 2.83Å; T66-S88 VanDerWaalsContact CG2-CB 3.48Å; T66-S88 PolarHBondContact OG1-OG 2.82Å; T66-K93 HydrophobicContact CG2-CB 3.78Å; T66-L94 HydrophobicContact CG2-CB 4.34Å; T66-L94 HydrophobicContact CG2-CD2 3.7Å; T66-L94 HydrophobicContact CG2-CG 3.61Å
67D95.7Very high98.2Very high78 Ų7817.9 Ų17.942%0.4179%0.094SC..SBendtrans-153.7167.2-177.9-151.8-22.9000111.3K71D67-K71 PolarHBondContact O-N 2.86Å
68G96.5Very high98.3Very high11 Ų1117.9 Ų17.911%0.1139%0.094CC..Hα-helixtrans53.6-136170.400000114.9A72 P265G68-A72 PolarHBondContact O-N 3.26Å; G68-A72 VanDerWaalsContact O-N 3.15Å; G68-P265 WeakPolarHBondContact O-CB 3.37Å
69I97.8Very high98.3Very high22 Ų2217.4 Ų17.411%0.1139%0.094CC..Hα-helixtrans-63.3-44.4-175.3-63.7172.5000110.9K71 A72 Y73 P245 V248 T250 Y268I69-K71 PolarHBondContact O-N 3.47Å; I69-A72 PolarHBondContact O-N 3.15Å; I69-A72 VanDerWaalsContact O-N 3.14Å; I69-Y73 HydrophobicContact CG2-CD2 3.59Å; I69-Y73 HydrophobicContact CG2-CE2 3.64Å; I69-Y73 WeakPolarHBondContact O-CD2 3.16Å; I69-Y73 PolarHBondContact O-N 3.24Å; I69-P245 HydrophobicContact CD1-CB 4.24Å; I69-P245 HydrophobicContact CD1-CG 3.86Å; I69-V248 HydrophobicContact CD1-CB 4.17Å; I69-V248 HydrophobicContact CD1-CG1 4.45Å; I69-V248 HydrophobicContact CD1-CG2 3.91Å; I69-V248 HydrophobicContact CG1-CB 4.35Å; I69-V248 HydrophobicContact CG1-CG1 4.12Å; I69-V248 HydrophobicContact CG1-CG2 4.43Å; I69-T250 HydrophobicContact CG1-CG2 4.4Å; I69-Y268 HydrophobicContact CD1-CD1 4.06Å; I69-Y268 HydrophobicContact CD1-CE1 4.01Å; I69-Y268 HydrophobicContact CG1-CD1 4.12Å; I69-Y268 HydrophobicContact CG2-CD1 4.27Å; I69-Y268 HydrophobicContact CG2-CE1 4.41Å
70G98.4Very high98.2Very high0 Ų017 Ų170%09%0.094CC..Hα-helixtrans-58.6-47.6179.800000112.8V62 A72 Y73 A74 N141V62-G70 WeakPolarHBondContact CG1-O 3.32Å; G70-A72 VanDerWaalsContact C-N 3.32Å; G70-A72 PolarHBondContact O-N 3.24Å; G70-Y73 PolarHBondContact O-N 3.33Å; G70-A74 PolarHBondContact O-N 2.87Å; G70-N141 WeakPolarHBondContact CA-ND2 3.47Å; G70-N141 PolarHBondContact N-ND2 2.94Å; G70-N141 PolarHBondContact N-OD1 3.43Å; G70-N141 VanDerWaalsContact N-OD1 3.17Å
71K98.5Very high98.2Very high53 Ų5318.6 Ų18.623%0.2311%0.11CC..Hα-helixtrans-58.8-44.5174.4-179.7-179.6166.8-174.90111.9A65 D67 I69 Y73 A74 E75 V97A65-K71 VanDerWaalsContact O-CA 3.3Å; A65-K71 WeakPolarHBondContact O-CA 3.26Å; A65-K71 WeakPolarHBondContact O-CB 3.41Å; D67-K71 PolarHBondContact O-N 2.86Å; I69-K71 PolarHBondContact O-N 3.47Å; K71-Y73 VanDerWaalsContact C-N 3.34Å; K71-Y73 PolarHBondContact O-N 3.28Å; K71-A74 WeakPolarHBondContact O-CB 3.21Å; K71-A74 PolarHBondContact O-N 2.95Å; K71-E75 WeakPolarHBondContact CE-OE1 3.42Å; K71-E75 IonicContact NZ-OE1 2.73Å; K71-E75 WeakPolarHBondContact O-CG 3.31Å; K71-E75 PolarHBondContact O-N 3.29Å; K71-V97 HydrophobicContact CD-CG2 4.01Å; K71-V97 HydrophobicContact CG-CG1 4.34Å; K71-V97 HydrophobicContact CG-CG2 4.38Å
72A98.5Very high98.2Very high3 Ų318.7 Ų18.73%0.02511%0.111CC..Hα-helixtrans-65-36178.900000112.9G68 I69 G70 E76 P265 A269G68-A72 PolarHBondContact O-N 3.26Å; G68-A72 VanDerWaalsContact O-N 3.15Å; I69-A72 PolarHBondContact O-N 3.15Å; I69-A72 VanDerWaalsContact O-N 3.14Å; G70-A72 VanDerWaalsContact C-N 3.32Å; G70-A72 PolarHBondContact O-N 3.24Å; A72-E76 WeakPolarHBondContact O-CB 3.25Å; A72-E76 VanDerWaalsContact O-CG 3.29Å; A72-E76 WeakPolarHBondContact O-CG 3.44Å; A72-E76 PolarHBondContact O-N 2.67Å; A72-P265 VanDerWaalsContact CB-C 3.41Å; A72-P265 HydrophobicContact CB-CB 3.9Å; A72-P265 WeakPolarHBondContact CB-O 3.36Å; A72-A269 HydrophobicContact CB-CB 3.63Å
73Y98.8Very high98.2Very high0 Ų020 Ų200%012%0.118CC..Hα-helixtrans-63.8-44171-96.1-95.5000111.7I69 G70 K71 E75 E76 L77 V139 I196 I198 A269 A272 L273I69-Y73 HydrophobicContact CG2-CD2 3.59Å; I69-Y73 HydrophobicContact CG2-CE2 3.64Å; I69-Y73 WeakPolarHBondContact O-CD2 3.16Å; I69-Y73 PolarHBondContact O-N 3.24Å; G70-Y73 PolarHBondContact O-N 3.33Å; K71-Y73 VanDerWaalsContact C-N 3.34Å; K71-Y73 PolarHBondContact O-N 3.28Å; Y73-E75 PolarHBondContact O-N 3.37Å; Y73-E76 PolarHBondContact O-N 2.96Å; Y73-L77 VanDerWaalsContact O-CB 3.31Å; Y73-L77 WeakPolarHBondContact O-CB 3.47Å; Y73-L77 WeakPolarHBondContact O-CD1 3.43Å; Y73-L77 VanDerWaalsContact O-CG 3.22Å; Y73-L77 WeakPolarHBondContact O-CG 3.34Å; Y73-L77 PolarHBondContact O-N 2.86Å; Y73-V139 HydrophobicContact CD1-CG1 3.92Å; Y73-V139 HydrophobicContact CD1-CG2 3.91Å; Y73-V139 HydrophobicContact CE1-CG1 4.39Å; Y73-V139 HydrophobicContact CG-CG1 4.01Å; Y73-I196 HydrophobicContact CE1-CD1 4.04Å; Y73-I196 HydrophobicContact CE1-CG2 4.15Å; Y73-I198 HydrophobicContact CE2-CD1 4.03Å; Y73-A269 HydrophobicContact CD2-CB 3.61Å; Y73-A269 HydrophobicContact CE2-CB 3.93Å; Y73-A269 HydrophobicContact CG-CB 4.19Å; Y73-A272 WeakPolarHBondContact OH-CB 3.24Å; Y73-L273 HydrophobicContact CD1-CD1 4.1Å; Y73-L273 HydrophobicContact CD1-CD2 3.84Å; Y73-L273 HydrophobicContact CD1-CG 3.88Å; Y73-L273 HydrophobicContact CE1-CD1 4.29Å; Y73-L273 HydrophobicContact CE1-CD2 3.54Å; Y73-L273 HydrophobicContact CE1-CG 3.57Å
74A98.8Very high98.2Very high0 Ų020 Ų200%012%0.118CC..Hα-helixtrans-59-46.7176.300000111.8V62 G70 K71 A78 I84 L86 I101V62-A74 HydrophobicContact CB-CB 4.5Å; V62-A74 HydrophobicContact CG2-CB 4.22Å; G70-A74 PolarHBondContact O-N 2.87Å; K71-A74 WeakPolarHBondContact O-CB 3.21Å; K71-A74 PolarHBondContact O-N 2.95Å; A74-A78 VanDerWaalsContact O-CB 3.28Å; A74-A78 WeakPolarHBondContact O-CB 3.27Å; A74-A78 PolarHBondContact O-N 3.13Å; A74-I84 HydrophobicContact CB-CG2 3.98Å; A74-L86 HydrophobicContact CB-CD2 3.77Å; A74-I101 HydrophobicContact CB-CD1 3.89Å
75E98.7Very high98.2Very high40 Ų4019.4 Ų19.419%0.18711%0.112CC..Hα-helixtrans-63.6-44176.8-71.7175.2165.200112.3K71 Y73 A78 N79 I101 Y105K71-E75 WeakPolarHBondContact CE-OE1 3.42Å; K71-E75 IonicContact NZ-OE1 2.73Å; K71-E75 WeakPolarHBondContact O-CG 3.31Å; K71-E75 PolarHBondContact O-N 3.29Å; Y73-E75 PolarHBondContact O-N 3.37Å; E75-A78 PolarHBondContact O-N 3.22Å; E75-N79 VanDerWaalsContact O-CB 3.32Å; E75-N79 WeakPolarHBondContact O-CB 3.2Å; E75-N79 PolarHBondContact O-N 3.48Å; E75-I101 HydrophobicContact CG-CG1 4.32Å; E75-Y105 HydrophobicContact CB-CE2 4.06Å; E75-Y105 HydrophobicContact CG-CE2 4.23Å
76E98.6Very high98.3Very high8 Ų819.4 Ų19.44%0.03711%0.112CC..Hα-helixtrans-70-34.5179.9-74.5-71.714000113.1R50 A72 Y73 D80 R266 A269 K270 L273R50-E76 IonicContact CZ-OE2 3.67Å; R50-E76 IonicContact NH1-OE2 2.75Å; R50-E76 PolarHBondContact NH1-OE2 3.41Å; R50-E76 PolarHBondContact NH2-O 3.49Å; R50-E76 IonicContact NH2-OE2 3.94Å; R50-E76 PolarHBondContact NH2-OE2 2.61Å; A72-E76 WeakPolarHBondContact O-CB 3.25Å; A72-E76 VanDerWaalsContact O-CG 3.29Å; A72-E76 WeakPolarHBondContact O-CG 3.44Å; A72-E76 PolarHBondContact O-N 2.67Å; Y73-E76 PolarHBondContact O-N 2.96Å; E76-D80 PolarHBondContact O-N 2.94Å; E76-D80 VanDerWaalsContact O-N 3.14Å; E76-R266 IonicContact OE1-NE 3.51Å; E76-A269 HydrophobicContact CG-CB 4.33Å; E76-K270 HydrophobicContact CG-CB 4.27Å; E76-K270 WeakPolarHBondContact OE2-CB 3.3Å; E76-K270 WeakPolarHBondContact OE2-CG 3.49Å; E76-L273 HydrophobicContact CB-CD1 3.59Å
77L98.7Very high98.3Very high0 Ų018.2 Ų18.20%010%0.104CC..Hα-helixtrans-73.4-36.7174.9-70.3167.1000111.6L53 A60 V62 Y73 N79 D80 G81 L82 I84 V139 L273L53-L77 HydrophobicContact CD1-CD2 3.88Å; A60-L77 HydrophobicContact CB-CB 4.32Å; A60-L77 HydrophobicContact CB-CD1 3.81Å; V62-L77 HydrophobicContact CG2-CD1 4.33Å; Y73-L77 VanDerWaalsContact O-CB 3.31Å; Y73-L77 WeakPolarHBondContact O-CB 3.47Å; Y73-L77 WeakPolarHBondContact O-CD1 3.43Å; Y73-L77 VanDerWaalsContact O-CG 3.22Å; Y73-L77 WeakPolarHBondContact O-CG 3.34Å; Y73-L77 PolarHBondContact O-N 2.86Å; L77-N79 VanDerWaalsContact C-N 3.33Å; L77-D80 WeakPolarHBondContact O-CB 3.5Å; L77-D80 PolarHBondContact O-N 3.49Å; L77-D80 VanDerWaalsContact O-N 3.12Å; L77-G81 PolarHBondContact O-N 2.96Å; L77-L82 HydrophobicContact CB-CD1 4.29Å; L77-L82 HydrophobicContact CD2-CD1 3.9Å; L77-L82 PolarHBondContact O-N 2.85Å; L77-I84 HydrophobicContact CB-CD1 3.83Å; L77-V139 HydrophobicContact CD1-CG2 3.79Å; L77-L273 HydrophobicContact CD2-CD1 4.27Å; L77-L273 HydrophobicContact CD2-CD2 3.95Å; L77-L273 HydrophobicContact CG-CD1 4.23Å; L77-L273 HydrophobicContact CG-CD2 4.47Å
78A98.7Very high98.4Very high2 Ų215.1 Ų15.12%0.0179%0.088CC..Hα-helixtrans-62.8-42.417100000111.2A74 E75 D80 G81 I84 I101 Y105 V107A74-A78 VanDerWaalsContact O-CB 3.28Å; A74-A78 WeakPolarHBondContact O-CB 3.27Å; A74-A78 PolarHBondContact O-N 3.13Å; E75-A78 PolarHBondContact O-N 3.22Å; A78-D80 PolarHBondContact O-N 2.81Å; A78-G81 WeakPolarHBondContact O-CA 3.18Å; A78-G81 PolarHBondContact O-N 3.32Å; A78-I84 HydrophobicContact CB-CD1 4.23Å; A78-I84 HydrophobicContact CB-CG1 3.9Å; A78-I101 HydrophobicContact CB-CG2 3.63Å; A78-Y105 HydrophobicContact CB-CD2 3.53Å; A78-Y105 HydrophobicContact CB-CE2 4.23Å; A78-Y105 HydrophobicContact CB-CG 3.84Å; A78-V107 HydrophobicContact CB-CG2 3.8Å
79N98.2Very high98.5Very high87 Ų8721.7 Ų21.747%0.46511%0.11SC..Hα-helixtrans-62.2-24.6173.3-173.478.1000113.2E75 L77 G81 Y105E75-N79 VanDerWaalsContact O-CB 3.32Å; E75-N79 WeakPolarHBondContact O-CB 3.2Å; E75-N79 PolarHBondContact O-N 3.48Å; L77-N79 VanDerWaalsContact C-N 3.33Å; N79-G81 VanDerWaalsContact C-N 3.25Å; N79-Y105 HydrophobicContact CB-CD1 3.73Å; N79-Y105 HydrophobicContact CB-CE1 3.54Å
80D97.8Very high98.4Very high16 Ų1624 Ų249%0.08612%0.122CC..THydrogen-bonded Turntrans-82.6-0.9171-70.2-38.6000113.1R50 K51 K54 E76 L77 A78R50-D80 IonicContact CZ-OD1 2.71Å; R50-D80 IonicContact CZ-OD2 3.97Å; R50-D80 VanDerWaalsContact CZ-OD2 3.27Å; R50-D80 IonicContact NE-OD1 3.51Å; R50-D80 IonicContact NE-OD2 3.65Å; R50-D80 PolarHBondContact NE-OD2 3.41Å; R50-D80 IonicContact NH2-OD1 3.37Å; R50-D80 IonicContact NH2-OD2 3.59Å; R50-D80 PolarHBondContact NH2-OD2 3.35Å; K51-D80 IonicContact NZ-OD1 2.75Å; K51-D80 PolarHBondContact NZ-OD1 2.84Å; K54-D80 WeakPolarHBondContact CD-O 3.2Å; E76-D80 PolarHBondContact O-N 2.94Å; E76-D80 VanDerWaalsContact O-N 3.14Å; L77-D80 WeakPolarHBondContact O-CB 3.5Å; L77-D80 PolarHBondContact O-N 3.49Å; L77-D80 VanDerWaalsContact O-N 3.12Å; A78-D80 PolarHBondContact O-N 2.81Å
81G97.9Very high98.4Very high33 Ų3327.8 Ų27.834%0.3414%0.142SC..THydrogen-bonded Turntrans89.422.1174.500000114.9L77 A78 N79L77-G81 PolarHBondContact O-N 2.96Å; A78-G81 WeakPolarHBondContact O-CA 3.18Å; A78-G81 PolarHBondContact O-N 3.32Å; N79-G81 VanDerWaalsContact C-N 3.25Å
82L98.7Very high98.4Very high2 Ų231.9 Ų31.91%0.0116%0.162CC..  trans-92.8142.4174.1-67.2166.2000110.9L53 G57 A60 L77 I84 A136L53-L82 HydrophobicContact CB-CD1 4.19Å; G57-L82 VanDerWaalsContact O-CD2 3.26Å; G57-L82 WeakPolarHBondContact O-CD2 3.35Å; A60-L82 HydrophobicContact CB-CB 4.45Å; A60-L82 HydrophobicContact CB-CD1 4.22Å; L77-L82 HydrophobicContact CB-CD1 4.29Å; L77-L82 HydrophobicContact CD2-CD1 3.9Å; L77-L82 PolarHBondContact O-N 2.85Å; L82-I84 HydrophobicContact CB-CD1 4.35Å; L82-A136 HydrophobicContact CD1-CB 4.05Å; L82-A136 HydrophobicContact CD2-CB 3.54Å; L82-A136 HydrophobicContact CG-CB 4.47Å
83N98.8Very high98.4Very high28 Ų2836.8 Ų36.815%0.1518%0.183CC..EExtended strand (participates in β ladder)trans-70.3148.4165.8-60.1-44.6000109.5E58 W59 A60 K108E58-N83 PolarHBondContact O-N 3.47Å; W59-N83 CarbonylContact C-O 3.59Å; W59-N83 VanDerWaalsContact CA-O 3.3Å; W59-N83 WeakPolarHBondContact CA-O 3.22Å; W59-N83 HydrophobicContact CD2-CB 3.5Å; W59-N83 VanDerWaalsContact CD2-CB 3.5Å; W59-N83 HydrophobicContact CE3-CB 3.46Å; W59-N83 VanDerWaalsContact CE3-CB 3.46Å; W59-N83 HydrophobicContact CG-CB 4.13Å; W59-N83 HydrophobicContact CH2-CB 3.91Å; W59-N83 HydrophobicContact CZ2-CB 3.94Å; W59-N83 HydrophobicContact CZ3-CB 3.67Å; A60-N83 PolarHBondContact N-O 3.23Å; N83-K108 CarbonylContact C-O 3.51Å; N83-K108 VanDerWaalsContact CA-O 3.26Å; N83-K108 WeakPolarHBondContact CA-O 3.4Å; N83-K108 HydrophobicContact CB-CB 4.26Å; N83-K108 WeakPolarHBondContact CB-O 3.42Å; N83-K108 WeakPolarHBondContact OD1-CB 3.5Å; N83-K108 PolarHBondContact OD1-N 3.48Å
84I98.9Very high98.4Very high0 Ų036.8 Ų36.80%018%0.183CC..EExtended strand (participates in β ladder)trans-120120.1-172.3-48.2-61.6000111.9A60 V62 A74 L77 A78 L82 L86 I101 K108 T109 R110A60-I84 HydrophobicContact CB-CD1 4.01Å; A60-I84 WeakPolarHBondContact O-CA 3.46Å; V62-I84 HydrophobicContact CG2-CG2 4.28Å; A74-I84 HydrophobicContact CB-CG2 3.98Å; L77-I84 HydrophobicContact CB-CD1 3.83Å; A78-I84 HydrophobicContact CB-CD1 4.23Å; A78-I84 HydrophobicContact CB-CG1 3.9Å; L82-I84 HydrophobicContact CB-CD1 4.35Å; I84-L86 HydrophobicContact CB-CD2 4.44Å; I84-L86 HydrophobicContact CG2-CD2 3.49Å; I84-L86 VanDerWaalsContact CG2-CD2 3.49Å; I84-L86 HydrophobicContact CG2-CG 3.9Å; I84-I101 HydrophobicContact CG1-CG2 4.24Å; I84-K108 PolarHBondContact N-O 3.23Å; I84-T109 CarbonylContact O-C 3.53Å; I84-T109 VanDerWaalsContact O-CA 3.23Å; I84-T109 WeakPolarHBondContact O-CA 3.46Å; I84-R110 PolarHBondContact O-N 3.03Å
85M98.9Very high98.4Very high0 Ų042 Ų420%021%0.205CC..EExtended strand (participates in β ladder)trans-86112.3161.8177.8-175.4-8400108.9W59 A60 I61 V62 I87 R110 V112 E128 I129 L132W59-M85 HydrophobicContact CE3-CB 4.47Å; A60-M85 PolarHBondContact O-N 2.81Å; I61-M85 HydrophobicContact CB-CB 4.5Å; I61-M85 HydrophobicContact CD1-SD 4.46Å; I61-M85 HydrophobicContact CG1-CB 4.13Å; I61-M85 HydrophobicContact CG1-SD 4.02Å; I61-M85 HydrophobicContact CG2-CG 4.4Å; I61-M85 HydrophobicContact CG2-SD 4.01Å; V62-M85 PolarHBondContact N-O 3.33Å; M85-I87 HydrophobicContact CG-CD1 4.41Å; M85-I87 HydrophobicContact CG-CG1 4.08Å; M85-I87 HydrophobicContact SD-CD1 4.04Å; M85-I87 HydrophobicContact SD-CG1 4.35Å; M85-R110 CarbonylContact C-O 3.56Å; M85-R110 WeakPolarHBondContact CA-O 3.28Å; M85-R110 HydrophobicContact CB-CB 4.48Å; M85-R110 VanDerWaalsContact CE-CD 3.44Å; M85-R110 HydrophobicContact CE-CG 4.29Å; M85-V112 HydrophobicContact CE-CG2 4.17Å; M85-V112 HydrophobicContact CG-CG2 3.98Å; M85-V112 HydrophobicContact SD-CG2 4.06Å; M85-E128 HydrophobicContact CE-CB 3.84Å; M85-E128 WeakPolarHBondContact CE-O 3.49Å; M85-I129 HydrophobicContact SD-CG1 4.18Å; M85-L132 HydrophobicContact CE-CD1 3.66Å; M85-L132 HydrophobicContact CE-CD2 3.83Å; M85-L132 HydrophobicContact CE-CG 3.79Å; M85-L132 HydrophobicContact SD-CD1 4.21Å
86L98.9Very high98.3Very high0 Ų043.9 Ų43.90%022%0.217CC..EExtended strand (participates in β ladder)trans-96.9115.9-178.5-60.4166.4000109.2A65 A74 I84 L94 V97 A98 I101 T109 R110 V112A65-L86 HydrophobicContact CB-CB 4.14Å; A65-L86 HydrophobicContact CB-CD2 3.52Å; A65-L86 HydrophobicContact CB-CG 4.46Å; A74-L86 HydrophobicContact CB-CD2 3.77Å; I84-L86 HydrophobicContact CB-CD2 4.44Å; I84-L86 HydrophobicContact CG2-CD2 3.49Å; I84-L86 VanDerWaalsContact CG2-CD2 3.49Å; I84-L86 HydrophobicContact CG2-CG 3.9Å; L86-L94 HydrophobicContact CB-CD2 3.57Å; L86-L94 WeakPolarHBondContact O-CD2 3.36Å; L86-V97 HydrophobicContact CD1-CG1 4.13Å; L86-V97 HydrophobicContact CD2-CG1 4.2Å; L86-A98 HydrophobicContact CD1-CB 3.83Å; L86-I101 HydrophobicContact CD1-CD1 4.4Å; L86-I101 HydrophobicContact CD2-CD1 4.01Å; L86-T109 HydrophobicContact CD1-CG2 4.38Å; L86-R110 PolarHBondContact N-O 2.85Å; L86-V112 PolarHBondContact O-N 2.93Å
87I98.8Very high98.3Very high0 Ų043.9 Ų43.90%022%0.217CC..EExtended strand (participates in β ladder)trans-113.2121.3178.1-42.4-170.5000110.1I61 V62 T63 G64 A65 M85 V112 A114 F116 I125 M177I61-I87 HydrophobicContact CG2-CD1 3.71Å; I61-I87 HydrophobicContact CG2-CG1 4.25Å; V62-I87 PolarHBondContact O-N 2.97Å; T63-I87 CarbonylContact C-O 3.59Å; T63-I87 HydrophobicContact CG2-CB 4.48Å; T63-I87 HydrophobicContact CG2-CD1 4.42Å; G64-I87 PolarHBondContact N-O 3.06Å; A65-I87 PolarHBondContact N-O 3.02Å; M85-I87 HydrophobicContact CG-CD1 4.41Å; M85-I87 HydrophobicContact CG-CG1 4.08Å; M85-I87 HydrophobicContact SD-CD1 4.04Å; M85-I87 HydrophobicContact SD-CG1 4.35Å; I87-V112 WeakPolarHBondContact CA-O 3.47Å; I87-V112 HydrophobicContact CG1-CB 4.08Å; I87-V112 HydrophobicContact CG2-CB 4.24Å; I87-V112 HydrophobicContact CG2-CG1 4.3Å; I87-A114 HydrophobicContact CG2-CB 3.85Å; I87-F116 HydrophobicContact CB-CE2 4.46Å; I87-F116 HydrophobicContact CG2-CE2 3.7Å; I87-F116 HydrophobicContact CG2-CZ 3.86Å; I87-I125 HydrophobicContact CD1-CG2 4.16Å; I87-M177 HydrophobicContact CD1-CE 3.84Å
88S98.3Very high98.3Very high12 Ų1244 Ų448%0.08422%0.218CC..EExtended strand (participates in β ladder)trans-164.7177.8178.1-140.70000111.4T66 L94 V112 V113 A114T66-S88 VanDerWaalsContact CG2-CB 3.48Å; T66-S88 PolarHBondContact OG1-OG 2.82Å; S88-L94 WeakPolarHBondContact O-CD1 3.19Å; S88-V112 PolarHBondContact N-O 2.79Å; S88-V113 CarbonylContact O-C 3.58Å; S88-V113 WeakPolarHBondContact O-CA 3.21Å; S88-A114 CarbonylContact C-O 3.52Å; S88-A114 VanDerWaalsContact C-O 3.32Å; S88-A114 PolarHBondContact O-N 3.2Å
89R96.8Very high98.3Very high150 Ų15048.1 Ų48.157%0.56624%0.24SC*.SBendtrans-84.8-31.2-173.1-66.5179.6-60.4171.91.7115.4A114 D115R89-A114 VanDerWaalsContact CG-O 3.25Å; R89-A114 WeakPolarHBondContact CG-O 3.49Å; R89-A114 PolarHBondContact N-O 2.98Å; R89-D115 VanDerWaalsContact CD-OD1 3.29Å; R89-D115 WeakPolarHBondContact CD-OD1 3.48Å; R89-D115 VanDerWaalsContact CD-OD2 3.29Å; R89-D115 WeakPolarHBondContact CD-OD2 3.4Å; R89-D115 HydrophobicContact CG-CB 3.83Å
90N96.9Very high98.3Very high69 Ų6949.1 Ų49.137%0.36924%0.24SC..  trans-106.8111.5-169.9-178.9-61.5000109.9E92 K93 L94N90-E92 VanDerWaalsContact C-N 3.35Å; N90-E92 PolarHBondContact O-N 3.04Å; N90-E92 WeakPolarHBondContact OD1-CB 3.4Å; N90-E92 PolarHBondContact OD1-N 3.2Å; N90-E92 VanDerWaalsContact OD1-N 3.09Å; N90-K93 HydrophobicContact CB-CB 4.23Å; N90-K93 HydrophobicContact CB-CD 4.38Å; N90-K93 HydrophobicContact CB-CG 4.31Å; N90-K93 PolarHBondContact O-N 3.33Å; N90-K93 PolarHBondContact OD1-N 3.36Å; N90-L94 WeakPolarHBondContact O-CG 3.36Å; N90-L94 PolarHBondContact O-N 2.86Å
91L98.2Very high98.4Very high81 Ų8148.3 Ų48.342%0.42424%0.236SC..Hα-helixtrans-59.8-41.3-177.6177.958.8000112.8L94 K95 I111 V113L91-L94 WeakPolarHBondContact O-CB 3.38Å; L91-L94 PolarHBondContact O-N 2.57Å; L91-K95 HydrophobicContact CD1-CD 4.49Å; L91-K95 HydrophobicContact CD1-CG 4.26Å; L91-K95 HydrophobicContact CG-CD 4.43Å; L91-K95 WeakPolarHBondContact O-CG 3.4Å; L91-K95 PolarHBondContact O-N 3.37Å; L91-I111 HydrophobicContact CD1-CG2 4Å; L91-V113 HydrophobicContact CB-CG2 3.98Å; L91-V113 HydrophobicContact CD1-CG2 3.77Å; L91-V113 HydrophobicContact CG-CG2 4.39Å
92E98.3Very high98.4Very high139 Ų13950.4 Ų50.465%0.6524%0.237SC*.Hα-helixtrans-64.4-45.6-179.1-171.3-171.6168.300111.4N90 L94 K95 N96N90-E92 VanDerWaalsContact C-N 3.35Å; N90-E92 PolarHBondContact O-N 3.04Å; N90-E92 WeakPolarHBondContact OD1-CB 3.4Å; N90-E92 PolarHBondContact OD1-N 3.2Å; N90-E92 VanDerWaalsContact OD1-N 3.09Å; E92-L94 VanDerWaalsContact C-N 3.3Å; E92-L94 PolarHBondContact O-N 2.99Å; E92-K95 PolarHBondContact O-N 3.44Å; E92-N96 WeakPolarHBondContact O-CB 3.04Å; E92-N96 VanDerWaalsContact O-CG 3.29Å; E92-N96 PolarHBondContact O-N 2.92Å; E92-N96 PolarHBondContact O-ND2 3.04Å
93K98.1Very high98.4Very high106 Ų10654.2 Ų54.246%0.46126%0.264SS..Hα-helixtrans-63.1-37.2173.8-70.2-171.3176.7-172.20112T66 N90 V97T66-K93 HydrophobicContact CG2-CB 3.78Å; N90-K93 HydrophobicContact CB-CB 4.23Å; N90-K93 HydrophobicContact CB-CD 4.38Å; N90-K93 HydrophobicContact CB-CG 4.31Å; N90-K93 PolarHBondContact O-N 3.33Å; N90-K93 PolarHBondContact OD1-N 3.36Å; K93-V97 WeakPolarHBondContact O-CG2 3.37Å; K93-V97 PolarHBondContact O-N 3.17Å
94L98.7Very high98.4Very high0 Ų060.2 Ų60.20%029%0.289CS..Hα-helixtrans-62.5-49.2175.8-80.5161000111.2T66 L86 S88 N90 L91 E92 N96 V97 A98 I111 V113T66-L94 HydrophobicContact CG2-CB 4.34Å; T66-L94 HydrophobicContact CG2-CD2 3.7Å; T66-L94 HydrophobicContact CG2-CG 3.61Å; L86-L94 HydrophobicContact CB-CD2 3.57Å; L86-L94 WeakPolarHBondContact O-CD2 3.36Å; S88-L94 WeakPolarHBondContact O-CD1 3.19Å; N90-L94 WeakPolarHBondContact O-CG 3.36Å; N90-L94 PolarHBondContact O-N 2.86Å; L91-L94 WeakPolarHBondContact O-CB 3.38Å; L91-L94 PolarHBondContact O-N 2.57Å; E92-L94 VanDerWaalsContact C-N 3.3Å; E92-L94 PolarHBondContact O-N 2.99Å; L94-N96 PolarHBondContact O-N 3.38Å; L94-V97 PolarHBondContact O-N 3.38Å; L94-A98 VanDerWaalsContact O-CB 3.29Å; L94-A98 WeakPolarHBondContact O-CB 3.25Å; L94-A98 PolarHBondContact O-N 3.5Å; L94-I111 HydrophobicContact CB-CD1 4.26Å; L94-I111 HydrophobicContact CB-CG1 4.34Å; L94-I111 HydrophobicContact CB-CG2 3.74Å; L94-I111 HydrophobicContact CD1-CG2 3.84Å; L94-I111 HydrophobicContact CD2-CG2 4.48Å; L94-I111 HydrophobicContact CG-CG2 4.21Å; L94-V113 HydrophobicContact CD1-CG2 4.03Å
95K98.7Very high98.3Very high108 Ų10862.8 Ų62.847%0.4730%0.299SS..Hα-helixtrans-56.8-49.1175.1-72.1-179.6175.7-173.40111.5L91 E92 V97 A98 D99 I111L91-K95 HydrophobicContact CD1-CD 4.49Å; L91-K95 HydrophobicContact CD1-CG 4.26Å; L91-K95 HydrophobicContact CG-CD 4.43Å; L91-K95 WeakPolarHBondContact O-CG 3.4Å; L91-K95 PolarHBondContact O-N 3.37Å; E92-K95 PolarHBondContact O-N 3.44Å; K95-V97 VanDerWaalsContact C-N 3.28Å; K95-V97 PolarHBondContact O-N 3.48Å; K95-A98 WeakPolarHBondContact O-CB 3.41Å; K95-A98 PolarHBondContact O-N 3.07Å; K95-A98 VanDerWaalsContact O-N 3.15Å; K95-D99 WeakPolarHBondContact O-CB 3.43Å; K95-D99 PolarHBondContact O-N 3.18Å; K95-I111 HydrophobicContact CB-CD1 4.42Å; K95-I111 HydrophobicContact CG-CD1 3.83Å
96N98.5Very high98.3Very high80 Ų8070.7 Ų70.743%0.42834%0.336SS..Hα-helixtrans-60.3-33.8178.7-73.2-26.9000113.9E92 L94 K100E92-N96 WeakPolarHBondContact O-CB 3.04Å; E92-N96 VanDerWaalsContact O-CG 3.29Å; E92-N96 PolarHBondContact O-N 2.92Å; E92-N96 PolarHBondContact O-ND2 3.04Å; L94-N96 PolarHBondContact O-N 3.38Å; N96-K100 WeakPolarHBondContact O-CD 3.29Å; N96-K100 VanDerWaalsContact O-CG 3.27Å; N96-K100 WeakPolarHBondContact O-CG 3.29Å
97V98.6Very high98.3Very high8 Ų871.6 Ų71.65%0.04834%0.341CS..Hα-helixtrans-78.8-40.7175.7171.40000111K71 L86 K93 L94 K95 K100 I101K71-V97 HydrophobicContact CD-CG2 4.01Å; K71-V97 HydrophobicContact CG-CG1 4.34Å; K71-V97 HydrophobicContact CG-CG2 4.38Å; L86-V97 HydrophobicContact CD1-CG1 4.13Å; L86-V97 HydrophobicContact CD2-CG1 4.2Å; K93-V97 WeakPolarHBondContact O-CG2 3.37Å; K93-V97 PolarHBondContact O-N 3.17Å; L94-V97 PolarHBondContact O-N 3.38Å; K95-V97 VanDerWaalsContact C-N 3.28Å; K95-V97 PolarHBondContact O-N 3.48Å; V97-K100 PolarHBondContact O-N 2.82Å; V97-I101 HydrophobicContact CG1-CD1 3.77Å; V97-I101 HydrophobicContact CG1-CG1 4.38Å; V97-I101 WeakPolarHBondContact O-CG1 3.42Å; V97-I101 PolarHBondContact O-N 3.11Å
98A98.8Very high98.3Very high2 Ų278.2 Ų78.22%0.01737%0.37CS..Hα-helixtrans-56.2-56.4175.200000111.1L86 L94 K95 K100 I101 E102 T109 I111L86-A98 HydrophobicContact CD1-CB 3.83Å; L94-A98 VanDerWaalsContact O-CB 3.29Å; L94-A98 WeakPolarHBondContact O-CB 3.25Å; L94-A98 PolarHBondContact O-N 3.5Å; K95-A98 WeakPolarHBondContact O-CB 3.41Å; K95-A98 PolarHBondContact O-N 3.07Å; K95-A98 VanDerWaalsContact O-N 3.15Å; A98-K100 PolarHBondContact O-N 3.2Å; A98-I101 PolarHBondContact O-N 3.14Å; A98-E102 WeakPolarHBondContact O-CG 3.36Å; A98-E102 PolarHBondContact O-N 3.45Å; A98-T109 HydrophobicContact CB-CG2 4.33Å; A98-T109 VanDerWaalsContact CB-OG1 3.32Å; A98-T109 WeakPolarHBondContact CB-OG1 3.49Å; A98-I111 HydrophobicContact CB-CD1 3.86Å; A98-I111 HydrophobicContact CB-CG1 4.12Å
99D98.6Very high98.3Very high89 Ų8978.8 Ų78.848%0.47637%0.373SS..Hα-helixtrans-56.1-40.1-178.6-62.9-15.9000111.8K95 S103K95-D99 WeakPolarHBondContact O-CB 3.43Å; K95-D99 PolarHBondContact O-N 3.18Å; D99-S103 WeakPolarHBondContact O-CB 3.41Å; D99-S103 PolarHBondContact O-N 2.88Å; D99-S103 PolarHBondContact O-OG 2.91Å
100K98.4Very high98.4Very high108 Ų10874.5 Ų74.547%0.4736%0.357SS..Hα-helixtrans-65.9-46.6175.2-74.1176.7-176.8-178.90111.6N96 V97 A98 E102 S103 F104N96-K100 WeakPolarHBondContact O-CD 3.29Å; N96-K100 VanDerWaalsContact O-CG 3.27Å; N96-K100 WeakPolarHBondContact O-CG 3.29Å; V97-K100 PolarHBondContact O-N 2.82Å; A98-K100 PolarHBondContact O-N 3.2Å; K100-E102 PolarHBondContact O-N 3.35Å; K100-S103 PolarHBondContact O-N 3.25Å; K100-F104 HydrophobicContact CB-CD2 4.33Å; K100-F104 WeakPolarHBondContact O-CB 3.43Å; K100-F104 VanDerWaalsContact O-CD2 3.25Å; K100-F104 WeakPolarHBondContact O-CD2 3.29Å; K100-F104 PolarHBondContact O-N 3.12Å
101I98.7Very high98.5Very high0 Ų073.8 Ų73.80%035%0.352CS..Hα-helixtrans-61.1-46.6179.5-76.6172.9000110.8A74 E75 A78 I84 L86 V97 A98 Y105 V107 T109A74-I101 HydrophobicContact CB-CD1 3.89Å; E75-I101 HydrophobicContact CG-CG1 4.32Å; A78-I101 HydrophobicContact CB-CG2 3.63Å; I84-I101 HydrophobicContact CG1-CG2 4.24Å; L86-I101 HydrophobicContact CD1-CD1 4.4Å; L86-I101 HydrophobicContact CD2-CD1 4.01Å; V97-I101 HydrophobicContact CG1-CD1 3.77Å; V97-I101 HydrophobicContact CG1-CG1 4.38Å; V97-I101 WeakPolarHBondContact O-CG1 3.42Å; V97-I101 PolarHBondContact O-N 3.11Å; A98-I101 PolarHBondContact O-N 3.14Å; I101-Y105 HydrophobicContact CB-CD2 4.4Å; I101-Y105 HydrophobicContact CG1-CD2 4.4Å; I101-Y105 HydrophobicContact CG1-CE2 4.46Å; I101-Y105 HydrophobicContact CG2-CD2 4.28Å; I101-Y105 WeakPolarHBondContact O-CB 3.32Å; I101-Y105 WeakPolarHBondContact O-CD2 3.39Å; I101-Y105 PolarHBondContact O-N 2.83Å; I101-V107 HydrophobicContact CG2-CG2 3.62Å; I101-T109 HydrophobicContact CB-CG2 3.99Å; I101-T109 HydrophobicContact CG2-CG2 3.58Å
102E98.6Very high98.5Very high76 Ų7670.3 Ų70.336%0.35533%0.334SS..Hα-helixtrans-63.7-43.7179.2-61.9-170.5163.400111.5A98 K100 H106 V107 T109A98-E102 WeakPolarHBondContact O-CG 3.36Å; A98-E102 PolarHBondContact O-N 3.45Å; K100-E102 PolarHBondContact O-N 3.35Å; E102-H106 WeakPolarHBondContact O-CA 3.33Å; E102-H106 PolarHBondContact O-N 2.98Å; E102-V107 WeakPolarHBondContact CG-O 3.07Å; E102-T109 HydrophobicContact CG-CG2 3.59Å; E102-T109 WeakPolarHBondContact OE1-CB 3.29Å; E102-T109 PolarHBondContact OE1-N 3.23Å; E102-T109 PolarHBondContact OE1-OG1 3.04Å
103S98.2Very high98.5Very high82 Ų8267.4 Ų67.457%0.57333%0.326SS*.Hα-helixtrans-68.7-41.7-178.7-59.60000113.5D99 K100 H106D99-S103 WeakPolarHBondContact O-CB 3.41Å; D99-S103 PolarHBondContact O-N 2.88Å; D99-S103 PolarHBondContact O-OG 2.91Å; K100-S103 PolarHBondContact O-N 3.25Å; S103-H106 PolarHBondContact O-CE1 3.22Å
104F98Very high98.5Very high154 Ų15462.5 Ų62.568%0.67531%0.305SS*.Hα-helixtrans-86.3-31.9-174.7-80.9-76000113.8K100K100-F104 HydrophobicContact CB-CD2 4.33Å; K100-F104 WeakPolarHBondContact O-CB 3.43Å; K100-F104 VanDerWaalsContact O-CD2 3.25Å; K100-F104 WeakPolarHBondContact O-CD2 3.29Å; K100-F104 PolarHBondContact O-N 3.12Å
105Y98.2Very high98.5Very high54 Ų5464.8 Ų64.821%0.21232%0.318CS..Hα-helixtrans-114-7.6-172.3-54.7-65.4000114.1E75 A78 N79 I101 V107E75-Y105 HydrophobicContact CB-CE2 4.06Å; E75-Y105 HydrophobicContact CG-CE2 4.23Å; A78-Y105 HydrophobicContact CB-CD2 3.53Å; A78-Y105 HydrophobicContact CB-CE2 4.23Å; A78-Y105 HydrophobicContact CB-CG 3.84Å; N79-Y105 HydrophobicContact CB-CD1 3.73Å; N79-Y105 HydrophobicContact CB-CE1 3.54Å; I101-Y105 HydrophobicContact CB-CD2 4.4Å; I101-Y105 HydrophobicContact CG1-CD2 4.4Å; I101-Y105 HydrophobicContact CG1-CE2 4.46Å; I101-Y105 HydrophobicContact CG2-CD2 4.28Å; I101-Y105 WeakPolarHBondContact O-CB 3.32Å; I101-Y105 WeakPolarHBondContact O-CD2 3.39Å; I101-Y105 PolarHBondContact O-N 2.83Å; Y105-V107 VanDerWaalsContact C-N 3.27Å; Y105-V107 PolarHBondContact O-N 3.14Å
106H97.9Very high98.5Very high167 Ų16759.8 Ų59.877%0.77330%0.296SS*.  trans5738.3178.8-50.6-62.1000113.6E102 S103E102-H106 WeakPolarHBondContact O-CA 3.33Å; E102-H106 PolarHBondContact O-N 2.98Å; S103-H106 PolarHBondContact O-CE1 3.22Å
107V98.5Very high98.4Very high18 Ų1856.7 Ų56.711%0.10928%0.28CS..  trans-112.2167172.8-59.50000110.1A78 I101 E102 Y105A78-V107 HydrophobicContact CB-CG2 3.8Å; I101-V107 HydrophobicContact CG2-CG2 3.62Å; E102-V107 WeakPolarHBondContact CG-O 3.07Å; Y105-V107 VanDerWaalsContact C-N 3.27Å; Y105-V107 PolarHBondContact O-N 3.14Å
108K98.6Very high98.4Very high139 Ų13960.7 Ų60.760%0.60430%0.298SS*.  trans-85.6151173.7-58.2178.6-179.3178.20110.9W59 N83 I84W59-K108 HydrophobicContact CH2-CB 4.08Å; N83-K108 CarbonylContact C-O 3.51Å; N83-K108 VanDerWaalsContact CA-O 3.26Å; N83-K108 WeakPolarHBondContact CA-O 3.4Å; N83-K108 HydrophobicContact CB-CB 4.26Å; N83-K108 WeakPolarHBondContact CB-O 3.42Å; N83-K108 WeakPolarHBondContact OD1-CB 3.5Å; N83-K108 PolarHBondContact OD1-N 3.48Å; I84-K108 PolarHBondContact N-O 3.23Å
109T98.8Very high98.1Very high24 Ų2465.4 Ų65.415%0.14732%0.323CS..EExtended strand (participates in β ladder)trans-119.8158.1167.968.30000112.4I84 L86 A98 I101 E102I84-T109 CarbonylContact O-C 3.53Å; I84-T109 VanDerWaalsContact O-CA 3.23Å; I84-T109 WeakPolarHBondContact O-CA 3.46Å; L86-T109 HydrophobicContact CD1-CG2 4.38Å; A98-T109 HydrophobicContact CB-CG2 4.33Å; A98-T109 VanDerWaalsContact CB-OG1 3.32Å; A98-T109 WeakPolarHBondContact CB-OG1 3.49Å; I101-T109 HydrophobicContact CB-CG2 3.99Å; I101-T109 HydrophobicContact CG2-CG2 3.58Å; E102-T109 HydrophobicContact CG-CG2 3.59Å; E102-T109 WeakPolarHBondContact OE1-CB 3.29Å; E102-T109 PolarHBondContact OE1-N 3.23Å; E102-T109 PolarHBondContact OE1-OG1 3.04Å
110R98.7Very high98Very high61 Ų6167.4 Ų67.423%0.2333%0.334CS..EExtended strand (participates in β ladder)trans-134.5127.8170.9-179.3178.9-79.6-137.14.7108.2W59 I84 M85 L86 E128 E131W59-R110 HydrophobicContact CH2-CB 3.98Å; W59-R110 HydrophobicContact CZ3-CB 3.67Å; I84-R110 PolarHBondContact O-N 3.03Å; M85-R110 CarbonylContact C-O 3.56Å; M85-R110 WeakPolarHBondContact CA-O 3.28Å; M85-R110 HydrophobicContact CB-CB 4.48Å; M85-R110 VanDerWaalsContact CE-CD 3.44Å; M85-R110 HydrophobicContact CE-CG 4.29Å; L86-R110 PolarHBondContact N-O 2.85Å; R110-E128 WeakPolarHBondContact CD-OE2 3.48Å; R110-E128 IonicContact CZ-OE2 3.27Å; R110-E128 IonicContact NE-OE2 2.98Å; R110-E128 PolarHBondContact NH1-O 3.41Å; R110-E128 IonicContact NH1-OE2 2.71Å; R110-E128 PolarHBondContact NH1-OE2 3.09Å; R110-E131 IonicContact CZ-OE2 3.96Å; R110-E131 IonicContact NH1-OE2 3.72Å; R110-E131 PolarHBondContact NH1-OE2 3.01Å; R110-E131 IonicContact NH2-OE2 2.81Å; R110-E131 PolarHBondContact NH2-OE2 3.04Å
111I98.7Very high98Very high53 Ų5363.4 Ų63.427%0.27232%0.317SS..EExtended strand (participates in β ladder)trans-99.4129.4-177.3-66.9175.6000109.5L91 L94 K95 A98 V113L91-I111 HydrophobicContact CD1-CG2 4Å; L94-I111 HydrophobicContact CB-CD1 4.26Å; L94-I111 HydrophobicContact CB-CG1 4.34Å; L94-I111 HydrophobicContact CB-CG2 3.74Å; L94-I111 HydrophobicContact CD1-CG2 3.84Å; L94-I111 HydrophobicContact CD2-CG2 4.48Å; L94-I111 HydrophobicContact CG-CG2 4.21Å; K95-I111 HydrophobicContact CB-CD1 4.42Å; K95-I111 HydrophobicContact CG-CD1 3.83Å; A98-I111 HydrophobicContact CB-CD1 3.86Å; A98-I111 HydrophobicContact CB-CG1 4.12Å; I111-V113 HydrophobicContact CG2-CG2 4.35Å
112V98.7Very high97.9Very high8 Ų864.3 Ų64.35%0.04832%0.32CS..EExtended strand (participates in β ladder)trans-125.5118170.4-175.40000109M85 L86 I87 S88 I125 E128M85-V112 HydrophobicContact CE-CG2 4.17Å; M85-V112 HydrophobicContact CG-CG2 3.98Å; M85-V112 HydrophobicContact SD-CG2 4.06Å; L86-V112 PolarHBondContact O-N 2.93Å; I87-V112 WeakPolarHBondContact CA-O 3.47Å; I87-V112 HydrophobicContact CG1-CB 4.08Å; I87-V112 HydrophobicContact CG2-CB 4.24Å; I87-V112 HydrophobicContact CG2-CG1 4.3Å; S88-V112 PolarHBondContact N-O 2.79Å; V112-I125 HydrophobicContact CG1-CG1 3.98Å; V112-E128 HydrophobicContact CG1-CG 4.45Å; V112-E128 HydrophobicContact CG2-CB 3.99Å; V112-E128 HydrophobicContact CG2-CG 3.91Å
113V98.5Very high97.9Very high78 Ų7867.3 Ų67.347%0.47334%0.335SS..EExtended strand (participates in β ladder)trans-87.2117.1177.3-177.30000109S88 L91 L94 I111S88-V113 CarbonylContact O-C 3.58Å; S88-V113 WeakPolarHBondContact O-CA 3.21Å; L91-V113 HydrophobicContact CB-CG2 3.98Å; L91-V113 HydrophobicContact CD1-CG2 3.77Å; L91-V113 HydrophobicContact CG-CG2 4.39Å; L94-V113 HydrophobicContact CD1-CG2 4.03Å; I111-V113 HydrophobicContact CG2-CG2 4.35Å
114A98.4Very high97.9Very high3 Ų366.7 Ų66.73%0.02533%0.33CS..  trans-151136.9179.600000112.1I87 S88 R89 I121 I125I87-A114 HydrophobicContact CG2-CB 3.85Å; S88-A114 CarbonylContact C-O 3.52Å; S88-A114 VanDerWaalsContact C-O 3.32Å; S88-A114 PolarHBondContact O-N 3.2Å; R89-A114 VanDerWaalsContact CG-O 3.25Å; R89-A114 WeakPolarHBondContact CG-O 3.49Å; R89-A114 PolarHBondContact N-O 2.98Å; A114-I121 HydrophobicContact CB-CB 4.28Å; A114-I121 HydrophobicContact CB-CD1 3.89Å; A114-I121 HydrophobicContact CB-CG2 4.42Å; A114-I125 HydrophobicContact CB-CD1 3.74Å; A114-I125 HydrophobicContact CB-CG1 4.25Å
115D98.2Very high97.9Very high49 Ų4959.4 Ų59.426%0.26230%0.298SS..  trans-102108.8168.7-166.4-21.8000110.8R89 T117 Q118 I121R89-D115 VanDerWaalsContact CD-OD1 3.29Å; R89-D115 WeakPolarHBondContact CD-OD1 3.48Å; R89-D115 VanDerWaalsContact CD-OD2 3.29Å; R89-D115 WeakPolarHBondContact CD-OD2 3.4Å; R89-D115 HydrophobicContact CG-CB 3.83Å; D115-T117 PolarHBondContact O-N 2.71Å; D115-T117 VanDerWaalsContact O-N 3.09Å; D115-T117 WeakPolarHBondContact OD1-CB 3.34Å; D115-T117 WeakPolarHBondContact OD1-CG2 3.26Å; D115-T117 PolarHBondContact OD1-N 2.71Å; D115-T117 PolarHBondContact OD1-OG1 3.2Å; D115-T117 PolarHBondContact OD2-OG1 2.75Å; D115-Q118 HydrophobicContact CB-CG 4.06Å; D115-Q118 WeakPolarHBondContact O-CB 3.46Å; D115-Q118 PolarHBondContact O-N 2.97Å; D115-I121 VanDerWaalsContact O-CD1 3.31Å; D115-I121 WeakPolarHBondContact O-CD1 3.47Å
116F98.3Very high97.9Very high2 Ų257.7 Ų57.71%0.00930%0.297CS..THydrogen-bonded Turntrans-71.44.1-179.1-72.7-84.4000114.2T63 I87 Q118 I121 Y122 I125 V142 S168 C169 S173 M177T63-F116 HydrophobicContact CG2-CE1 4.5Å; T63-F116 HydrophobicContact CG2-CE2 4.2Å; T63-F116 HydrophobicContact CG2-CZ 3.68Å; I87-F116 HydrophobicContact CB-CE2 4.46Å; I87-F116 HydrophobicContact CG2-CE2 3.7Å; I87-F116 HydrophobicContact CG2-CZ 3.86Å; F116-Q118 VanDerWaalsContact C-N 3.32Å; F116-I121 HydrophobicContact CD1-CD1 3.94Å; F116-I121 HydrophobicContact CE1-CD1 4.3Å; F116-I121 HydrophobicContact CG-CD1 4.19Å; F116-Y122 HydrophobicContact CD1-CE1 4.03Å; F116-Y122 AromaticContact CE1-CE1 3.96Å; F116-Y122 HydrophobicContact CE1-CE1 3.96Å; F116-I125 HydrophobicContact CE1-CD1 4.3Å; F116-I125 HydrophobicContact CZ-CD1 4.26Å; F116-V142 HydrophobicContact CB-CG1 4.26Å; F116-V142 HydrophobicContact CB-CG2 4.24Å; F116-V142 HydrophobicContact CD1-CG1 4.21Å; F116-V142 HydrophobicContact CD2-CB 4.07Å; F116-V142 HydrophobicContact CD2-CG1 3.79Å; F116-V142 HydrophobicContact CD2-CG2 3.7Å; F116-V142 HydrophobicContact CE1-CG1 4.49Å; F116-V142 HydrophobicContact CE2-CB 4.35Å; F116-V142 HydrophobicContact CE2-CG1 4.08Å; F116-V142 HydrophobicContact CE2-CG2 4.37Å; F116-V142 HydrophobicContact CG-CG1 3.82Å; F116-V142 HydrophobicContact CG-CG2 4.2Å; F116-V142 HydrophobicContact CZ-CG1 4.42Å; F116-S168 CarbonylContact O-C 3.56Å; F116-S168 VanDerWaalsContact O-C 3.29Å; F116-C169 HydrophobicContact CB-CB 4.5Å; F116-C169 VanDerWaalsContact O-CA 3.29Å; F116-C169 WeakPolarHBondContact O-CA 3.28Å; F116-C169 PolarHBondContact O-N 3.29Å; F116-S173 VanDerWaalsContact CD1-CB 3.43Å; F116-M177 HydrophobicContact CE1-CG 3.85Å; F116-M177 HydrophobicContact CE1-SD 3.96Å; F116-M177 HydrophobicContact CZ-CG 4.3Å; F116-M177 HydrophobicContact CZ-SD 4.15Å
117T97.9Very high97.9Very high16 Ų1655.3 Ų55.310%0.09829%0.285CS..THydrogen-bonded Turntrans-81.7-13.616262.40000112.6D115 M144 D165 C169D115-T117 PolarHBondContact O-N 2.71Å; D115-T117 VanDerWaalsContact O-N 3.09Å; D115-T117 WeakPolarHBondContact OD1-CB 3.34Å; D115-T117 WeakPolarHBondContact OD1-CG2 3.26Å; D115-T117 PolarHBondContact OD1-N 2.71Å; D115-T117 PolarHBondContact OD1-OG1 3.2Å; D115-T117 PolarHBondContact OD2-OG1 2.75Å; T117-M144 HydrophobicContact CG2-SD 3.64Å; T117-D165 HydrophobicContact CG2-CB 3.76Å; T117-C169 HydrophobicContact CG2-CB 4.36Å
118Q97.2Very high97.9Very high91 Ų9157.1 Ų57.143%0.42529%0.292SS..  trans-104147.5-176.8-53.6-59.1-53.600111.5D115 F116 I121D115-Q118 HydrophobicContact CB-CG 4.06Å; D115-Q118 WeakPolarHBondContact O-CB 3.46Å; D115-Q118 PolarHBondContact O-N 2.97Å; F116-Q118 VanDerWaalsContact C-N 3.32Å; Q118-I121 HydrophobicContact CB-CG2 4.24Å; Q118-I121 WeakPolarHBondContact O-CG1 3.4Å
119N93.8Very high97.9Very high102 Ų10250.7 Ų50.755%0.54526%0.264SS..SBendtrans-92.4-22-178.4-72.7-27.7000114.2I121 Y122 Q172N119-I121 VanDerWaalsContact C-N 3.26Å; N119-I121 PolarHBondContact O-N 3.03Å; N119-Y122 WeakPolarHBondContact O-CD2 3.42Å; N119-Q172 PolarHBondContact OD1-NE2 3.35Å; N119-Q172 PolarHBondContact OD1-OE1 2.87Å
120N95.9Very high97.9Very high131 Ų13152.7 Ų52.770%0.70128%0.283SS*.THydrogen-bonded Turntrans-81.33.4-17564.3-24.5000114.3
121I97.8Very high97.8Very high23 Ų2355.8 Ų55.812%0.11830%0.3CS..THydrogen-bonded Turntrans-86.3-24.6-175.856.9161.5000113.9A114 D115 F116 Q118 N119 E123 S124 I125A114-I121 HydrophobicContact CB-CB 4.28Å; A114-I121 HydrophobicContact CB-CD1 3.89Å; A114-I121 HydrophobicContact CB-CG2 4.42Å; D115-I121 VanDerWaalsContact O-CD1 3.31Å; D115-I121 WeakPolarHBondContact O-CD1 3.47Å; F116-I121 HydrophobicContact CD1-CD1 3.94Å; F116-I121 HydrophobicContact CE1-CD1 4.3Å; F116-I121 HydrophobicContact CG-CD1 4.19Å; Q118-I121 HydrophobicContact CB-CG2 4.24Å; Q118-I121 WeakPolarHBondContact O-CG1 3.4Å; N119-I121 VanDerWaalsContact C-N 3.26Å; N119-I121 PolarHBondContact O-N 3.03Å; I121-E123 PolarHBondContact O-N 3.18Å; I121-S124 PolarHBondContact O-N 3.1Å; I121-I125 HydrophobicContact CB-CD1 4.21Å; I121-I125 HydrophobicContact CD1-CD1 3.83Å; I121-I125 HydrophobicContact CG1-CD1 4.14Å; I121-I125 WeakPolarHBondContact O-CG1 3.47Å; I121-I125 PolarHBondContact O-N 3.03Å
122Y98.3Very high97.8Very high19 Ų1953.3 Ų53.38%0.07529%0.287CS..Hα-helixtrans-73-29.3-165-65.5-71.9000113.9F116 N119 I125 G126 S173 T176 L180F116-Y122 HydrophobicContact CD1-CE1 4.03Å; F116-Y122 AromaticContact CE1-CE1 3.96Å; F116-Y122 HydrophobicContact CE1-CE1 3.96Å; N119-Y122 WeakPolarHBondContact O-CD2 3.42Å; Y122-I125 HydrophobicContact CD1-CD1 4.35Å; Y122-I125 PolarHBondContact O-N 2.86Å; Y122-G126 PolarHBondContact O-N 2.81Å; Y122-S173 WeakPolarHBondContact OH-CA 3.22Å; Y122-S173 PolarHBondContact OH-N 3.34Å; Y122-T176 HydrophobicContact CD1-CG2 3.33Å; Y122-T176 HydrophobicContact CD2-CG2 3.98Å; Y122-T176 HydrophobicContact CE1-CG2 3.71Å; Y122-T176 HydrophobicContact CE2-CG2 4.32Å; Y122-T176 HydrophobicContact CG-CG2 3.47Å; Y122-T176 VanDerWaalsContact CG-CG2 3.47Å; Y122-L180 HydrophobicContact CD1-CD1 4.37Å
123E97.5Very high97.7Very high139 Ų13956.4 Ų56.465%0.6531%0.309SS*.Hα-helixtrans-64.6-44.1174.2-166.5-165.3143.400110.8I121 G126 K127I121-E123 PolarHBondContact O-N 3.18Å; E123-G126 PolarHBondContact O-N 3.41Å; E123-K127 WeakPolarHBondContact O-CG 3.45Å; E123-K127 PolarHBondContact O-N 2.78Å; E123-K127 VanDerWaalsContact O-N 3.13Å; E123-K127 WeakPolarHBondContact OE1-CE 3.31Å; E123-K127 IonicContact OE1-NZ 3.38Å; E123-K127 PolarHBondContact OE1-NZ 3.08Å
124S97.8Very high97.6Very high69 Ų6953.6 Ų53.648%0.48329%0.293SS..Hα-helixtrans-63.6-47176.4-174.10000111.4I121 G126 K127 E128I121-S124 PolarHBondContact O-N 3.1Å; S124-G126 VanDerWaalsContact C-N 3.28Å; S124-G126 PolarHBondContact O-N 2.94Å; S124-K127 WeakPolarHBondContact O-CB 3.49Å; S124-K127 PolarHBondContact O-N 3.26Å; S124-E128 PolarHBondContact O-N 3.27Å
125I98.5Very high97.6Very high1 Ų153.4 Ų53.41%0.00529%0.292CS..Hα-helixtrans-58.8-41.2174.9-66.8166.6000111.2I87 V112 A114 F116 I121 Y122 K127 E128 I129 M177 L180I87-I125 HydrophobicContact CD1-CG2 4.16Å; V112-I125 HydrophobicContact CG1-CG1 3.98Å; A114-I125 HydrophobicContact CB-CD1 3.74Å; A114-I125 HydrophobicContact CB-CG1 4.25Å; F116-I125 HydrophobicContact CE1-CD1 4.3Å; F116-I125 HydrophobicContact CZ-CD1 4.26Å; I121-I125 HydrophobicContact CB-CD1 4.21Å; I121-I125 HydrophobicContact CD1-CD1 3.83Å; I121-I125 HydrophobicContact CG1-CD1 4.14Å; I121-I125 WeakPolarHBondContact O-CG1 3.47Å; I121-I125 PolarHBondContact O-N 3.03Å; Y122-I125 HydrophobicContact CD1-CD1 4.35Å; Y122-I125 PolarHBondContact O-N 2.86Å; I125-K127 VanDerWaalsContact C-N 3.32Å; I125-K127 PolarHBondContact O-N 3.42Å; I125-E128 PolarHBondContact O-N 3.35Å; I125-I129 HydrophobicContact CG2-CD1 3.57Å; I125-I129 HydrophobicContact CG2-CG1 4.19Å; I125-I129 VanDerWaalsContact O-CG1 3.28Å; I125-I129 WeakPolarHBondContact O-CG1 3.36Å; I125-I129 PolarHBondContact O-N 3.34Å; I125-M177 HydrophobicContact CD1-SD 4.45Å; I125-M177 HydrophobicContact CG2-CE 4Å; I125-M177 HydrophobicContact CG2-SD 3.77Å; I125-L180 HydrophobicContact CG2-CD1 4.22Å
126G98.4Very high97.6Very high18 Ų1851.1 Ų51.119%0.18628%0.279CS..Hα-helixtrans-60.1-39.9178.100000112.9Y122 E123 S124 I129 A130Y122-G126 PolarHBondContact O-N 2.81Å; E123-G126 PolarHBondContact O-N 3.41Å; S124-G126 VanDerWaalsContact C-N 3.28Å; S124-G126 PolarHBondContact O-N 2.94Å; G126-I129 PolarHBondContact O-N 3.03Å; G126-A130 WeakPolarHBondContact O-CB 3.4Å; G126-A130 PolarHBondContact O-N 3.43Å
127K98.2Very high97.6Very high118 Ų11851 Ų5151%0.51328%0.279SS..Hα-helixtrans-62.4-47.8174.9-69170.8-173.6167.40111E123 S124 I125 I129 A130 E131E123-K127 WeakPolarHBondContact O-CG 3.45Å; E123-K127 PolarHBondContact O-N 2.78Å; E123-K127 VanDerWaalsContact O-N 3.13Å; E123-K127 WeakPolarHBondContact OE1-CE 3.31Å; E123-K127 IonicContact OE1-NZ 3.38Å; E123-K127 PolarHBondContact OE1-NZ 3.08Å; S124-K127 WeakPolarHBondContact O-CB 3.49Å; S124-K127 PolarHBondContact O-N 3.26Å; I125-K127 VanDerWaalsContact C-N 3.32Å; I125-K127 PolarHBondContact O-N 3.42Å; K127-I129 VanDerWaalsContact C-N 3.34Å; K127-I129 PolarHBondContact O-N 3.29Å; K127-A130 WeakPolarHBondContact O-CB 3.45Å; K127-A130 PolarHBondContact O-N 3.23Å; K127-A130 VanDerWaalsContact O-N 3.16Å; K127-E131 PolarHBondContact O-N 2.97Å
128E98.4Very high97.7Very high56 Ų5650.2 Ų50.226%0.26227%0.274SS..Hα-helixtrans-59.9-41.2176.8-69.8-66.1160.900112.8M85 R110 V112 S124 I125M85-E128 HydrophobicContact CE-CB 3.84Å; M85-E128 WeakPolarHBondContact CE-O 3.49Å; R110-E128 WeakPolarHBondContact CD-OE2 3.48Å; R110-E128 IonicContact CZ-OE2 3.27Å; R110-E128 IonicContact NE-OE2 2.98Å; R110-E128 PolarHBondContact NH1-O 3.41Å; R110-E128 IonicContact NH1-OE2 2.71Å; R110-E128 PolarHBondContact NH1-OE2 3.09Å; V112-E128 HydrophobicContact CG1-CG 4.45Å; V112-E128 HydrophobicContact CG2-CB 3.99Å; V112-E128 HydrophobicContact CG2-CG 3.91Å; S124-E128 PolarHBondContact O-N 3.27Å; I125-E128 PolarHBondContact O-N 3.35Å
129I98.5Very high97.8Very high4 Ų445.9 Ų45.92%0.02125%0.254CS..Hα-helixtrans-66.4-38.3176.9-69.5168.6000111.3I61 M85 I125 G126 K127 E131 L132 I135 M177 L180 V181 K184I61-I129 HydrophobicContact CD1-CD1 4.43Å; I61-I129 HydrophobicContact CD1-CG1 4.02Å; I61-I129 HydrophobicContact CD1-CG2 4.36Å; M85-I129 HydrophobicContact SD-CG1 4.18Å; I125-I129 HydrophobicContact CG2-CD1 3.57Å; I125-I129 HydrophobicContact CG2-CG1 4.19Å; I125-I129 VanDerWaalsContact O-CG1 3.28Å; I125-I129 WeakPolarHBondContact O-CG1 3.36Å; I125-I129 PolarHBondContact O-N 3.34Å; G126-I129 PolarHBondContact O-N 3.03Å; K127-I129 VanDerWaalsContact C-N 3.34Å; K127-I129 PolarHBondContact O-N 3.29Å; I129-E131 VanDerWaalsContact C-N 3.28Å; I129-E131 PolarHBondContact O-N 2.85Å; I129-L132 WeakPolarHBondContact O-CB 3.49Å; I129-L132 PolarHBondContact O-N 3.4Å; I129-I135 HydrophobicContact CG2-CD1 3.89Å; I129-M177 HydrophobicContact CD1-CE 3.88Å; I129-L180 HydrophobicContact CD1-CB 4.07Å; I129-L180 HydrophobicContact CD1-CD1 4.36Å; I129-V181 HydrophobicContact CD1-CG2 3.81Å; I129-V181 HydrophobicContact CG2-CG2 4.16Å; I129-K184 HydrophobicContact CG2-CD 4.45Å
130A97.6Very high98Very high65 Ų6541.2 Ų41.254%0.53723%0.229SC..Hα-helixtrans-61.4-38.7-179.100000111.8G126 K127 L132 K184G126-A130 WeakPolarHBondContact O-CB 3.4Å; G126-A130 PolarHBondContact O-N 3.43Å; K127-A130 WeakPolarHBondContact O-CB 3.45Å; K127-A130 PolarHBondContact O-N 3.23Å; K127-A130 VanDerWaalsContact O-N 3.16Å; A130-L132 VanDerWaalsContact C-N 3.27Å; A130-L132 PolarHBondContact O-N 3.22Å; A130-K184 PolarHBondContact O-NZ 2.9Å; A130-K184 VanDerWaalsContact O-NZ 3.08Å
131E97.8Very high98.1Very high126 Ų12636.1 Ų36.159%0.58920%0.201SC*.THydrogen-bonded Turntrans-70.1-15.2178.9-68.7-177.8-176.200114.9R110 K127 I129 S133R110-E131 IonicContact CZ-OE2 3.96Å; R110-E131 IonicContact NH1-OE2 3.72Å; R110-E131 PolarHBondContact NH1-OE2 3.01Å; R110-E131 IonicContact NH2-OE2 2.81Å; R110-E131 PolarHBondContact NH2-OE2 3.04Å; K127-E131 PolarHBondContact O-N 2.97Å; I129-E131 VanDerWaalsContact C-N 3.28Å; I129-E131 PolarHBondContact O-N 2.85Å; E131-S133 PolarHBondContact O-N 2.91Å
132L98.2Very high98.1Very high2 Ų236 Ų361%0.0120%0.202CC..  trans-67.5132.8175.4-61.8-175.4000110.5W59 I61 M85 I129 A130 S134 I135 K184W59-L132 HydrophobicContact CB-CD1 3.96Å; W59-L132 HydrophobicContact CB-CD2 4.46Å; W59-L132 HydrophobicContact CD2-CD2 3.6Å; W59-L132 HydrophobicContact CE3-CD2 3.97Å; W59-L132 HydrophobicContact CG-CB 4.37Å; W59-L132 HydrophobicContact CG-CD1 4.2Å; W59-L132 HydrophobicContact CG-CD2 3.81Å; W59-L132 HydrophobicContact CG-CG 4.36Å; W59-L132 HydrophobicContact CZ2-CD2 4.37Å; W59-L132 HydrophobicContact CZ3-CD2 4.5Å; I61-L132 HydrophobicContact CD1-CD1 3.99Å; I61-L132 HydrophobicContact CG1-CD1 3.92Å; M85-L132 HydrophobicContact CE-CD1 3.66Å; M85-L132 HydrophobicContact CE-CD2 3.83Å; M85-L132 HydrophobicContact CE-CG 3.79Å; M85-L132 HydrophobicContact SD-CD1 4.21Å; I129-L132 WeakPolarHBondContact O-CB 3.49Å; I129-L132 PolarHBondContact O-N 3.4Å; A130-L132 VanDerWaalsContact C-N 3.27Å; A130-L132 PolarHBondContact O-N 3.22Å; L132-S134 PolarHBondContact O-N 3.47Å; L132-I135 HydrophobicContact CB-CG1 4.31Å; L132-I135 HydrophobicContact CD1-CD1 4.36Å; L132-I135 HydrophobicContact CD1-CG1 4.04Å; L132-K184 WeakPolarHBondContact O-CE 3.06Å; L132-K184 PolarHBondContact O-NZ 2.93Å
133S96.3Very high98.1Very high73 Ų7336 Ų3651%0.5121%0.208SC..SBendtrans-57.1-51.4179.451.70000112.3E58 E131E58-S133 WeakPolarHBondContact OE2-CB 3.49Å; E58-S133 PolarHBondContact OE2-OG 3.22Å; E131-S133 PolarHBondContact O-N 2.91Å
134S97.5Very high98Very high18 Ų1831.1 Ų31.113%0.12619%0.185CC..  trans-158.8151.6175.357.20000110.3G57 E58 W59 L132G57-S134 WeakPolarHBondContact CA-OG 3.19Å; E58-S134 PolarHBondContact N-O 3.15Å; E58-S134 PolarHBondContact N-OG 2.83Å; W59-S134 WeakPolarHBondContact CB-O 3.47Å; W59-S134 PolarHBondContact N-O 2.86Å; L132-S134 PolarHBondContact O-N 3.47Å
135I98.5Very high97.9Very high0 Ų029.7 Ų29.70%018%0.175CC..EExtended strand (participates in β ladder)trans-115.6124.4-176.4-57.6165.2000108.7W59 I61 I129 L132 V181 K184 L185 Q188W59-I135 CarbonylContact O-C 3.51Å; W59-I135 WeakPolarHBondContact O-CA 3.45Å; I61-I135 HydrophobicContact CD1-CD1 3.72Å; I61-I135 HydrophobicContact CD1-CG1 4.2Å; I61-I135 HydrophobicContact CD1-CG2 4.11Å; I61-I135 HydrophobicContact CG1-CG2 4.45Å; I129-I135 HydrophobicContact CG2-CD1 3.89Å; L132-I135 HydrophobicContact CB-CG1 4.31Å; L132-I135 HydrophobicContact CD1-CD1 4.36Å; L132-I135 HydrophobicContact CD1-CG1 4.04Å; I135-V181 HydrophobicContact CD1-CG1 4.04Å; I135-V181 HydrophobicContact CG2-CG1 4.25Å; I135-K184 HydrophobicContact CD1-CD 3.7Å; I135-K184 HydrophobicContact CD1-CG 4.31Å; I135-K184 HydrophobicContact CG1-CD 4.49Å; I135-L185 HydrophobicContact CB-CD2 3.68Å; I135-L185 HydrophobicContact CG2-CD2 3.79Å; I135-L185 VanDerWaalsContact O-CD2 3.26Å; I135-L185 WeakPolarHBondContact O-CD2 3.28Å; I135-Q188 PolarHBondContact O-NE2 2.83Å; I135-Q188 PolarHBondContact O-OE1 3.48Å
136A98.4Very high97.6Very high0 Ų030.1 Ų30.10%018%0.177CC..EExtended strand (participates in β ladder)trans-83-43.4171.600000111.3L53 W59 L82 S193 A194L53-A136 HydrophobicContact CB-CB 4.38Å; L53-A136 WeakPolarHBondContact O-CB 3.48Å; W59-A136 PolarHBondContact O-N 2.98Å; L82-A136 HydrophobicContact CD1-CB 4.05Å; L82-A136 HydrophobicContact CD2-CB 3.54Å; L82-A136 HydrophobicContact CG-CB 4.47Å; A136-S193 CarbonylContact O-C 3.32Å; A136-S193 WeakPolarHBondContact O-CA 3.27Å; A136-S193 WeakPolarHBondContact O-CB 3.44Å; A136-A194 PolarHBondContact O-N 3.23Å
137C98.1Very high97.2Very high0 Ų031 Ų310%018%0.179CC..EExtended strand (participates in β ladder)trans-151.2141.5-173-173.10000113.4L53 A60 I61 A194L53-C137 HydrophobicContact CD1-CB 4.33Å; L53-C137 HydrophobicContact CD2-CB 4.22Å; A60-C137 CarbonylContact C-O 3.58Å; A60-C137 VanDerWaalsContact CA-O 3.27Å; A60-C137 WeakPolarHBondContact CA-O 3.14Å; A60-C137 HydrophobicContact CB-CB 4.39Å; I61-C137 PolarHBondContact N-O 2.9Å; C137-A194 CarbonylContact C-O 3.56Å; C137-A194 WeakPolarHBondContact CA-O 3.39Å; C137-A194 PolarHBondContact SG-O 3.42Å
138L98.8Very high96.6Very high0 Ų030 Ų300%017%0.173CC..EExtended strand (participates in β ladder)trans-106.2123.8160.9169.363.9000109.2I61 N140 M177 V181 A194 I195 I196I61-L138 HydrophobicContact CB-CD1 3.95Å; I61-L138 HydrophobicContact CG2-CD1 3.83Å; I61-L138 CarbonylContact O-C 3.53Å; L138-N140 WeakPolarHBondContact CD2-ND2 3.44Å; L138-M177 HydrophobicContact CD1-CE 4.07Å; L138-M177 HydrophobicContact CD2-CB 4.1Å; L138-V181 HydrophobicContact CB-CG1 4.09Å; L138-V181 HydrophobicContact CD1-CG2 4.43Å; L138-V181 HydrophobicContact CD2-CB 3.94Å; L138-V181 HydrophobicContact CD2-CG1 4.36Å; L138-V181 HydrophobicContact CD2-CG2 3.96Å; L138-A194 PolarHBondContact N-O 2.69Å; L138-I195 HydrophobicContact CB-CG1 4.38Å; L138-I195 HydrophobicContact CD2-CG2 4.21Å; L138-I195 HydrophobicContact CG-CG2 4.49Å; L138-I195 CarbonylContact O-C 3.52Å; L138-I195 WeakPolarHBondContact O-CA 3.03Å; L138-I196 PolarHBondContact O-N 3.01Å
139V98.9Very high96Very high0 Ų029.6 Ų29.60%017%0.17CC..EExtended strand (participates in β ladder)trans-106.198.6170.8-173.20000108.8I61 V62 T63 Y73 L77 N141 I196 I198I61-V139 PolarHBondContact O-N 2.83Å; V62-V139 HydrophobicContact CB-CB 4.47Å; V62-V139 HydrophobicContact CG1-CB 4.21Å; V62-V139 HydrophobicContact CG1-CG1 4.44Å; V62-V139 HydrophobicContact CG2-CB 4.16Å; V62-V139 HydrophobicContact CG2-CG2 4.21Å; T63-V139 PolarHBondContact N-O 2.64Å; T63-V139 PolarHBondContact OG1-O 3.29Å; Y73-V139 HydrophobicContact CD1-CG1 3.92Å; Y73-V139 HydrophobicContact CD1-CG2 3.91Å; Y73-V139 HydrophobicContact CE1-CG1 4.39Å; Y73-V139 HydrophobicContact CG-CG1 4.01Å; L77-V139 HydrophobicContact CD1-CG2 3.79Å; V139-N141 HydrophobicContact CG1-CB 4.06Å; V139-N141 PolarHBondContact O-N 2.84Å; V139-N141 VanDerWaalsContact O-N 3.11Å; V139-I196 CarbonylContact C-O 3.5Å; V139-I196 WeakPolarHBondContact CA-O 3.37Å; V139-I196 HydrophobicContact CG2-CB 4.42Å; V139-I196 HydrophobicContact CG2-CD1 4.44Å; V139-I198 HydrophobicContact CG1-CD1 4.45Å; V139-I198 HydrophobicContact CG1-CG1 4.35Å
140N98.9Very high95.4Very high3 Ų331.3 Ų31.32%0.01618%0.178CC..EExtended strand (participates in β ladder)trans-77.689171.6-78.4-40.8000109.4L138 V174 M177 T178 I196 N197 I198L138-N140 WeakPolarHBondContact CD2-ND2 3.44Å; N140-V174 HydrophobicContact CB-CG1 4.4Å; N140-V174 HydrophobicContact CB-CG2 4.24Å; N140-M177 VanDerWaalsContact OD1-CB 3.25Å; N140-M177 WeakPolarHBondContact OD1-CB 3.43Å; N140-T178 PolarHBondContact ND2-OG1 3Å; N140-I196 PolarHBondContact N-O 3.19Å; N140-N197 WeakPolarHBondContact CB-OD1 3.48Å; N140-N197 PolarHBondContact ND2-OD1 3.34Å; N140-I198 PolarHBondContact O-N 3.24Å
141N98.7Very high95Very high24 Ų2431.4 Ų31.413%0.12817%0.17CC..  trans-112.3-26.1-176.6159.991.1000114.1T63 G64 G70 V139 G143 I198T63-N141 VanDerWaalsContact O-CB 3.26Å; T63-N141 WeakPolarHBondContact O-CB 3.23Å; T63-N141 PolarHBondContact O-ND2 2.93Å; T63-N141 PolarHBondContact OG1-N 3.25Å; G64-N141 PolarHBondContact O-ND2 3.28Å; G70-N141 WeakPolarHBondContact CA-ND2 3.47Å; G70-N141 PolarHBondContact N-ND2 2.94Å; G70-N141 PolarHBondContact N-OD1 3.43Å; G70-N141 VanDerWaalsContact N-OD1 3.17Å; V139-N141 HydrophobicContact CG1-CB 4.06Å; V139-N141 PolarHBondContact O-N 2.84Å; V139-N141 VanDerWaalsContact O-N 3.11Å; N141-G143 PolarHBondContact O-N 2.89Å; N141-I198 HydrophobicContact CB-CB 4.36Å; N141-I198 HydrophobicContact CB-CG1 3.69Å
142V98.1Very high94.8Very high21 Ų2130.8 Ų30.813%0.12716%0.163CC..  trans-51.4141.8-177.270.10000111.5T63 F116T63-V142 PolarHBondContact O-N 3.4Å; T63-V142 WeakPolarHBondContact OG1-CG1 3.44Å; T63-V142 PolarHBondContact OG1-N 3.5Å; F116-V142 HydrophobicContact CB-CG1 4.26Å; F116-V142 HydrophobicContact CB-CG2 4.24Å; F116-V142 HydrophobicContact CD1-CG1 4.21Å; F116-V142 HydrophobicContact CD2-CB 4.07Å; F116-V142 HydrophobicContact CD2-CG1 3.79Å; F116-V142 HydrophobicContact CD2-CG2 3.7Å; F116-V142 HydrophobicContact CE1-CG1 4.49Å; F116-V142 HydrophobicContact CE2-CB 4.35Å; F116-V142 HydrophobicContact CE2-CG1 4.08Å; F116-V142 HydrophobicContact CE2-CG2 4.37Å; F116-V142 HydrophobicContact CG-CG1 3.82Å; F116-V142 HydrophobicContact CG-CG2 4.2Å; F116-V142 HydrophobicContact CZ-CG1 4.42Å
143G97Very high94.5Very high19 Ų1935.2 Ų35.220%0.19620%0.2CC..  trans-176.6167.8173.200000113.5N141 N170 M252N141-G143 PolarHBondContact O-N 2.89Å; G143-N170 WeakPolarHBondContact CA-OD1 3.47Å; G143-M252 WeakPolarHBondContact O-CE 3.42Å
144M96.2Very high94.3Very high36 Ų3636.8 Ų36.818%0.17720%0.202CC..  trans-116.4149.1173.6-72.2170.863.100109.8T117 F162 D165 L166 C169 N170 Y213T117-M144 HydrophobicContact CG2-SD 3.64Å; M144-F162 HydrophobicContact CE-CE2 4.37Å; M144-D165 HydrophobicContact CE-CB 3.81Å; M144-D165 HydrophobicContact SD-CB 4.02Å; M144-L166 HydrophobicContact CB-CD1 3.67Å; M144-L166 VanDerWaalsContact O-CD1 3.26Å; M144-L166 WeakPolarHBondContact O-CD1 3.32Å; M144-C169 HydrophobicContact CG-CB 4.06Å; M144-C169 HydrophobicContact SD-CB 3.76Å; M144-N170 PolarHBondContact N-OD1 3.02Å; M144-N170 PolarHBondContact O-ND2 3.24Å; M144-N170 PolarHBondContact O-OD1 2.86Å; M144-Y213 VanDerWaalsContact O-CD2 3.26Å; M144-Y213 WeakPolarHBondContact O-CD2 3.47Å; M144-Y213 VanDerWaalsContact O-CE2 3.32Å; M144-Y213 WeakPolarHBondContact O-CE2 3.39Å
145S94.4Very high94Very high39 Ų3936.2 Ų36.227%0.27320%0.199SC..  trans-119166172.868.20000109.9
146Y93.5Very high93.7Very high11 Ų1145.7 Ų45.74%0.04324%0.24CC..  trans-62.1143.2166.7-75.514.3000110.1Y148 F157 M158 F162 L166 C209 N210 L212Y146-Y148 VanDerWaalsContact C-N 3.31Å; Y146-Y148 WeakPolarHBondContact CB-O 3.43Å; Y146-F157 HydrophobicContact CD1-CE2 4.05Å; Y146-F157 HydrophobicContact CD1-CZ 4.35Å; Y146-F157 AromaticContact CD2-CE2 3.96Å; Y146-F157 HydrophobicContact CD2-CE2 3.96Å; Y146-F157 AromaticContact CD2-CZ 3.44Å; Y146-F157 HydrophobicContact CD2-CZ 3.44Å; Y146-F157 VanDerWaalsContact CD2-CZ 3.44Å; Y146-F157 HydrophobicContact CE1-CE2 4.37Å; Y146-F157 HydrophobicContact CE2-CE2 4.25Å; Y146-F157 AromaticContact CE2-CZ 3.88Å; Y146-F157 HydrophobicContact CE2-CZ 3.88Å; Y146-F157 AromaticContact CG-CE2 3.83Å; Y146-F157 HydrophobicContact CG-CE2 3.83Å; Y146-F157 AromaticContact CG-CZ 3.68Å; Y146-F157 HydrophobicContact CG-CZ 3.68Å; Y146-M158 HydrophobicContact CE1-CE 4.04Å; Y146-M158 HydrophobicContact CE2-CE 4.14Å; Y146-M158 VanDerWaalsContact OH-CE 3.26Å; Y146-M158 WeakPolarHBondContact OH-CE 3.45Å; Y146-F162 AromaticContact CD1-CE1 3.91Å; Y146-F162 HydrophobicContact CD1-CE1 3.91Å; Y146-F162 AromaticContact CD1-CZ 3.84Å; Y146-F162 HydrophobicContact CD1-CZ 3.84Å; Y146-F162 AromaticContact CE1-CE1 3.9Å; Y146-F162 HydrophobicContact CE1-CE1 3.9Å; Y146-F162 HydrophobicContact CE1-CZ 4.29Å; Y146-L166 HydrophobicContact CD1-CD2 4.07Å; Y146-L166 HydrophobicContact CE1-CD2 3.61Å; Y146-C209 VanDerWaalsContact CD2-O 3.28Å; Y146-C209 WeakPolarHBondContact CD2-O 3.5Å; Y146-N210 WeakPolarHBondContact CB-OD1 3.27Å; Y146-N210 WeakPolarHBondContact CD2-OD1 3.19Å; Y146-L212 HydrophobicContact CE1-CB 4.15Å; Y146-L212 WeakPolarHBondContact OH-CB 3.31Å; Y146-L212 PolarHBondContact OH-N 3.01Å
147P89.7Confident93.4Very high35 Ų3547.2 Ų47.223%0.22725%0.246CC..SBendtrans-71.4-28171.229.9-34.3000111.5F157 R254P147-F157 HydrophobicContact CG-CB 3.82Å; P147-F157 HydrophobicContact CG-CD1 3.61Å; P147-F157 HydrophobicContact CG-CD2 3.81Å; P147-F157 HydrophobicContact CG-CE1 4.09Å; P147-F157 HydrophobicContact CG-CE2 4.29Å; P147-F157 HydrophobicContact CG-CG 3.44Å; P147-F157 VanDerWaalsContact CG-CG 3.44Å; P147-F157 HydrophobicContact CG-CZ 4.43Å; P147-R254 PolarHBondContact O-NH1 2.96Å; P147-R254 PolarHBondContact O-NH2 3.38Å
148Y85.2Confident93.3Very high98 Ų9848.7 Ų48.738%0.38425%0.254SS..SBendtrans-145.1154.1179-51.5-75.5000110.8Y146 E150 F157 Y318Y146-Y148 VanDerWaalsContact C-N 3.31Å; Y146-Y148 WeakPolarHBondContact CB-O 3.43Å; Y148-E150 PolarHBondContact O-N 2.93Å; Y148-E150 VanDerWaalsContact O-N 3.14Å; Y148-F157 HydrophobicContact CD2-CD1 4.4Å; Y148-Y318 HydrophobicContact CD1-CD2 4.29Å; Y148-Y318 HydrophobicContact CD1-CG 4.06Å; Y148-Y318 HydrophobicContact CE1-CD1 4.31Å; Y148-Y318 AromaticContact CE1-CG 3.99Å; Y148-Y318 HydrophobicContact CE1-CG 3.99Å
149F85.9Confident93.2Very high47 Ų4752.6 Ų52.621%0.20628%0.275CS..  trans-78.492.1174.3-68.2-89.9000110C209 N210 Y307 A311 A314 R315F149-C209 HydrophobicContact CB-CB 4.12Å; F149-N210 WeakPolarHBondContact CD1-ND2 3.3Å; F149-N210 WeakPolarHBondContact CE1-ND2 3.2Å; F149-Y307 HydrophobicContact CD1-CE1 4.42Å; F149-Y307 WeakPolarHBondContact CE1-OH 3.47Å; F149-A311 HydrophobicContact CB-CB 3.77Å; F149-A311 HydrophobicContact CD1-CB 4.19Å; F149-A311 HydrophobicContact CG-CB 4.16Å; F149-A314 HydrophobicContact CD2-CB 3.56Å; F149-A314 HydrophobicContact CE2-CB 3.96Å; F149-A314 HydrophobicContact CG-CB 4.46Å; F149-R315 WeakPolarHBondContact O-CD 3.49Å; F149-R315 WeakPolarHBondContact O-CG 3.24Å; F149-R315 PolarHBondContact O-NE 3.08Å
150E86.7Confident93.1Very high41 Ų4158.5 Ų58.519%0.19231%0.305CS..  trans-130.1146.5-179.9-71.9179-134.700111.6Y148 A155 F157 C209 R315Y148-E150 PolarHBondContact O-N 2.93Å; Y148-E150 VanDerWaalsContact O-N 3.14Å; E150-A155 HydrophobicContact CB-CB 3.82Å; E150-A155 WeakPolarHBondContact OE2-CA 3.39Å; E150-F157 HydrophobicContact CB-CE1 4.23Å; E150-C209 PolarHBondContact N-O 3.4Å; E150-C209 CarbonylContact O-C 3.46Å; E150-C209 WeakPolarHBondContact O-CA 3.48Å; E150-R315 HydrophobicContact CG-CG 4.44Å
151N89.5Confident93Very high67 Ų6763.3 Ų63.336%0.35833%0.331SS..  trans-56.7143.8174.4-67-36000109.5A153 D154 A155N151-A153 VanDerWaalsContact C-N 3.28Å; N151-A153 PolarHBondContact O-N 3.18Å; N151-D154 HydrophobicContact CB-CB 4.29Å; N151-D154 WeakPolarHBondContact CB-OD2 3.18Å; N151-D154 PolarHBondContact ND2-OD2 3.41Å; N151-D154 PolarHBondContact O-N 3.46Å; N151-A155 WeakPolarHBondContact O-CB 3.3Å; N151-A155 PolarHBondContact O-N 2.75Å
152Y92.1Very high92.9Very high113 Ų11363.4 Ų63.444%0.44333%0.33SS..THydrogen-bonded Turntrans-54.2-42.7-174.7-173.3-94.5000113.4M158 S211 L212Y152-M158 HydrophobicContact CD2-CE 3.94Å; Y152-M158 HydrophobicContact CD2-SD 4.46Å; Y152-M158 HydrophobicContact CE2-CE 3.92Å; Y152-M158 HydrophobicContact CE2-CG 4.23Å; Y152-M158 HydrophobicContact CE2-SD 3.89Å; Y152-S211 WeakPolarHBondContact CD2-OG 3.48Å; Y152-L212 HydrophobicContact CE2-CB 4.36Å
153A93.1Very high92.9Very high95 Ų9564.4 Ų64.479%0.78533%0.334SS*.THydrogen-bonded Turntrans-72.4-25.5-179.500000114N151N151-A153 VanDerWaalsContact C-N 3.28Å; N151-A153 PolarHBondContact O-N 3.18Å
154D90.7Very high92.9Very high106 Ų10668.6 Ų68.657%0.56735%0.349SS*.THydrogen-bonded Turntrans-100.7-12.8-173.5-53.7-42.1000112.6N151 K156N151-D154 HydrophobicContact CB-CB 4.29Å; N151-D154 WeakPolarHBondContact CB-OD2 3.18Å; N151-D154 PolarHBondContact ND2-OD2 3.41Å; N151-D154 PolarHBondContact O-N 3.46Å; D154-K156 PolarHBondContact O-N 3.06Å; D154-K156 VanDerWaalsContact O-N 3.11Å
155A91.7Very high93Very high6 Ų669.2 Ų69.25%0.0535%0.353CS..  trans-68.4105.2-170.800000112.1E150 N151 F157 M158E150-A155 HydrophobicContact CB-CB 3.82Å; E150-A155 WeakPolarHBondContact OE2-CA 3.39Å; N151-A155 WeakPolarHBondContact O-CB 3.3Å; N151-A155 PolarHBondContact O-N 2.75Å; A155-F157 HydrophobicContact CB-CD1 4.18Å; A155-F157 HydrophobicContact CB-CE1 3.69Å; A155-F157 HydrophobicContact CB-CE2 4.41Å; A155-F157 HydrophobicContact CB-CZ 3.8Å; A155-F157 PolarHBondContact O-N 3Å; A155-F157 VanDerWaalsContact O-N 3.15Å; A155-M158 HydrophobicContact CB-CB 3.97Å; A155-M158 WeakPolarHBondContact O-CB 3.41Å; A155-M158 PolarHBondContact O-N 2.95Å
156K91.9Very high93.2Very high198 Ų19867.3 Ų67.386%0.86134%0.34SS*.THydrogen-bonded Turntrans-61.8-26.3-177.3-66.8-174.2179.1-177.70114.6D154 M158D154-K156 PolarHBondContact O-N 3.06Å; D154-K156 VanDerWaalsContact O-N 3.11Å; K156-M158 VanDerWaalsContact C-N 3.25Å
157F92.8Very high93.4Very high32 Ų3270 Ų7014%0.1435%0.354CS..THydrogen-bonded Turntrans-77.4-12.5175.865.2-94.1000112.7Y146 P147 Y148 E150 A155 N159 F162Y146-F157 HydrophobicContact CD1-CE2 4.05Å; Y146-F157 HydrophobicContact CD1-CZ 4.35Å; Y146-F157 AromaticContact CD2-CE2 3.96Å; Y146-F157 HydrophobicContact CD2-CE2 3.96Å; Y146-F157 AromaticContact CD2-CZ 3.44Å; Y146-F157 HydrophobicContact CD2-CZ 3.44Å; Y146-F157 VanDerWaalsContact CD2-CZ 3.44Å; Y146-F157 HydrophobicContact CE1-CE2 4.37Å; Y146-F157 HydrophobicContact CE2-CE2 4.25Å; Y146-F157 AromaticContact CE2-CZ 3.88Å; Y146-F157 HydrophobicContact CE2-CZ 3.88Å; Y146-F157 AromaticContact CG-CE2 3.83Å; Y146-F157 HydrophobicContact CG-CE2 3.83Å; Y146-F157 AromaticContact CG-CZ 3.68Å; Y146-F157 HydrophobicContact CG-CZ 3.68Å; P147-F157 HydrophobicContact CG-CB 3.82Å; P147-F157 HydrophobicContact CG-CD1 3.61Å; P147-F157 HydrophobicContact CG-CD2 3.81Å; P147-F157 HydrophobicContact CG-CE1 4.09Å; P147-F157 HydrophobicContact CG-CE2 4.29Å; P147-F157 HydrophobicContact CG-CG 3.44Å; P147-F157 VanDerWaalsContact CG-CG 3.44Å; P147-F157 HydrophobicContact CG-CZ 4.43Å; Y148-F157 HydrophobicContact CD2-CD1 4.4Å; E150-F157 HydrophobicContact CB-CE1 4.23Å; A155-F157 HydrophobicContact CB-CD1 4.18Å; A155-F157 HydrophobicContact CB-CE1 3.69Å; A155-F157 HydrophobicContact CB-CE2 4.41Å; A155-F157 HydrophobicContact CB-CZ 3.8Å; A155-F157 PolarHBondContact O-N 3Å; A155-F157 VanDerWaalsContact O-N 3.15Å; F157-N159 PolarHBondContact O-N 3.45Å; F157-F162 AromaticContact CD2-CD1 3.92Å; F157-F162 HydrophobicContact CD2-CD1 3.92Å; F157-F162 HydrophobicContact CD2-CD2 4.34Å; F157-F162 AromaticContact CD2-CE1 3.69Å; F157-F162 HydrophobicContact CD2-CE1 3.69Å; F157-F162 HydrophobicContact CD2-CE2 4.13Å; F157-F162 HydrophobicContact CD2-CG 4.24Å; F157-F162 AromaticContact CD2-CZ 3.81Å; F157-F162 HydrophobicContact CD2-CZ 3.81Å; F157-F162 HydrophobicContact CE2-CD1 4.14Å; F157-F162 AromaticContact CE2-CE1 3.53Å; F157-F162 HydrophobicContact CE2-CE1 3.53Å; F157-F162 AromaticContact CE2-CZ 3.76Å; F157-F162 HydrophobicContact CE2-CZ 3.76Å; F157-F162 WeakPolarHBondContact O-CB 3.25Å
158M95.5Very high93.8Very high32 Ų3269 Ų6916%0.15835%0.348CS..  trans-76.4114.2-179.5-163.362.263.600109.7Y146 Y152 A155 K156 F162 I163 L212Y146-M158 HydrophobicContact CE1-CE 4.04Å; Y146-M158 HydrophobicContact CE2-CE 4.14Å; Y146-M158 VanDerWaalsContact OH-CE 3.26Å; Y146-M158 WeakPolarHBondContact OH-CE 3.45Å; Y152-M158 HydrophobicContact CD2-CE 3.94Å; Y152-M158 HydrophobicContact CD2-SD 4.46Å; Y152-M158 HydrophobicContact CE2-CE 3.92Å; Y152-M158 HydrophobicContact CE2-CG 4.23Å; Y152-M158 HydrophobicContact CE2-SD 3.89Å; A155-M158 HydrophobicContact CB-CB 3.97Å; A155-M158 WeakPolarHBondContact O-CB 3.41Å; A155-M158 PolarHBondContact O-N 2.95Å; K156-M158 VanDerWaalsContact C-N 3.25Å; M158-F162 HydrophobicContact CE-CD1 4.19Å; M158-F162 HydrophobicContact CE-CE1 4.05Å; M158-F162 HydrophobicContact SD-CD1 3.81Å; M158-F162 HydrophobicContact SD-CE1 4.25Å; M158-I163 HydrophobicContact CG-CD1 4.23Å; M158-I163 HydrophobicContact CG-CG1 4.33Å; M158-I163 HydrophobicContact SD-CD1 3.98Å; M158-I163 HydrophobicContact SD-CG1 3.47Å; M158-I163 WeakPolarHBondContact SD-CG1 3.34Å; M158-L212 HydrophobicContact SD-CD2 4.5Å
159N95.9Very high94.5Very high81 Ų8164.6 Ų64.643%0.43333%0.331SS..SBendtrans-149174.1172.56054.2000108.9F157 N161 F162 I163F157-N159 PolarHBondContact O-N 3.45Å; N159-N161 VanDerWaalsContact C-N 3.29Å; N159-N161 PolarHBondContact O-N 3.42Å; N159-N161 WeakPolarHBondContact OD1-CB 3.42Å; N159-N161 PolarHBondContact OD1-N 3.15Å; N159-N161 VanDerWaalsContact OD1-N 3.13Å; N159-F162 PolarHBondContact O-N 3.18Å; N159-F162 PolarHBondContact OD1-N 3.23Å; N159-I163 VanDerWaalsContact O-CG1 3.31Å; N159-I163 WeakPolarHBondContact O-CG1 3.38Å; N159-I163 PolarHBondContact O-N 3.44Å
160I97Very high95.1Very high124 Ų12462.3 Ų62.364%0.63632%0.321SS*.Hα-helixtrans-54.6-45.2-176.8-65.7172.7000111.4I163 Q164I160-I163 PolarHBondContact O-N 3.41Å; I160-Q164 HydrophobicContact CG2-CG 4.4Å; I160-Q164 WeakPolarHBondContact O-CG 3.4Å; I160-Q164 PolarHBondContact O-N 3.26Å
161N97.3Very high95.6Very high104 Ų10461.3 Ų61.356%0.55632%0.318SS*.Hα-helixtrans-64.2-47.1-179-62-11000111.4N159 I163 Q164 D165N159-N161 VanDerWaalsContact C-N 3.29Å; N159-N161 PolarHBondContact O-N 3.42Å; N159-N161 WeakPolarHBondContact OD1-CB 3.42Å; N159-N161 PolarHBondContact OD1-N 3.15Å; N159-N161 VanDerWaalsContact OD1-N 3.13Å; N161-I163 VanDerWaalsContact C-N 3.3Å; N161-I163 PolarHBondContact O-N 3.14Å; N161-Q164 PolarHBondContact O-N 2.96Å; N161-D165 WeakPolarHBondContact O-CB 3.26Å; N161-D165 PolarHBondContact O-N 3.5Å
162F97Very high96.1Very high26 Ų2660.9 Ų60.911%0.11431%0.314CS..Hα-helixtrans-61.4-39.2177.7179.8-94.7000112.3M144 Y146 F157 M158 N159 L166M144-F162 HydrophobicContact CE-CE2 4.37Å; Y146-F162 AromaticContact CD1-CE1 3.91Å; Y146-F162 HydrophobicContact CD1-CE1 3.91Å; Y146-F162 AromaticContact CD1-CZ 3.84Å; Y146-F162 HydrophobicContact CD1-CZ 3.84Å; Y146-F162 AromaticContact CE1-CE1 3.9Å; Y146-F162 HydrophobicContact CE1-CE1 3.9Å; Y146-F162 HydrophobicContact CE1-CZ 4.29Å; F157-F162 AromaticContact CD2-CD1 3.92Å; F157-F162 HydrophobicContact CD2-CD1 3.92Å; F157-F162 HydrophobicContact CD2-CD2 4.34Å; F157-F162 AromaticContact CD2-CE1 3.69Å; F157-F162 HydrophobicContact CD2-CE1 3.69Å; F157-F162 HydrophobicContact CD2-CE2 4.13Å; F157-F162 HydrophobicContact CD2-CG 4.24Å; F157-F162 AromaticContact CD2-CZ 3.81Å; F157-F162 HydrophobicContact CD2-CZ 3.81Å; F157-F162 HydrophobicContact CE2-CD1 4.14Å; F157-F162 AromaticContact CE2-CE1 3.53Å; F157-F162 HydrophobicContact CE2-CE1 3.53Å; F157-F162 AromaticContact CE2-CZ 3.76Å; F157-F162 HydrophobicContact CE2-CZ 3.76Å; F157-F162 WeakPolarHBondContact O-CB 3.25Å; M158-F162 HydrophobicContact CE-CD1 4.19Å; M158-F162 HydrophobicContact CE-CE1 4.05Å; M158-F162 HydrophobicContact SD-CD1 3.81Å; M158-F162 HydrophobicContact SD-CE1 4.25Å; N159-F162 PolarHBondContact O-N 3.18Å; N159-F162 PolarHBondContact OD1-N 3.23Å; F162-L166 HydrophobicContact CE1-CB 4.46Å; F162-L166 HydrophobicContact CE1-CD2 3.9Å; F162-L166 HydrophobicContact CZ-CD2 4.2Å; F162-L166 WeakPolarHBondContact O-CB 3.37Å; F162-L166 PolarHBondContact O-N 3.45Å
163I97.6Very high96.4Very high43 Ų4355.6 Ų55.622%0.22129%0.293CS..Hα-helixtrans-62.5-48.6176.3-68.2166.7000110.1M158 N159 I160 N161 L166 I167 L212M158-I163 HydrophobicContact CG-CD1 4.23Å; M158-I163 HydrophobicContact CG-CG1 4.33Å; M158-I163 HydrophobicContact SD-CD1 3.98Å; M158-I163 HydrophobicContact SD-CG1 3.47Å; M158-I163 WeakPolarHBondContact SD-CG1 3.34Å; N159-I163 VanDerWaalsContact O-CG1 3.31Å; N159-I163 WeakPolarHBondContact O-CG1 3.38Å; N159-I163 PolarHBondContact O-N 3.44Å; I160-I163 PolarHBondContact O-N 3.41Å; N161-I163 VanDerWaalsContact C-N 3.3Å; N161-I163 PolarHBondContact O-N 3.14Å; I163-L166 PolarHBondContact O-N 3.4Å; I163-I167 HydrophobicContact CG2-CD1 3.81Å; I163-I167 WeakPolarHBondContact O-CB 3.19Å; I163-I167 VanDerWaalsContact O-CG1 3.28Å; I163-I167 WeakPolarHBondContact O-CG1 3.21Å; I163-I167 PolarHBondContact O-N 3.43Å; I163-L212 HydrophobicContact CB-CD2 4.23Å; I163-L212 HydrophobicContact CG1-CD2 3.98Å; I163-L212 HydrophobicContact CG2-CD2 3.99Å
164Q97.9Very high96.6Very high106 Ų10651.1 Ų51.150%0.49526%0.256SS..Hα-helixtrans-61.9-47.7178.4-73.7173.1-29.100111.7I160 N161 L166 I167 S168I160-Q164 HydrophobicContact CG2-CG 4.4Å; I160-Q164 WeakPolarHBondContact O-CG 3.4Å; I160-Q164 PolarHBondContact O-N 3.26Å; N161-Q164 PolarHBondContact O-N 2.96Å; Q164-L166 PolarHBondContact O-N 3.01Å; Q164-I167 PolarHBondContact O-N 3.17Å; Q164-S168 VanDerWaalsContact O-CB 3.27Å; Q164-S168 WeakPolarHBondContact O-CB 3.44Å; Q164-S168 PolarHBondContact O-N 2.94Å; Q164-S168 PolarHBondContact O-OG 2.69Å
165D98.2Very high97Very high49 Ų4947.5 Ų47.526%0.26224%0.241SC..Hα-helixtrans-61.3-45.6179.3-71.4-12000111.4T117 M144 N161 S168 C169T117-D165 HydrophobicContact CG2-CB 3.76Å; M144-D165 HydrophobicContact CE-CB 3.81Å; M144-D165 HydrophobicContact SD-CB 4.02Å; N161-D165 WeakPolarHBondContact O-CB 3.26Å; N161-D165 PolarHBondContact O-N 3.5Å; D165-S168 PolarHBondContact O-N 2.95Å; D165-C169 WeakPolarHBondContact O-CB 3.42Å; D165-C169 PolarHBondContact O-N 3.19Å
166L98Very high97.3Very high0 Ų048.6 Ų48.60%025%0.247CC..Hα-helixtrans-64.7-43-179.1-176.265.6000111.6M144 Y146 F162 I163 Q164 N170 L212 T216M144-L166 HydrophobicContact CB-CD1 3.67Å; M144-L166 VanDerWaalsContact O-CD1 3.26Å; M144-L166 WeakPolarHBondContact O-CD1 3.32Å; Y146-L166 HydrophobicContact CD1-CD2 4.07Å; Y146-L166 HydrophobicContact CE1-CD2 3.61Å; F162-L166 HydrophobicContact CE1-CB 4.46Å; F162-L166 HydrophobicContact CE1-CD2 3.9Å; F162-L166 HydrophobicContact CZ-CD2 4.2Å; F162-L166 WeakPolarHBondContact O-CB 3.37Å; F162-L166 PolarHBondContact O-N 3.45Å; I163-L166 PolarHBondContact O-N 3.4Å; Q164-L166 PolarHBondContact O-N 3.01Å; L166-N170 WeakPolarHBondContact CD1-ND2 3.26Å; L166-N170 WeakPolarHBondContact O-CB 3.08Å; L166-N170 PolarHBondContact O-N 2.93Å; L166-L212 HydrophobicContact CD2-CB 4.12Å; L166-L212 HydrophobicContact CD2-CD2 3.87Å; L166-L212 HydrophobicContact CD2-CG 3.79Å; L166-T216 HydrophobicContact CG-CG2 4.35Å
167I98.4Very high97.7Very high67 Ų6739.2 Ų39.234%0.34421%0.206SC..Hα-helixtrans-67-50.1176.7-67.9170.7000109.7I163 Q164 C169 N170 T171 Q172 L212 T216I163-I167 HydrophobicContact CG2-CD1 3.81Å; I163-I167 WeakPolarHBondContact O-CB 3.19Å; I163-I167 VanDerWaalsContact O-CG1 3.28Å; I163-I167 WeakPolarHBondContact O-CG1 3.21Å; I163-I167 PolarHBondContact O-N 3.43Å; Q164-I167 PolarHBondContact O-N 3.17Å; I167-C169 VanDerWaalsContact C-N 3.35Å; I167-C169 PolarHBondContact O-N 3.48Å; I167-N170 PolarHBondContact O-N 3.4Å; I167-T171 WeakPolarHBondContact CG2-OG1 3.36Å; I167-T171 PolarHBondContact O-N 3.38Å; I167-T171 PolarHBondContact O-OG1 2.91Å; I167-Q172 PolarHBondContact O-N 3.34Å; I167-L212 HydrophobicContact CD1-CD1 4.36Å; I167-L212 HydrophobicContact CG1-CD1 4.35Å; I167-T216 HydrophobicContact CG1-CG2 4.38Å
168S98.2Very high97.9Very high14 Ų1437.9 Ų37.910%0.09820%0.201CC..Iπ-helixtrans-57.8-48.5-179.5-54.40000111.3F116 Q164 D165 Q172 S173F116-S168 CarbonylContact O-C 3.56Å; F116-S168 VanDerWaalsContact O-C 3.29Å; Q164-S168 VanDerWaalsContact O-CB 3.27Å; Q164-S168 WeakPolarHBondContact O-CB 3.44Å; Q164-S168 PolarHBondContact O-N 2.94Å; Q164-S168 PolarHBondContact O-OG 2.69Å; D165-S168 PolarHBondContact O-N 2.95Å; S168-Q172 WeakPolarHBondContact O-CB 3.42Å; S168-Q172 PolarHBondContact O-N 2.86Å; S168-S173 PolarHBondContact O-N 3.25Å
169C98.5Very high98.1Very high5 Ų544.5 Ų44.53%0.03423%0.225CC..Iπ-helixtrans-71.3-34.4-176.9-169.50000113.3F116 T117 M144 D165 I167 S173F116-C169 HydrophobicContact CB-CB 4.5Å; F116-C169 VanDerWaalsContact O-CA 3.29Å; F116-C169 WeakPolarHBondContact O-CA 3.28Å; F116-C169 PolarHBondContact O-N 3.29Å; T117-C169 HydrophobicContact CG2-CB 4.36Å; M144-C169 HydrophobicContact CG-CB 4.06Å; M144-C169 HydrophobicContact SD-CB 3.76Å; D165-C169 WeakPolarHBondContact O-CB 3.42Å; D165-C169 PolarHBondContact O-N 3.19Å; I167-C169 VanDerWaalsContact C-N 3.35Å; I167-C169 PolarHBondContact O-N 3.48Å; C169-S173 VanDerWaalsContact O-CB 3.31Å; C169-S173 WeakPolarHBondContact O-CB 3.29Å; C169-S173 PolarHBondContact O-OG 2.78Å
170N98.5Very high98.2Very high0 Ų042.8 Ų42.80%022%0.216CC..Iπ-helixtrans-95.5-32.3-176.3-69.33.8000114.4G143 M144 L166 I167 V174 T216 I220G143-N170 WeakPolarHBondContact CA-OD1 3.47Å; M144-N170 PolarHBondContact N-OD1 3.02Å; M144-N170 PolarHBondContact O-ND2 3.24Å; M144-N170 PolarHBondContact O-OD1 2.86Å; L166-N170 WeakPolarHBondContact CD1-ND2 3.26Å; L166-N170 WeakPolarHBondContact O-CB 3.08Å; L166-N170 PolarHBondContact O-N 2.93Å; I167-N170 PolarHBondContact O-N 3.4Å; N170-V174 WeakPolarHBondContact O-CG2 3.48Å; N170-T216 HydrophobicContact CB-CG2 4.09Å; N170-T216 WeakPolarHBondContact CB-OG1 3.46Å; N170-T216 PolarHBondContact ND2-OG1 3.23Å; N170-I220 WeakPolarHBondContact O-CD1 3.25Å
171T98.6Very high98.3Very high19 Ų1936.9 Ų36.912%0.11719%0.185CC..Iπ-helixtrans-109.7-53.5-174.267.20000111.9I167 S173 V174 A175 T216 F219I167-T171 WeakPolarHBondContact CG2-OG1 3.36Å; I167-T171 PolarHBondContact O-N 3.38Å; I167-T171 PolarHBondContact O-OG1 2.91Å; T171-S173 VanDerWaalsContact C-N 3.33Å; T171-S173 PolarHBondContact O-N 3.05Å; T171-V174 PolarHBondContact O-N 3.03Å; T171-A175 PolarHBondContact O-N 2.94Å; T171-A175 VanDerWaalsContact O-N 3.12Å; T171-T216 HydrophobicContact CG2-CG2 3.87Å; T171-F219 VanDerWaalsContact CB-CD1 3.47Å; T171-F219 HydrophobicContact CG2-CB 3.86Å; T171-F219 HydrophobicContact CG2-CD1 3.64Å; T171-F219 HydrophobicContact CG2-CE1 4.36Å; T171-F219 HydrophobicContact CG2-CG 3.76Å; T171-F219 WeakPolarHBondContact O-CE1 3.26Å
172Q98.4Very high98.3Very high59 Ų5933.1 Ų33.128%0.27617%0.165SC..Iπ-helixtrans-65.3-38.7-176.9-176.5-178.2-26.500111.7N119 I167 S168 V174 A175 T176N119-Q172 PolarHBondContact OD1-NE2 3.35Å; N119-Q172 PolarHBondContact OD1-OE1 2.87Å; I167-Q172 PolarHBondContact O-N 3.34Å; S168-Q172 WeakPolarHBondContact O-CB 3.42Å; S168-Q172 PolarHBondContact O-N 2.86Å; Q172-V174 VanDerWaalsContact C-N 3.34Å; Q172-V174 PolarHBondContact O-N 3.21Å; Q172-A175 PolarHBondContact O-N 3.34Å; Q172-T176 VanDerWaalsContact O-CB 3.29Å; Q172-T176 WeakPolarHBondContact O-CB 3.49Å; Q172-T176 PolarHBondContact O-N 2.75Å; Q172-T176 PolarHBondContact O-OG1 3.12Å
173S98.6Very high98.2Very high1 Ų134.7 Ų34.71%0.00718%0.178CC..Hα-helixtrans-52.8-49.4173.968.90000112.4F116 Y122 S168 C169 T171 M177F116-S173 VanDerWaalsContact CD1-CB 3.43Å; Y122-S173 WeakPolarHBondContact OH-CA 3.22Å; Y122-S173 PolarHBondContact OH-N 3.34Å; S168-S173 PolarHBondContact O-N 3.25Å; C169-S173 VanDerWaalsContact O-CB 3.31Å; C169-S173 WeakPolarHBondContact O-CB 3.29Å; C169-S173 PolarHBondContact O-OG 2.78Å; T171-S173 VanDerWaalsContact C-N 3.33Å; T171-S173 PolarHBondContact O-N 3.05Å; S173-M177 WeakPolarHBondContact O-CB 3.35Å; S173-M177 WeakPolarHBondContact O-CG 3.32Å; S173-M177 PolarHBondContact O-N 3.23Å
174V98.6Very high98.1Very high2 Ų235.1 Ų35.11%0.01218%0.178CC..Hα-helixtrans-64.5-50-179.4179.90000110.4N140 N170 T171 Q172 T176 T178 I220 F223N140-V174 HydrophobicContact CB-CG1 4.4Å; N140-V174 HydrophobicContact CB-CG2 4.24Å; N170-V174 WeakPolarHBondContact O-CG2 3.48Å; T171-V174 PolarHBondContact O-N 3.03Å; Q172-V174 VanDerWaalsContact C-N 3.34Å; Q172-V174 PolarHBondContact O-N 3.21Å; V174-T176 PolarHBondContact O-N 2.88Å; V174-T178 VanDerWaalsContact O-CB 3.25Å; V174-T178 WeakPolarHBondContact O-CB 3.39Å; V174-T178 PolarHBondContact O-N 2.75Å; V174-T178 PolarHBondContact O-OG1 2.74Å; V174-T178 VanDerWaalsContact O-OG1 3.06Å; V174-I220 HydrophobicContact CG2-CD1 3.97Å; V174-I220 HydrophobicContact CG2-CG1 4.04Å; V174-F223 HydrophobicContact CG1-CD1 4.05Å; V174-F223 HydrophobicContact CG1-CE1 4.15Å
175A98.6Very high98Very high30 Ų3030 Ų3025%0.24815%0.154CC..Hα-helixtrans-60-46.1-179.700000111.9T171 Q172 Y179 F219 F223T171-A175 PolarHBondContact O-N 2.94Å; T171-A175 VanDerWaalsContact O-N 3.12Å; Q172-A175 PolarHBondContact O-N 3.34Å; A175-Y179 WeakPolarHBondContact O-CB 3.15Å; A175-Y179 PolarHBondContact O-N 3.38Å; A175-F219 HydrophobicContact CB-CZ 4.34Å; A175-F223 HydrophobicContact CB-CZ 4.33Å
176T98.6Very high97.8Very high29 Ų2931 Ų3118%0.17816%0.159CC..Hα-helixtrans-74.3-42.5-175.2-47.30000111.9Y122 Q172 V174 T178 Y179 L180Y122-T176 HydrophobicContact CD1-CG2 3.33Å; Y122-T176 HydrophobicContact CD2-CG2 3.98Å; Y122-T176 HydrophobicContact CE1-CG2 3.71Å; Y122-T176 HydrophobicContact CE2-CG2 4.32Å; Y122-T176 HydrophobicContact CG-CG2 3.47Å; Y122-T176 VanDerWaalsContact CG-CG2 3.47Å; Q172-T176 VanDerWaalsContact O-CB 3.29Å; Q172-T176 WeakPolarHBondContact O-CB 3.49Å; Q172-T176 PolarHBondContact O-N 2.75Å; Q172-T176 PolarHBondContact O-OG1 3.12Å; V174-T176 PolarHBondContact O-N 2.88Å; T176-T178 VanDerWaalsContact C-N 3.32Å; T176-T178 PolarHBondContact O-N 3.47Å; T176-Y179 WeakPolarHBondContact O-CB 3.46Å; T176-Y179 PolarHBondContact O-N 3.3Å; T176-L180 HydrophobicContact CG2-CD1 4.41Å; T176-L180 WeakPolarHBondContact O-CG 3.19Å; T176-L180 PolarHBondContact O-N 3.3Å
177M98.8Very high97.6Very high0 Ų039.4 Ų39.40%020%0.196CC..Hα-helixtrans-64.1-39.5175.6-70.8-60.8-5800111.5I61 T63 I87 F116 I125 I129 L138 N140 S173 L180 V181I61-M177 HydrophobicContact CG2-CE 4.13Å; T63-M177 HydrophobicContact CG2-CE 4.05Å; T63-M177 HydrophobicContact CG2-CG 4.19Å; I87-M177 HydrophobicContact CD1-CE 3.84Å; F116-M177 HydrophobicContact CE1-CG 3.85Å; F116-M177 HydrophobicContact CE1-SD 3.96Å; F116-M177 HydrophobicContact CZ-CG 4.3Å; F116-M177 HydrophobicContact CZ-SD 4.15Å; I125-M177 HydrophobicContact CD1-SD 4.45Å; I125-M177 HydrophobicContact CG2-CE 4Å; I125-M177 HydrophobicContact CG2-SD 3.77Å; I129-M177 HydrophobicContact CD1-CE 3.88Å; L138-M177 HydrophobicContact CD1-CE 4.07Å; L138-M177 HydrophobicContact CD2-CB 4.1Å; N140-M177 VanDerWaalsContact OD1-CB 3.25Å; N140-M177 WeakPolarHBondContact OD1-CB 3.43Å; S173-M177 WeakPolarHBondContact O-CB 3.35Å; S173-M177 WeakPolarHBondContact O-CG 3.32Å; S173-M177 PolarHBondContact O-N 3.23Å; M177-L180 PolarHBondContact O-N 3.01Å; M177-L180 HydrophobicContact SD-CD1 4.43Å; M177-V181 WeakPolarHBondContact O-CB 3.21Å; M177-V181 WeakPolarHBondContact O-CG2 3.27Å; M177-V181 PolarHBondContact O-N 3.37Å
178T98.6Very high97.4Very high4 Ų437.2 Ų37.23%0.02518%0.184CC..Hα-helixtrans-62.6-44172.4-68.40000111.2N140 V174 T176 L180 V181 L182 I195 F223 I227N140-T178 PolarHBondContact ND2-OG1 3Å; V174-T178 VanDerWaalsContact O-CB 3.25Å; V174-T178 WeakPolarHBondContact O-CB 3.39Å; V174-T178 PolarHBondContact O-N 2.75Å; V174-T178 PolarHBondContact O-OG1 2.74Å; V174-T178 VanDerWaalsContact O-OG1 3.06Å; T176-T178 VanDerWaalsContact C-N 3.32Å; T176-T178 PolarHBondContact O-N 3.47Å; T178-L180 VanDerWaalsContact C-N 3.34Å; T178-L180 PolarHBondContact O-N 3.36Å; T178-V181 PolarHBondContact O-N 3.38Å; T178-L182 HydrophobicContact CG2-CB 4.28Å; T178-L182 HydrophobicContact CG2-CD2 4.31Å; T178-L182 WeakPolarHBondContact O-CB 3.43Å; T178-L182 PolarHBondContact O-N 2.98Å; T178-I195 HydrophobicContact CG2-CD1 3.96Å; T178-F223 HydrophobicContact CG2-CE1 4.18Å; T178-F223 HydrophobicContact CG2-CZ 4.15Å; T178-I227 HydrophobicContact CG2-CD1 3.97Å
179Y98.2Very high97Very high172 Ų17245.7 Ų45.768%0.67522%0.222SC*.Hα-helixtrans-58.9-41.1174.8170.7-99.7000113.1A175 T176 P183A175-Y179 WeakPolarHBondContact O-CB 3.15Å; A175-Y179 PolarHBondContact O-N 3.38Å; T176-Y179 WeakPolarHBondContact O-CB 3.46Å; T176-Y179 PolarHBondContact O-N 3.3Å; Y179-P183 WeakPolarHBondContact O-CD 3.15Å; Y179-P183 WeakPolarHBondContact O-CG 3.39Å
180L98.4Very high96.7Very high44 Ų4450.3 Ų50.323%0.2324%0.241CC..Hα-helixtrans-70.2-36.8179.4-69.4173.9000112.9Y122 I125 I129 T176 M177 T178Y122-L180 HydrophobicContact CD1-CD1 4.37Å; I125-L180 HydrophobicContact CG2-CD1 4.22Å; I129-L180 HydrophobicContact CD1-CB 4.07Å; I129-L180 HydrophobicContact CD1-CD1 4.36Å; T176-L180 HydrophobicContact CG2-CD1 4.41Å; T176-L180 WeakPolarHBondContact O-CG 3.19Å; T176-L180 PolarHBondContact O-N 3.3Å; M177-L180 PolarHBondContact O-N 3.01Å; M177-L180 HydrophobicContact SD-CD1 4.43Å; T178-L180 VanDerWaalsContact C-N 3.34Å; T178-L180 PolarHBondContact O-N 3.36Å
181V98.5Very high96.4Very high0 Ų054 Ų540%026%0.261CS..Hα-helixtrans-94.8-40.1-171.9176.20000113I61 I129 I135 L138 M177 T178 K184 L185I61-V181 HydrophobicContact CD1-CG2 3.76Å; I129-V181 HydrophobicContact CD1-CG2 3.81Å; I129-V181 HydrophobicContact CG2-CG2 4.16Å; I135-V181 HydrophobicContact CD1-CG1 4.04Å; I135-V181 HydrophobicContact CG2-CG1 4.25Å; L138-V181 HydrophobicContact CB-CG1 4.09Å; L138-V181 HydrophobicContact CD1-CG2 4.43Å; L138-V181 HydrophobicContact CD2-CB 3.94Å; L138-V181 HydrophobicContact CD2-CG1 4.36Å; L138-V181 HydrophobicContact CD2-CG2 3.96Å; M177-V181 WeakPolarHBondContact O-CB 3.21Å; M177-V181 WeakPolarHBondContact O-CG2 3.27Å; M177-V181 PolarHBondContact O-N 3.37Å; T178-V181 PolarHBondContact O-N 3.38Å; V181-K184 WeakPolarHBondContact O-CB 3.47Å; V181-K184 PolarHBondContact O-N 3.29Å; V181-L185 HydrophobicContact CG1-CD1 3.87Å; V181-L185 HydrophobicContact CG1-CD2 4.28Å; V181-L185 HydrophobicContact CG1-CG 3.8Å; V181-L185 PolarHBondContact O-N 3.31Å; V181-L185 VanDerWaalsContact O-N 3.08Å
182L97Very high96Very high25 Ų2554.9 Ų54.913%0.13127%0.265CS..Hα-helixtrans-57.1-44.9-171.4178.461.6000113.4T178 K184 L185 L186 I195 L231 V238T178-L182 HydrophobicContact CG2-CB 4.28Å; T178-L182 HydrophobicContact CG2-CD2 4.31Å; T178-L182 WeakPolarHBondContact O-CB 3.43Å; T178-L182 PolarHBondContact O-N 2.98Å; L182-K184 PolarHBondContact O-N 3.2Å; L182-L185 PolarHBondContact O-N 2.89Å; L182-L185 VanDerWaalsContact O-N 3.16Å; L182-L186 HydrophobicContact CD1-CD1 4.1Å; L182-L186 HydrophobicContact CD1-CD2 4.49Å; L182-L186 HydrophobicContact CD1-CG 4Å; L182-L186 HydrophobicContact CG-CD1 3.98Å; L182-L186 HydrophobicContact CG-CG 4.33Å; L182-L186 WeakPolarHBondContact O-CG 3.21Å; L182-L186 PolarHBondContact O-N 3.2Å; L182-I195 HydrophobicContact CB-CD1 4.05Å; L182-I195 HydrophobicContact CD1-CD1 3.97Å; L182-L231 HydrophobicContact CD1-CD1 4.02Å; L182-L231 HydrophobicContact CD1-CD2 4.27Å; L182-V238 HydrophobicContact CD1-CB 4.4Å; L182-V238 HydrophobicContact CD1-CG1 4.1Å; L182-V238 HydrophobicContact CD1-CG2 4.17Å
183P95.5Very high95.9Very high59 Ų5952 Ų5238%0.38325%0.252SS..Hα-helixtrans-58.7-34.8176.5-25.635.9000113.3Y179 K187Y179-P183 WeakPolarHBondContact O-CD 3.15Å; Y179-P183 WeakPolarHBondContact O-CG 3.39Å; P183-K187 VanDerWaalsContact O-CG 3.27Å; P183-K187 WeakPolarHBondContact O-CG 3.4Å; P183-K187 PolarHBondContact O-N 3.39Å; P183-K187 VanDerWaalsContact O-N 3.13Å
184K95.8Very high95.9Very high52 Ų5252 Ų5223%0.22625%0.252CS..Hα-helixtrans-70.5-43.4177.1-171.9169.817099.30110.8I129 A130 L132 I135 V181 L182 L186 K187 Q188I129-K184 HydrophobicContact CG2-CD 4.45Å; A130-K184 PolarHBondContact O-NZ 2.9Å; A130-K184 VanDerWaalsContact O-NZ 3.08Å; L132-K184 WeakPolarHBondContact O-CE 3.06Å; L132-K184 PolarHBondContact O-NZ 2.93Å; I135-K184 HydrophobicContact CD1-CD 3.7Å; I135-K184 HydrophobicContact CD1-CG 4.31Å; I135-K184 HydrophobicContact CG1-CD 4.49Å; V181-K184 WeakPolarHBondContact O-CB 3.47Å; V181-K184 PolarHBondContact O-N 3.29Å; L182-K184 PolarHBondContact O-N 3.2Å; K184-L186 VanDerWaalsContact C-N 3.3Å; K184-L186 PolarHBondContact O-N 2.68Å; K184-K187 PolarHBondContact O-N 3.04Å; K184-K187 VanDerWaalsContact O-N 3.17Å; K184-Q188 WeakPolarHBondContact O-CG 3.46Å; K184-Q188 PolarHBondContact O-N 2.79Å; K184-Q188 VanDerWaalsContact O-N 3.1Å
185L96.1Very high95.9Very high0 Ų051.9 Ų51.90%025%0.251CS..Hα-helixtrans-59.1-40.6174-62.5-176.7000112.3I135 V181 L182 K187 Q188 I195 V238I135-L185 HydrophobicContact CB-CD2 3.68Å; I135-L185 HydrophobicContact CG2-CD2 3.79Å; I135-L185 VanDerWaalsContact O-CD2 3.26Å; I135-L185 WeakPolarHBondContact O-CD2 3.28Å; V181-L185 HydrophobicContact CG1-CD1 3.87Å; V181-L185 HydrophobicContact CG1-CD2 4.28Å; V181-L185 HydrophobicContact CG1-CG 3.8Å; V181-L185 PolarHBondContact O-N 3.31Å; V181-L185 VanDerWaalsContact O-N 3.08Å; L182-L185 PolarHBondContact O-N 2.89Å; L182-L185 VanDerWaalsContact O-N 3.16Å; L185-K187 VanDerWaalsContact C-N 3.32Å; L185-K187 PolarHBondContact O-N 3.43Å; L185-Q188 PolarHBondContact O-N 3.32Å; L185-I195 HydrophobicContact CD1-CD1 4.12Å; L185-I195 HydrophobicContact CD1-CG1 3.75Å; L185-V238 HydrophobicContact CB-CG2 3.75Å; L185-V238 HydrophobicContact CD1-CG1 3.87Å
186L94.2Very high95.9Very high68 Ų6850.5 Ų50.536%0.35624%0.239SC..Hα-helixtrans-71.2-24.5178.1-68.5174.9000113.8L182 K184 L231 K237 V238L182-L186 HydrophobicContact CD1-CD1 4.1Å; L182-L186 HydrophobicContact CD1-CD2 4.49Å; L182-L186 HydrophobicContact CD1-CG 4Å; L182-L186 HydrophobicContact CG-CD1 3.98Å; L182-L186 HydrophobicContact CG-CG 4.33Å; L182-L186 WeakPolarHBondContact O-CG 3.21Å; L182-L186 PolarHBondContact O-N 3.2Å; K184-L186 VanDerWaalsContact C-N 3.3Å; K184-L186 PolarHBondContact O-N 2.68Å; L186-L231 HydrophobicContact CD1-CD2 4.16Å; L186-L231 HydrophobicContact CD2-CD2 3.85Å; L186-K237 HydrophobicContact CD2-CD 4.48Å; L186-K237 WeakPolarHBondContact O-CE 3.19Å; L186-K237 PolarHBondContact O-NZ 3.4Å; L186-V238 HydrophobicContact CD2-CG2 3.77Å; L186-V238 HydrophobicContact CG-CG2 4.33Å
187K93.9Very high95.9Very high178 Ų17849.1 Ų49.177%0.77423%0.231SC*.Hα-helixtrans-87.6-19.4177-73.3174.1-177.3-178.10113.6P183 K184 L185P183-K187 VanDerWaalsContact O-CG 3.27Å; P183-K187 WeakPolarHBondContact O-CG 3.4Å; P183-K187 PolarHBondContact O-N 3.39Å; P183-K187 VanDerWaalsContact O-N 3.13Å; K184-K187 PolarHBondContact O-N 3.04Å; K184-K187 VanDerWaalsContact O-N 3.17Å; L185-K187 VanDerWaalsContact C-N 3.32Å; L185-K187 PolarHBondContact O-N 3.43Å
188Q93Very high95.9Very high21 Ų2149.5 Ų49.510%0.09823%0.233CC..SBendtrans-61.1144.9176-78169.4-159.100111.4S56 I135 K184 L185 K190 K237S56-Q188 PolarHBondContact O-NE2 2.87Å; I135-Q188 PolarHBondContact O-NE2 2.83Å; I135-Q188 PolarHBondContact O-OE1 3.48Å; K184-Q188 WeakPolarHBondContact O-CG 3.46Å; K184-Q188 PolarHBondContact O-N 2.79Å; K184-Q188 VanDerWaalsContact O-N 3.1Å; L185-Q188 PolarHBondContact O-N 3.32Å; Q188-K190 VanDerWaalsContact C-N 3.32Å; Q188-K237 WeakPolarHBondContact O-CE 3.22Å; Q188-K237 PolarHBondContact O-NZ 2.92Å
189E91.1Very high95.8Very high191 Ų19149.4 Ų49.489%0.89323%0.233SC*.SBendtrans-70-33175.4-63.8-178.7167.600112
190K91.9Very high95.8Very high102 Ų10241.8 Ų41.844%0.44321%0.205SC..  trans-76.4141.1-178.3-68165.8164.2-174.50111.5Y55 S56 Q188Y55-K190 WeakPolarHBondContact O-CD 3.41Å; S56-K190 WeakPolarHBondContact O-CB 3.44Å; Q188-K190 VanDerWaalsContact C-N 3.32Å
191N91Very high95.7Very high77 Ų7740.3 Ų40.341%0.41220%0.197SC..  trans-100174.3176.9-64.8-34.4000111.8S56 S193S56-N191 WeakPolarHBondContact CB-O 3.27Å; S56-N191 PolarHBondContact OG-O 3.12Å; N191-S193 VanDerWaalsContact C-N 3.33Å
192N91.4Very high95.4Very high38 Ų3842 Ų4220%0.20321%0.205CC..  trans67.622.9-179.9-50.6-75.8000115.6N52 S56 N236 K237N52-N192 HydrophobicContact CB-CB 4.24Å; S56-N192 PolarHBondContact OG-O 2.83Å; S56-N192 VanDerWaalsContact OG-O 3.08Å; N192-N236 VanDerWaalsContact CA-O 3.32Å; N192-N236 WeakPolarHBondContact CA-O 3.34Å; N192-N236 PolarHBondContact N-O 3.34Å; N192-K237 PolarHBondContact N-O 3.46Å
193S96.6Very high95.4Very high0 Ų041.4 Ų41.40%021%0.205CC..EExtended strand (participates in β ladder)trans-65163.8164.966.40000110.6A136 N191 K237 V238 I239A136-S193 CarbonylContact O-C 3.32Å; A136-S193 WeakPolarHBondContact O-CA 3.27Å; A136-S193 WeakPolarHBondContact O-CB 3.44Å; N191-S193 VanDerWaalsContact C-N 3.33Å; S193-K237 PolarHBondContact N-O 2.93Å; S193-K237 VanDerWaalsContact N-O 3.13Å; S193-K237 PolarHBondContact OG-O 3.29Å; S193-V238 CarbonylContact O-C 3.29Å; S193-V238 WeakPolarHBondContact O-CA 3.27Å; S193-I239 PolarHBondContact O-N 2.92Å
194A97.4Very high95.2Very high0 Ų041.3 Ų41.30%021%0.205CC..EExtended strand (participates in β ladder)trans-138.6147.2-177.200000114.8L53 A136 C137 L138 I196 I239 L276L53-A194 HydrophobicContact CD2-CB 3.83Å; A136-A194 PolarHBondContact O-N 3.23Å; C137-A194 CarbonylContact C-O 3.56Å; C137-A194 WeakPolarHBondContact CA-O 3.39Å; C137-A194 PolarHBondContact SG-O 3.42Å; L138-A194 PolarHBondContact N-O 2.69Å; A194-I196 HydrophobicContact CB-CG1 4.4Å; A194-I239 CarbonylContact C-O 3.53Å; A194-I239 WeakPolarHBondContact CA-O 3.45Å; A194-I239 HydrophobicContact CB-CB 4.33Å; A194-L276 HydrophobicContact CB-CD1 3.99Å; A194-L276 HydrophobicContact CB-CD2 4.06Å
195I98.3Very high94.9Very high0 Ų040.1 Ų40.10%020%0.201CC..EExtended strand (participates in β ladder)trans-114.2117.5161.5-58.3-179.8000107.4L138 T178 L182 L185 N197 V238 I239 I240 Q241L138-I195 HydrophobicContact CB-CG1 4.38Å; L138-I195 HydrophobicContact CD2-CG2 4.21Å; L138-I195 HydrophobicContact CG-CG2 4.49Å; L138-I195 CarbonylContact O-C 3.52Å; L138-I195 WeakPolarHBondContact O-CA 3.03Å; T178-I195 HydrophobicContact CG2-CD1 3.96Å; L182-I195 HydrophobicContact CB-CD1 4.05Å; L182-I195 HydrophobicContact CD1-CD1 3.97Å; L185-I195 HydrophobicContact CD1-CD1 4.12Å; L185-I195 HydrophobicContact CD1-CG1 3.75Å; I195-N197 WeakPolarHBondContact CG2-OD1 3.13Å; I195-V238 HydrophobicContact CD1-CG1 4.38Å; I195-V238 HydrophobicContact CG1-CG1 4.1Å; I195-I239 PolarHBondContact N-O 2.9Å; I195-I240 HydrophobicContact CB-CD1 3.73Å; I195-I240 HydrophobicContact CD1-CD1 4.04Å; I195-I240 HydrophobicContact CG1-CD1 4.12Å; I195-I240 WeakPolarHBondContact O-CA 3.34Å; I195-Q241 PolarHBondContact O-N 3.15Å
196I98.7Very high94.6Very high0 Ų044.1 Ų44.10%023%0.227CC..EExtended strand (participates in β ladder)trans-108.3113.2179.9-56.3178.3000108Y73 L138 V139 N140 A194 I198 Q241 V243 L273 L276Y73-I196 HydrophobicContact CE1-CD1 4.04Å; Y73-I196 HydrophobicContact CE1-CG2 4.15Å; L138-I196 PolarHBondContact O-N 3.01Å; V139-I196 CarbonylContact C-O 3.5Å; V139-I196 WeakPolarHBondContact CA-O 3.37Å; V139-I196 HydrophobicContact CG2-CB 4.42Å; V139-I196 HydrophobicContact CG2-CD1 4.44Å; N140-I196 PolarHBondContact N-O 3.19Å; A194-I196 HydrophobicContact CB-CG1 4.4Å; I196-I198 HydrophobicContact CG2-CD1 3.97Å; I196-Q241 CarbonylContact C-O 3.53Å; I196-Q241 WeakPolarHBondContact CA-O 3.42Å; I196-Q241 HydrophobicContact CG1-CB 4.43Å; I196-V243 HydrophobicContact CG2-CG2 3.83Å; I196-L273 HydrophobicContact CD1-CD2 3.86Å; I196-L276 HydrophobicContact CD1-CD1 4.25Å; I196-L276 HydrophobicContact CG1-CD1 4.23Å
197N98.8Very high94.3Very high0 Ų041.2 Ų41.20%021%0.213CC..EExtended strand (participates in β ladder)trans-102.5117179.8-65-32.4000110.1N140 I195 G199 I220 S224 Q241 T242 V243N140-N197 WeakPolarHBondContact CB-OD1 3.48Å; N140-N197 PolarHBondContact ND2-OD1 3.34Å; I195-N197 WeakPolarHBondContact CG2-OD1 3.13Å; N197-G199 PolarHBondContact O-N 3.07Å; N197-I220 HydrophobicContact CB-CG2 3.74Å; N197-S224 PolarHBondContact ND2-OG 3.39Å; N197-Q241 PolarHBondContact N-O 3.32Å; N197-T242 WeakPolarHBondContact O-CA 3.33Å; N197-V243 PolarHBondContact O-N 2.89Å
198I98.6Very high94.1Very high8 Ų834.4 Ų34.44%0.04119%0.187CC..EExtended strand (participates in β ladder)trans-8496.5177.8-50-54.5000109.7Y73 V139 N140 N141 I196 K217 V243 P245Y73-I198 HydrophobicContact CE2-CD1 4.03Å; V139-I198 HydrophobicContact CG1-CD1 4.45Å; V139-I198 HydrophobicContact CG1-CG1 4.35Å; N140-I198 PolarHBondContact O-N 3.24Å; N141-I198 HydrophobicContact CB-CB 4.36Å; N141-I198 HydrophobicContact CB-CG1 3.69Å; I196-I198 HydrophobicContact CG2-CD1 3.97Å; I198-K217 PolarHBondContact O-NZ 3.31Å; I198-V243 CarbonylContact C-O 3.51Å; I198-V243 HydrophobicContact CD1-CB 3.88Å; I198-V243 HydrophobicContact CD1-CG1 4.4Å; I198-V243 HydrophobicContact CD1-CG2 4.31Å; I198-P245 HydrophobicContact CG2-CG 4Å
199G97.8Very high93.9Very high3 Ų333.6 Ų33.63%0.03118%0.183CC..  trans-78.3-144.5170.600000112.5N197 V243N197-G199 PolarHBondContact O-N 3.07Å; G199-V243 WeakPolarHBondContact CA-O 3.48Å; G199-V243 PolarHBondContact N-O 3.48Å
200S97.4Very high93.9Very high12 Ų1225 Ų258%0.08414%0.143CC..  trans-163.6147.5172.4-179.30000108.8L202 G203 H221S200-L202 PolarHBondContact O-N 3.02Å; S200-L202 PolarHBondContact OG-N 3.1Å; S200-G203 PolarHBondContact O-N 2.87Å; S200-H221 PolarHBondContact N-NE2 3.09Å; S200-H221 PolarHBondContact O-CE1 2.97Å; S200-H221 PolarHBondContact O-NE2 3.18Å
201F95.8Very high94Very high13 Ų1322 Ų226%0.05714%0.135CC..G310 helixtrans-55.1-26.5171-174.3-105.2000113.1G203 C204 L205 P245 L246 S292 L295 T296F201-G203 PolarHBondContact O-N 3.48Å; F201-C204 HydrophobicContact CD2-CB 4.45Å; F201-C204 VanDerWaalsContact O-CB 3.28Å; F201-C204 WeakPolarHBondContact O-CB 3.37Å; F201-C204 PolarHBondContact O-N 3.23Å; F201-L205 HydrophobicContact CD1-CD2 4.04Å; F201-L205 HydrophobicContact CE1-CD2 3.37Å; F201-L205 HydrophobicContact CE2-CD2 4.39Å; F201-L205 HydrophobicContact CZ-CD2 3.57Å; F201-P245 PolarHBondContact N-O 3.44Å; F201-L246 HydrophobicContact CB-CD1 3.81Å; F201-L246 HydrophobicContact CB-CG 3.76Å; F201-L246 HydrophobicContact CD1-CD1 4.5Å; F201-L246 HydrophobicContact CD1-CD2 4.26Å; F201-L246 HydrophobicContact CD1-CG 4.1Å; F201-L246 HydrophobicContact CD2-CD1 4.14Å; F201-L246 HydrophobicContact CG-CD1 3.89Å; F201-L246 HydrophobicContact CG-CD2 4.45Å; F201-L246 HydrophobicContact CG-CG 3.9Å; F201-S292 VanDerWaalsContact CE2-OG 3.29Å; F201-S292 WeakPolarHBondContact CE2-OG 2.89Å; F201-L295 HydrophobicContact CD1-CD1 4.32Å; F201-L295 HydrophobicContact CE1-CB 4.12Å; F201-L295 HydrophobicContact CE1-CD1 3.51Å; F201-L295 HydrophobicContact CE1-CG 4.46Å; F201-L295 HydrophobicContact CZ-CB 3.84Å; F201-L295 HydrophobicContact CZ-CD1 3.97Å; F201-T296 HydrophobicContact CE2-CG2 4.22Å; F201-T296 HydrophobicContact CZ-CG2 4.21Å
202L93.9Very high94.3Very high35 Ų3519.6 Ų19.618%0.18312%0.122CC..G310 helixtrans-67.7-13.2174.2-63.5-169.6000114.3S200 C204 S207 N210 Y213 G214 Y307S200-L202 PolarHBondContact O-N 3.02Å; S200-L202 PolarHBondContact OG-N 3.1Å; L202-C204 VanDerWaalsContact C-N 3.34Å; L202-S207 WeakPolarHBondContact CA-OG 3.44Å; L202-S207 WeakPolarHBondContact CB-OG 3.28Å; L202-S207 PolarHBondContact O-OG 3.26Å; L202-N210 HydrophobicContact CD1-CB 4.35Å; L202-Y213 HydrophobicContact CB-CD1 4.44Å; L202-Y213 HydrophobicContact CB-CE1 4.2Å; L202-Y213 HydrophobicContact CD1-CD1 4.06Å; L202-Y213 HydrophobicContact CD1-CE1 3.93Å; L202-G214 WeakPolarHBondContact O-CA 3.37Å; L202-Y307 HydrophobicContact CD2-CE2 3.72Å
203G95.3Very high94.6Very high12 Ų1219 Ų1912%0.12412%0.117CC..G310 helixtrans-85.1-4.8169.200000113.8S200 F201 G214 H221S200-G203 PolarHBondContact O-N 2.87Å; F201-G203 PolarHBondContact O-N 3.48Å; G203-G214 WeakPolarHBondContact CA-O 3.48Å; G203-H221 VanDerWaalsContact CA-CE1 3.46Å; G203-H221 WeakPolarHBondContact CA-CE1 3.26Å; G203-H221 PolarHBondContact O-ND1 2.58Å
204C92.5Very high94.6Very high57 Ų5719.2 Ų19.239%0.38512%0.119SC..SBendtrans-89.9-16.2179.3-58.90000113.2F201 L202F201-C204 HydrophobicContact CD2-CB 4.45Å; F201-C204 VanDerWaalsContact O-CB 3.28Å; F201-C204 WeakPolarHBondContact O-CB 3.37Å; F201-C204 PolarHBondContact O-N 3.23Å; L202-C204 VanDerWaalsContact C-N 3.34Å
205L89.8Confident94.6Very high27 Ų2722.7 Ų22.714%0.14114%0.144CC..SBendtrans-149.2151.9-176.356.9114.5000110F201 S207 L300 V303 Y304F201-L205 HydrophobicContact CD1-CD2 4.04Å; F201-L205 HydrophobicContact CE1-CD2 3.37Å; F201-L205 HydrophobicContact CE2-CD2 4.39Å; F201-L205 HydrophobicContact CZ-CD2 3.57Å; L205-S207 PolarHBondContact O-N 3.12Å; L205-S207 PolarHBondContact O-OG 3.31Å; L205-S207 VanDerWaalsContact O-OG 3.12Å; L205-L300 HydrophobicContact CB-CD1 4.39Å; L205-V303 HydrophobicContact CD1-CG1 4.4Å; L205-Y304 HydrophobicContact CD1-CE1 4.39Å
206P88.4Confident94.6Very high84 Ų8422.9 Ų22.955%0.54515%0.145SC..  trans-56.7128.6175.5-23.331.1000111.1P208 Y304P206-P208 VanDerWaalsContact O-CD 3.24Å; P206-P208 WeakPolarHBondContact O-CD 3.44Å; P206-Y304 HydrophobicContact CB-CE1 4.43Å; P206-Y304 WeakPolarHBondContact CB-OH 3.3Å; P206-Y304 WeakPolarHBondContact CD-OH 3.26Å; P206-Y304 WeakPolarHBondContact CG-OH 3.18Å; P206-Y304 WeakPolarHBondContact O-CE1 3.39Å
207S88.8Confident94.6Very high8 Ų823.4 Ų23.46%0.05615%0.147CC..  trans-11583.7-169.9-69.90000110.3L202 L205 N210 S211L202-S207 WeakPolarHBondContact CA-OG 3.44Å; L202-S207 WeakPolarHBondContact CB-OG 3.28Å; L202-S207 PolarHBondContact O-OG 3.26Å; L205-S207 PolarHBondContact O-N 3.12Å; L205-S207 PolarHBondContact O-OG 3.31Å; L205-S207 VanDerWaalsContact O-OG 3.12Å; S207-N210 CarbonylContact O-C 3.5Å; S207-N210 PolarHBondContact O-N 3.4Å; S207-N210 VanDerWaalsContact O-N 3.1Å; S207-S211 VanDerWaalsContact O-CA 3.3Å; S207-S211 WeakPolarHBondContact O-CA 3.24Å; S207-S211 PolarHBondContact O-N 2.69Å
208P89Confident94.5Very high34 Ų3425.3 Ų25.322%0.22116%0.163CC..THydrogen-bonded Turntrans-56.6152.9176.526.2-34.2000109.9P206 N210 Y307 K308P206-P208 VanDerWaalsContact O-CD 3.24Å; P206-P208 WeakPolarHBondContact O-CD 3.44Å; P208-N210 PolarHBondContact O-N 3.23Å; P208-Y307 HydrophobicContact CG-CD1 3.97Å; P208-Y307 HydrophobicContact CG-CE1 4.42Å; P208-Y307 WeakPolarHBondContact O-CE1 3.49Å; P208-K308 HydrophobicContact CG-CG 4.46Å
209C89.5Confident94.5Very high4 Ų428.8 Ų28.83%0.02718%0.178CC..THydrogen-bonded Turntrans61.20.3-173.1-47.30000116.9Y146 F149 E150 A311Y146-C209 VanDerWaalsContact CD2-O 3.28Å; Y146-C209 WeakPolarHBondContact CD2-O 3.5Å; F149-C209 HydrophobicContact CB-CB 4.12Å; E150-C209 PolarHBondContact N-O 3.4Å; E150-C209 CarbonylContact O-C 3.46Å; E150-C209 WeakPolarHBondContact O-CA 3.48Å; C209-A311 HydrophobicContact CB-CB 4.2Å
210N92Very high94.6Very high10 Ų1028.7 Ų28.75%0.05318%0.177CC..SBendtrans-14432.2173.1-91.3-61.3000109.6Y146 F149 L202 S207 P208 L212 Y213 G214 Y307Y146-N210 WeakPolarHBondContact CB-OD1 3.27Å; Y146-N210 WeakPolarHBondContact CD2-OD1 3.19Å; F149-N210 WeakPolarHBondContact CD1-ND2 3.3Å; F149-N210 WeakPolarHBondContact CE1-ND2 3.2Å; L202-N210 HydrophobicContact CD1-CB 4.35Å; S207-N210 CarbonylContact O-C 3.5Å; S207-N210 PolarHBondContact O-N 3.4Å; S207-N210 VanDerWaalsContact O-N 3.1Å; P208-N210 PolarHBondContact O-N 3.23Å; N210-L212 PolarHBondContact O-N 3.44Å; N210-Y213 HydrophobicContact CB-CD1 4.43Å; N210-Y213 PolarHBondContact O-N 3.01Å; N210-G214 PolarHBondContact O-N 3.16Å; N210-Y307 PolarHBondContact ND2-OH 2.91Å
211S93.7Very high94.6Very high39 Ų3928.8 Ų28.827%0.27318%0.176SC..Hα-helixtrans-57.4-53.5-165.248.70000111.9Y152 S207 G214 S215Y152-S211 WeakPolarHBondContact CD2-OG 3.48Å; S207-S211 VanDerWaalsContact O-CA 3.3Å; S207-S211 WeakPolarHBondContact O-CA 3.24Å; S207-S211 PolarHBondContact O-N 2.69Å; S211-G214 PolarHBondContact O-N 3.37Å; S211-S215 WeakPolarHBondContact O-CB 3.18Å; S211-S215 PolarHBondContact O-N 2.84Å; S211-S215 PolarHBondContact O-OG 3.28Å
212L96.7Very high94.7Very high28 Ų2834.6 Ų34.615%0.14720%0.203CC..Hα-helixtrans-67.5-41.2179.9-172.758.9000111.4Y146 Y152 M158 I163 L166 I167 N210 G214 S215 T216Y146-L212 HydrophobicContact CE1-CB 4.15Å; Y146-L212 WeakPolarHBondContact OH-CB 3.31Å; Y146-L212 PolarHBondContact OH-N 3.01Å; Y152-L212 HydrophobicContact CE2-CB 4.36Å; M158-L212 HydrophobicContact SD-CD2 4.5Å; I163-L212 HydrophobicContact CB-CD2 4.23Å; I163-L212 HydrophobicContact CG1-CD2 3.98Å; I163-L212 HydrophobicContact CG2-CD2 3.99Å; L166-L212 HydrophobicContact CD2-CB 4.12Å; L166-L212 HydrophobicContact CD2-CD2 3.87Å; L166-L212 HydrophobicContact CD2-CG 3.79Å; I167-L212 HydrophobicContact CD1-CD1 4.36Å; I167-L212 HydrophobicContact CG1-CD1 4.35Å; N210-L212 PolarHBondContact O-N 3.44Å; L212-G214 PolarHBondContact O-N 3.31Å; L212-S215 WeakPolarHBondContact O-CB 3.23Å; L212-S215 PolarHBondContact O-N 3.33Å; L212-T216 WeakPolarHBondContact O-CG2 3.39Å; L212-T216 PolarHBondContact O-N 2.99Å
213Y96.9Very high95Very high25 Ų2535.2 Ų35.210%0.09820%0.204CC..Hα-helixtrans-57-51.5174.7172.9-96.7000111.7M144 L202 N210 S215 T216 K217M144-Y213 VanDerWaalsContact O-CD2 3.26Å; M144-Y213 WeakPolarHBondContact O-CD2 3.47Å; M144-Y213 VanDerWaalsContact O-CE2 3.32Å; M144-Y213 WeakPolarHBondContact O-CE2 3.39Å; L202-Y213 HydrophobicContact CB-CD1 4.44Å; L202-Y213 HydrophobicContact CB-CE1 4.2Å; L202-Y213 HydrophobicContact CD1-CD1 4.06Å; L202-Y213 HydrophobicContact CD1-CE1 3.93Å; N210-Y213 HydrophobicContact CB-CD1 4.43Å; N210-Y213 PolarHBondContact O-N 3.01Å; Y213-S215 VanDerWaalsContact C-N 3.31Å; Y213-S215 PolarHBondContact O-N 2.96Å; Y213-T216 PolarHBondContact O-N 3.3Å; Y213-T216 VanDerWaalsContact O-N 3.17Å; Y213-T216 PolarHBondContact O-OG1 3.4Å; Y213-K217 HydrophobicContact CE1-CG 4.1Å; Y213-K217 HydrophobicContact CE2-CG 4.18Å; Y213-K217 PolarHBondContact O-N 2.71Å
214G96.5Very high95.1Very high4 Ų434.6 Ų34.64%0.04120%0.198CC..Hα-helixtrans-57.6-43.217600000111.9L202 G203 N210 S211 L212 T216 K217 A218L202-G214 WeakPolarHBondContact O-CA 3.37Å; G203-G214 WeakPolarHBondContact CA-O 3.48Å; N210-G214 PolarHBondContact O-N 3.16Å; S211-G214 PolarHBondContact O-N 3.37Å; L212-G214 PolarHBondContact O-N 3.31Å; G214-T216 PolarHBondContact O-N 3.27Å; G214-K217 PolarHBondContact O-N 3.49Å; G214-A218 PolarHBondContact O-N 3.43Å
215S97.8Very high95.2Very high74 Ų7436.9 Ų36.952%0.51720%0.202SC..Hα-helixtrans-60.9-42.8174.7-64.30000112.9S211 L212 Y213 K217 A218 F219S211-S215 WeakPolarHBondContact O-CB 3.18Å; S211-S215 PolarHBondContact O-N 2.84Å; S211-S215 PolarHBondContact O-OG 3.28Å; L212-S215 WeakPolarHBondContact O-CB 3.23Å; L212-S215 PolarHBondContact O-N 3.33Å; Y213-S215 VanDerWaalsContact C-N 3.31Å; Y213-S215 PolarHBondContact O-N 2.96Å; S215-K217 VanDerWaalsContact C-N 3.28Å; S215-K217 PolarHBondContact O-N 2.86Å; S215-A218 WeakPolarHBondContact O-CB 3.26Å; S215-A218 PolarHBondContact O-N 2.91Å; S215-F219 PolarHBondContact O-N 3.38Å
216T98.5Very high95.5Very high4 Ų437.7 Ų37.73%0.02521%0.21CC..Hα-helixtrans-63.6-34175.365.40000112.4L166 I167 N170 T171 L212 Y213 G214 F219 I220L166-T216 HydrophobicContact CG-CG2 4.35Å; I167-T216 HydrophobicContact CG1-CG2 4.38Å; N170-T216 HydrophobicContact CB-CG2 4.09Å; N170-T216 WeakPolarHBondContact CB-OG1 3.46Å; N170-T216 PolarHBondContact ND2-OG1 3.23Å; T171-T216 HydrophobicContact CG2-CG2 3.87Å; L212-T216 WeakPolarHBondContact O-CG2 3.39Å; L212-T216 PolarHBondContact O-N 2.99Å; Y213-T216 PolarHBondContact O-N 3.3Å; Y213-T216 VanDerWaalsContact O-N 3.17Å; Y213-T216 PolarHBondContact O-OG1 3.4Å; G214-T216 PolarHBondContact O-N 3.27Å; T216-F219 WeakPolarHBondContact O-CB 3.3Å; T216-F219 PolarHBondContact O-N 2.75Å; T216-I220 PolarHBondContact O-N 2.88Å
217K98.3Very high95.8Very high10 Ų1034.2 Ų34.24%0.04319%0.186CC..Hα-helixtrans-76-32.6175.8-63.4-57.4-167.7177.20112I198 Y213 G214 S215 F219 I220 H221I198-K217 PolarHBondContact O-NZ 3.31Å; Y213-K217 HydrophobicContact CE1-CG 4.1Å; Y213-K217 HydrophobicContact CE2-CG 4.18Å; Y213-K217 PolarHBondContact O-N 2.71Å; G214-K217 PolarHBondContact O-N 3.49Å; S215-K217 VanDerWaalsContact C-N 3.28Å; S215-K217 PolarHBondContact O-N 2.86Å; K217-F219 VanDerWaalsContact C-N 3.33Å; K217-I220 HydrophobicContact CD-CD1 3.69Å; K217-I220 WeakPolarHBondContact O-CB 3.2Å; K217-I220 PolarHBondContact O-N 2.94Å; K217-H221 PolarHBondContact O-CD2 2.79Å; K217-H221 VanDerWaalsContact O-CG 3.28Å; K217-H221 PolarHBondContact O-N 3.41Å; K217-H221 VanDerWaalsContact O-N 3.14Å; K217-H221 PolarHBondContact O-NE2 3.47Å
218A98.3Very high96.1Very high40 Ų4034.2 Ų34.233%0.33119%0.186SC..Hα-helixtrans-63.2-37.7170.500000112.2G214 S215 I220 H221 H222G214-A218 PolarHBondContact O-N 3.43Å; S215-A218 WeakPolarHBondContact O-CB 3.26Å; S215-A218 PolarHBondContact O-N 2.91Å; A218-I220 PolarHBondContact O-N 3.39Å; A218-H221 WeakPolarHBondContact O-CB 3.32Å; A218-H221 PolarHBondContact O-N 3.09Å; A218-H222 PolarHBondContact O-N 2.84Å
219F98.7Very high96.3Very high81 Ų8135.7 Ų35.736%0.35520%0.202SC..Hα-helixtrans-54.7-50.4170.4169.6-86.1000111.1T171 A175 S215 T216 K217 H221 H222 F223T171-F219 VanDerWaalsContact CB-CD1 3.47Å; T171-F219 HydrophobicContact CG2-CB 3.86Å; T171-F219 HydrophobicContact CG2-CD1 3.64Å; T171-F219 HydrophobicContact CG2-CE1 4.36Å; T171-F219 HydrophobicContact CG2-CG 3.76Å; T171-F219 WeakPolarHBondContact O-CE1 3.26Å; A175-F219 HydrophobicContact CB-CZ 4.34Å; S215-F219 PolarHBondContact O-N 3.38Å; T216-F219 WeakPolarHBondContact O-CB 3.3Å; T216-F219 PolarHBondContact O-N 2.75Å; K217-F219 VanDerWaalsContact C-N 3.33Å; F219-H221 VanDerWaalsContact C-N 3.26Å; F219-H221 PolarHBondContact O-N 3.16Å; F219-H222 PolarHBondContact O-N 3.07Å; F219-F223 HydrophobicContact CD1-CB 4.48Å; F219-F223 HydrophobicContact CE1-CB 4.17Å; F219-F223 HydrophobicContact CE1-CG 4.32Å; F219-F223 HydrophobicContact CZ-CB 4.33Å; F219-F223 HydrophobicContact CZ-CD2 4.48Å; F219-F223 HydrophobicContact CZ-CG 4.38Å; F219-F223 WeakPolarHBondContact O-CB 3.17Å; F219-F223 PolarHBondContact O-N 3.06Å
220I98.6Very high96.4Very high1 Ų142.9 Ų42.91%0.00524%0.235CC..Hα-helixtrans-56.9-43.4179-61.8175.4000110.7N170 V174 N197 T216 K217 A218 S224N170-I220 WeakPolarHBondContact O-CD1 3.25Å; V174-I220 HydrophobicContact CG2-CD1 3.97Å; V174-I220 HydrophobicContact CG2-CG1 4.04Å; N197-I220 HydrophobicContact CB-CG2 3.74Å; T216-I220 PolarHBondContact O-N 2.88Å; K217-I220 HydrophobicContact CD-CD1 3.69Å; K217-I220 WeakPolarHBondContact O-CB 3.2Å; K217-I220 PolarHBondContact O-N 2.94Å; A218-I220 PolarHBondContact O-N 3.39Å; I220-S224 VanDerWaalsContact O-CB 3.22Å; I220-S224 WeakPolarHBondContact O-CB 3.17Å; I220-S224 PolarHBondContact O-N 3.18Å; I220-S224 PolarHBondContact O-OG 3.11Å
221H98Very high96.3Very high14 Ų1444.6 Ų44.67%0.06524%0.244CC..Hα-helixtrans-63.1-46.8-178.8-59.9175.5000111.9S200 G203 K217 A218 F219 K225 C244 F281S200-H221 PolarHBondContact N-NE2 3.09Å; S200-H221 PolarHBondContact O-CE1 2.97Å; S200-H221 PolarHBondContact O-NE2 3.18Å; G203-H221 VanDerWaalsContact CA-CE1 3.46Å; G203-H221 WeakPolarHBondContact CA-CE1 3.26Å; G203-H221 PolarHBondContact O-ND1 2.58Å; K217-H221 PolarHBondContact O-CD2 2.79Å; K217-H221 VanDerWaalsContact O-CG 3.28Å; K217-H221 PolarHBondContact O-N 3.41Å; K217-H221 VanDerWaalsContact O-N 3.14Å; K217-H221 PolarHBondContact O-NE2 3.47Å; A218-H221 WeakPolarHBondContact O-CB 3.32Å; A218-H221 PolarHBondContact O-N 3.09Å; F219-H221 VanDerWaalsContact C-N 3.26Å; F219-H221 PolarHBondContact O-N 3.16Å; H221-K225 WeakPolarHBondContact O-CG 3.43Å; H221-K225 PolarHBondContact O-N 3.44Å; H221-C244 PolarHBondContact NE2-SG 3.03Å; H221-F281 HydrophobicContact CB-CE2 4.11Å; H221-F281 AromaticContact CG-CE2 3.85Å
222H98.3Very high95.2Very high136 Ų13647 Ų4763%0.6325%0.253SS*.Hα-helixtrans-70.3-47.4-179.4-168.672.7000111A218 F219 S224 K225 S226A218-H222 PolarHBondContact O-N 2.84Å; F219-H222 PolarHBondContact O-N 3.07Å; H222-S224 VanDerWaalsContact C-N 3.32Å; H222-S224 PolarHBondContact O-N 3.49Å; H222-K225 PolarHBondContact O-N 3.24Å; H222-K225 VanDerWaalsContact O-N 3.15Å; H222-S226 PolarHBondContact O-N 3.33Å; H222-S226 PolarHBondContact O-OG 3.39Å; H222-S226 VanDerWaalsContact O-OG 3.1Å
223F98.5Very high93.6Very high47 Ų4751.4 Ų51.421%0.20628%0.284CS..Hα-helixtrans-53.9-47.8176.4178-110.1000111.8V174 A175 T178 F219 K225 S226 I227V174-F223 HydrophobicContact CG1-CD1 4.05Å; V174-F223 HydrophobicContact CG1-CE1 4.15Å; A175-F223 HydrophobicContact CB-CZ 4.33Å; T178-F223 HydrophobicContact CG2-CE1 4.18Å; T178-F223 HydrophobicContact CG2-CZ 4.15Å; F219-F223 HydrophobicContact CD1-CB 4.48Å; F219-F223 HydrophobicContact CE1-CB 4.17Å; F219-F223 HydrophobicContact CE1-CG 4.32Å; F219-F223 HydrophobicContact CZ-CB 4.33Å; F219-F223 HydrophobicContact CZ-CD2 4.48Å; F219-F223 HydrophobicContact CZ-CG 4.38Å; F219-F223 WeakPolarHBondContact O-CB 3.17Å; F219-F223 PolarHBondContact O-N 3.06Å; F223-K225 PolarHBondContact O-N 3.44Å; F223-S226 PolarHBondContact O-N 3.19Å; F223-I227 HydrophobicContact CD1-CD1 4.49Å; F223-I227 HydrophobicContact CD2-CG2 4.32Å; F223-I227 HydrophobicContact CE1-CD1 4.1Å; F223-I227 HydrophobicContact CE1-CG2 4.42Å; F223-I227 HydrophobicContact CE2-CG2 3.86Å; F223-I227 HydrophobicContact CZ-CG2 3.92Å; F223-I227 WeakPolarHBondContact O-CG1 3.29Å; F223-I227 PolarHBondContact O-N 3.02Å
224S97.7Very high91.6Very high0 Ų056.2 Ų56.20%032%0.318CS..Hα-helixtrans-62.3-40.3179.8-56.70000112.7N197 I220 H222 I227 S228 T242N197-S224 PolarHBondContact ND2-OG 3.39Å; I220-S224 VanDerWaalsContact O-CB 3.22Å; I220-S224 WeakPolarHBondContact O-CB 3.17Å; I220-S224 PolarHBondContact O-N 3.18Å; I220-S224 PolarHBondContact O-OG 3.11Å; H222-S224 VanDerWaalsContact C-N 3.32Å; H222-S224 PolarHBondContact O-N 3.49Å; S224-I227 VanDerWaalsContact O-CG1 3.25Å; S224-I227 WeakPolarHBondContact O-CG1 3.21Å; S224-S228 WeakPolarHBondContact O-CB 3.37Å; S224-S228 PolarHBondContact O-N 3.04Å; S224-T242 WeakPolarHBondContact CB-OG1 3.45Å; S224-T242 PolarHBondContact OG-OG1 3.47Å
225K95.9Very high89.7Confident104 Ų10458.2 Ų58.245%0.45234%0.338SS..Hα-helixtrans-67-41.9176.3-75.2-179.5177-174.40111.8H221 H222 F223 S228 A229H221-K225 WeakPolarHBondContact O-CG 3.43Å; H221-K225 PolarHBondContact O-N 3.44Å; H222-K225 PolarHBondContact O-N 3.24Å; H222-K225 VanDerWaalsContact O-N 3.15Å; F223-K225 PolarHBondContact O-N 3.44Å; K225-S228 PolarHBondContact O-N 3.19Å; K225-A229 PolarHBondContact O-N 2.85Å
226S96.3Very high88.5Confident45 Ų4559.4 Ų59.432%0.31534%0.339SS..Hα-helixtrans-61.8-49.7178.7-57.60000111.4H222 F223 S228 A229 E230H222-S226 PolarHBondContact O-N 3.33Å; H222-S226 PolarHBondContact O-OG 3.39Å; H222-S226 VanDerWaalsContact O-OG 3.1Å; F223-S226 PolarHBondContact O-N 3.19Å; S226-S228 VanDerWaalsContact C-N 3.32Å; S226-S228 PolarHBondContact O-N 3.41Å; S226-A229 WeakPolarHBondContact O-CB 3.46Å; S226-A229 PolarHBondContact O-N 2.89Å; S226-E230 PolarHBondContact O-N 3.28Å; S226-E230 VanDerWaalsContact O-N 3.13Å
227I94.8Very high88.1Confident11 Ų1162.3 Ų62.36%0.05635%0.351CS..Hα-helixtrans-66.3-33.5177.366175.6000112.1T178 F223 S224 A229 E230 L231 I240T178-I227 HydrophobicContact CG2-CD1 3.97Å; F223-I227 HydrophobicContact CD1-CD1 4.49Å; F223-I227 HydrophobicContact CD2-CG2 4.32Å; F223-I227 HydrophobicContact CE1-CD1 4.1Å; F223-I227 HydrophobicContact CE1-CG2 4.42Å; F223-I227 HydrophobicContact CE2-CG2 3.86Å; F223-I227 HydrophobicContact CZ-CG2 3.92Å; F223-I227 WeakPolarHBondContact O-CG1 3.29Å; F223-I227 PolarHBondContact O-N 3.02Å; S224-I227 VanDerWaalsContact O-CG1 3.25Å; S224-I227 WeakPolarHBondContact O-CG1 3.21Å; I227-A229 VanDerWaalsContact C-N 3.31Å; I227-A229 PolarHBondContact O-N 3.17Å; I227-E230 PolarHBondContact O-N 2.85Å; I227-L231 WeakPolarHBondContact O-CG 3.3Å; I227-L231 PolarHBondContact O-N 2.81Å; I227-L231 VanDerWaalsContact O-N 3.16Å; I227-I240 HydrophobicContact CD1-CD1 3.94Å; I227-I240 HydrophobicContact CD1-CG1 4.29Å; I227-I240 HydrophobicContact CD1-CG2 4.08Å; I227-I240 HydrophobicContact CG1-CD1 4.32Å; I227-I240 HydrophobicContact CG1-CG1 4.15Å; I227-I240 HydrophobicContact CG1-CG2 4.12Å
228S94Very high88Confident7 Ų762.5 Ų62.55%0.04935%0.353CS..Hα-helixtrans-63.2-40.2175.1-166.10000111.2S224 K225 S226 L231 N232 E280S224-S228 WeakPolarHBondContact O-CB 3.37Å; S224-S228 PolarHBondContact O-N 3.04Å; K225-S228 PolarHBondContact O-N 3.19Å; S226-S228 VanDerWaalsContact C-N 3.32Å; S226-S228 PolarHBondContact O-N 3.41Å; S228-L231 PolarHBondContact O-N 3.29Å; S228-N232 PolarHBondContact O-N 2.82Å; S228-N232 PolarHBondContact O-ND2 3.47Å; S228-E280 WeakPolarHBondContact CB-OE2 3.25Å; S228-E280 PolarHBondContact OG-OE2 2.9Å
229A92.7Very high87.8Confident66 Ų6661.7 Ų61.755%0.54534%0.343SS..Hα-helixtrans-65.6-37.9176.800000112.5K225 S226 I227 L231 N232K225-A229 PolarHBondContact O-N 2.85Å; S226-A229 WeakPolarHBondContact O-CB 3.46Å; S226-A229 PolarHBondContact O-N 2.89Å; I227-A229 VanDerWaalsContact C-N 3.31Å; I227-A229 PolarHBondContact O-N 3.17Å; A229-L231 VanDerWaalsContact C-N 3.31Å; A229-L231 PolarHBondContact O-N 3.4Å; A229-N232 PolarHBondContact O-N 2.96Å
230E92.2Very high87.7Confident154 Ų15458 Ų5872%0.7233%0.327SS*.Hα-helixtrans-66.9-30.6176.4-69.7170.5-162.400113.2S226 I227 N232S226-E230 PolarHBondContact O-N 3.28Å; S226-E230 VanDerWaalsContact O-N 3.13Å; I227-E230 PolarHBondContact O-N 2.85Å; E230-N232 VanDerWaalsContact C-N 3.31Å
231L89.3Confident87.7Confident47 Ų4758 Ų5825%0.24633%0.327CS..THydrogen-bonded Turntrans-83.8-5.2-179.1-65.9173.9000113.6L182 L186 I227 S228 A229 V238 I240L182-L231 HydrophobicContact CD1-CD1 4.02Å; L182-L231 HydrophobicContact CD1-CD2 4.27Å; L186-L231 HydrophobicContact CD1-CD2 4.16Å; L186-L231 HydrophobicContact CD2-CD2 3.85Å; I227-L231 WeakPolarHBondContact O-CG 3.3Å; I227-L231 PolarHBondContact O-N 2.81Å; I227-L231 VanDerWaalsContact O-N 3.16Å; S228-L231 PolarHBondContact O-N 3.29Å; A229-L231 VanDerWaalsContact C-N 3.31Å; A229-L231 PolarHBondContact O-N 3.4Å; L231-V238 HydrophobicContact CD1-CB 4.29Å; L231-I240 HydrophobicContact CD1-CD1 3.7Å; L231-I240 HydrophobicContact CD1-CG1 3.72Å
232N70.7Confident87.7Confident89 Ų8957.3 Ų57.348%0.47632%0.324SS..  trans-102.8122.3174.7-76.5-54000109S228 A229 E230S228-N232 PolarHBondContact O-N 2.82Å; S228-N232 PolarHBondContact O-ND2 3.47Å; A229-N232 PolarHBondContact O-N 2.96Å; E230-N232 VanDerWaalsContact C-N 3.31Å
233P64Low87.7Confident120 Ų12050.9 Ų50.978%0.77929%0.294SS*.SBend-134.3177.75235.5-17.1000115.3
234P55.4Low87.7Confident127 Ų12748.6 Ų48.683%0.82528%0.284SS*.SBend-75.8125.5-102.534.7-18.4000114.3
235G56.5Low87.7Confident45 Ų4549 Ų4946%0.46429%0.287SS..  trans-156.3-9.7168.500000115.5K237G235-K237 PolarHBondContact O-N 3.46Å
236N72.9Confident87.6Confident100 Ų10045.6 Ų45.654%0.53527%0.273SS..  trans45.731.8-174-64.5-34.5000112.7N192N192-N236 VanDerWaalsContact CA-O 3.32Å; N192-N236 WeakPolarHBondContact CA-O 3.34Å; N192-N236 PolarHBondContact N-O 3.34Å
237K89.7Confident87.5Confident64 Ų6448.4 Ų48.428%0.27828%0.28SS..SBendtrans-66.7-46.9-175.2-174162.1-165.3167.70110.5L186 Q188 N192 S193 G235L186-K237 HydrophobicContact CD2-CD 4.48Å; L186-K237 WeakPolarHBondContact O-CE 3.19Å; L186-K237 PolarHBondContact O-NZ 3.4Å; Q188-K237 WeakPolarHBondContact O-CE 3.22Å; Q188-K237 PolarHBondContact O-NZ 2.92Å; N192-K237 PolarHBondContact N-O 3.46Å; S193-K237 PolarHBondContact N-O 2.93Å; S193-K237 VanDerWaalsContact N-O 3.13Å; S193-K237 PolarHBondContact OG-O 3.29Å; G235-K237 PolarHBondContact O-N 3.46Å
238V95.2Very high87.6Confident14 Ų1448 Ų489%0.08528%0.278CS..EExtended strand (participates in β ladder)trans-129.3120.2175.1-170.20000108.7L182 L185 L186 S193 I195 L231 I240L182-V238 HydrophobicContact CD1-CB 4.4Å; L182-V238 HydrophobicContact CD1-CG1 4.1Å; L182-V238 HydrophobicContact CD1-CG2 4.17Å; L185-V238 HydrophobicContact CB-CG2 3.75Å; L185-V238 HydrophobicContact CD1-CG1 3.87Å; L186-V238 HydrophobicContact CD2-CG2 3.77Å; L186-V238 HydrophobicContact CG-CG2 4.33Å; S193-V238 CarbonylContact O-C 3.29Å; S193-V238 WeakPolarHBondContact O-CA 3.27Å; I195-V238 HydrophobicContact CD1-CG1 4.38Å; I195-V238 HydrophobicContact CG1-CG1 4.1Å; L231-V238 HydrophobicContact CD1-CB 4.29Å; V238-I240 HydrophobicContact CG1-CD1 4.11Å
239I95.2Very high87.7Confident23 Ų2348.6 Ų48.612%0.11828%0.283CS..EExtended strand (participates in β ladder)trans-89123.2174.7-60.1170.6000107.9K49 S193 A194 I195 L276K49-I239 HydrophobicContact CB-CD1 3.89Å; K49-I239 HydrophobicContact CG-CD1 3.94Å; S193-I239 PolarHBondContact O-N 2.92Å; A194-I239 CarbonylContact C-O 3.53Å; A194-I239 WeakPolarHBondContact CA-O 3.45Å; A194-I239 HydrophobicContact CB-CB 4.33Å; I195-I239 PolarHBondContact N-O 2.9Å; I239-L276 HydrophobicContact CG2-CD1 3.95Å
240I96.3Very high87.7Confident5 Ų546.5 Ų46.53%0.02626%0.264CS..EExtended strand (participates in β ladder)trans-93.9129.4169.8-52-58.6000108.3I195 I227 L231 V238 E280I195-I240 HydrophobicContact CB-CD1 3.73Å; I195-I240 HydrophobicContact CD1-CD1 4.04Å; I195-I240 HydrophobicContact CG1-CD1 4.12Å; I195-I240 WeakPolarHBondContact O-CA 3.34Å; I227-I240 HydrophobicContact CD1-CD1 3.94Å; I227-I240 HydrophobicContact CD1-CG1 4.29Å; I227-I240 HydrophobicContact CD1-CG2 4.08Å; I227-I240 HydrophobicContact CG1-CD1 4.32Å; I227-I240 HydrophobicContact CG1-CG1 4.15Å; I227-I240 HydrophobicContact CG1-CG2 4.12Å; L231-I240 HydrophobicContact CD1-CD1 3.7Å; L231-I240 HydrophobicContact CD1-CG1 3.72Å; V238-I240 HydrophobicContact CG1-CD1 4.11Å; I240-E280 WeakPolarHBondContact O-CG 3.36Å
241Q97.7Very high87.6Confident0 Ų042.6 Ų42.60%026%0.258CS..EExtended strand (participates in β ladder)trans-128.1131173.3-175.6177.36000110.3I195 I196 N197 V243 M275 L276 E279 E280 T282I195-Q241 PolarHBondContact O-N 3.15Å; I196-Q241 CarbonylContact C-O 3.53Å; I196-Q241 WeakPolarHBondContact CA-O 3.42Å; I196-Q241 HydrophobicContact CG1-CB 4.43Å; N197-Q241 PolarHBondContact N-O 3.32Å; Q241-V243 HydrophobicContact CG-CG2 3.94Å; Q241-M275 VanDerWaalsContact NE2-C 3.26Å; Q241-M275 PolarHBondContact NE2-O 3.46Å; Q241-M275 VanDerWaalsContact NE2-O 3.1Å; Q241-L276 HydrophobicContact CB-CD1 3.96Å; Q241-E279 PolarHBondContact NE2-O 3.25Å; Q241-E280 CarbonylContact C-O 3.57Å; Q241-E280 WeakPolarHBondContact CA-O 3.43Å; Q241-T282 HydrophobicContact CG-CG2 4.45Å
242T98.5Very high87.5Confident0 Ų044.9 Ų44.90%027%0.268CS..EExtended strand (participates in β ladder)trans-102.5117.6167.8-47.70000109.3N197 S224 E280 F281 T282N197-T242 WeakPolarHBondContact O-CA 3.33Å; S224-T242 WeakPolarHBondContact CB-OG1 3.45Å; S224-T242 PolarHBondContact OG-OG1 3.47Å; T242-E280 PolarHBondContact N-O 2.89Å; T242-F281 HydrophobicContact CG2-CD2 4.02Å; T242-F281 HydrophobicContact CG2-CE2 3.96Å; T242-F281 WeakPolarHBondContact O-CA 3.23Å; T242-T282 PolarHBondContact O-N 3.47Å
243V98.6Very high88.2Confident0 Ų042.2 Ų42.20%026%0.257CS..EExtended strand (participates in β ladder)trans-103.8124.5175.8-1770000108.2I196 N197 I198 G199 Q241 P245 Y268 A272 T282I196-V243 HydrophobicContact CG2-CG2 3.83Å; N197-V243 PolarHBondContact O-N 2.89Å; I198-V243 CarbonylContact C-O 3.51Å; I198-V243 HydrophobicContact CD1-CB 3.88Å; I198-V243 HydrophobicContact CD1-CG1 4.4Å; I198-V243 HydrophobicContact CD1-CG2 4.31Å; G199-V243 WeakPolarHBondContact CA-O 3.48Å; G199-V243 PolarHBondContact N-O 3.48Å; Q241-V243 HydrophobicContact CG-CG2 3.94Å; V243-P245 VanDerWaalsContact C-CD 3.48Å; V243-P245 WeakPolarHBondContact O-CD 3.48Å; V243-Y268 HydrophobicContact CG1-CE1 4.19Å; V243-Y268 WeakPolarHBondContact CG1-OH 3.27Å; V243-A272 HydrophobicContact CG1-CB 4.06Å; V243-T282 CarbonylContact C-O 3.12Å; V243-T282 WeakPolarHBondContact CA-O 3.35Å; V243-T282 HydrophobicContact CB-CG2 4.49Å; V243-T282 HydrophobicContact CG1-CG2 4.47Å; V243-T282 HydrophobicContact CG2-CG2 4.02Å
244C98Very high89.2Confident0 Ų041.6 Ų41.60%024%0.239CC..  trans-118.378-172.1-60.60000111.1H221 F281 T282 T283H221-C244 PolarHBondContact NE2-SG 3.03Å; C244-F281 HydrophobicContact CB-CE1 4.36Å; C244-F281 HydrophobicContact CB-CZ 4.25Å; C244-F281 WeakPolarHBondContact SG-CE2 3.33Å; C244-F281 WeakPolarHBondContact SG-CZ 3.42Å; C244-T282 PolarHBondContact N-O 2.98Å; C244-T283 WeakPolarHBondContact O-CA 3.4Å
245P97.5Very high90.1Very high9 Ų936.7 Ų36.76%0.05821%0.209CC..  trans-59.7147.2179-12.619.5000112.7I69 I198 F201 V243 V248 Y268I69-P245 HydrophobicContact CD1-CB 4.24Å; I69-P245 HydrophobicContact CD1-CG 3.86Å; I198-P245 HydrophobicContact CG2-CG 4Å; F201-P245 PolarHBondContact N-O 3.44Å; V243-P245 VanDerWaalsContact C-CD 3.48Å; V243-P245 WeakPolarHBondContact O-CD 3.48Å; P245-V248 HydrophobicContact CB-CG2 4.09Å; P245-Y268 WeakPolarHBondContact CA-OH 3.35Å; P245-Y268 HydrophobicContact CB-CE1 4.01Å; P245-Y268 HydrophobicContact CB-CE2 4.36Å; P245-Y268 VanDerWaalsContact CB-OH 3.3Å; P245-Y268 WeakPolarHBondContact CB-OH 3.32Å; P245-Y268 HydrophobicContact CG-CE1 3.77Å; P245-Y268 VanDerWaalsContact CG-OH 3.23Å; P245-Y268 WeakPolarHBondContact CG-OH 3.18Å
246L95.2Very high90.6Very high31 Ų3140 Ų4016%0.16223%0.225CC..  trans-86.4-141.1151.8-72.184.5000108.2F201 V248 T283 H288 Q291 L295F201-L246 HydrophobicContact CB-CD1 3.81Å; F201-L246 HydrophobicContact CB-CG 3.76Å; F201-L246 HydrophobicContact CD1-CD1 4.5Å; F201-L246 HydrophobicContact CD1-CD2 4.26Å; F201-L246 HydrophobicContact CD1-CG 4.1Å; F201-L246 HydrophobicContact CD2-CD1 4.14Å; F201-L246 HydrophobicContact CG-CD1 3.89Å; F201-L246 HydrophobicContact CG-CD2 4.45Å; F201-L246 HydrophobicContact CG-CG 3.9Å; L246-V248 PolarHBondContact O-N 3.11Å; L246-T283 HydrophobicContact CD1-CG2 4.35Å; L246-H288 HydrophobicContact CD1-CB 3.71Å; L246-H288 PolarHBondContact N-CE1 3.46Å; L246-H288 PolarHBondContact N-ND1 3.43Å; L246-Q291 HydrophobicContact CD2-CB 3.66Å; L246-Q291 HydrophobicContact CD2-CG 4.45Å; L246-L295 HydrophobicContact CD2-CD1 4.11Å
247F94.1Very high91.4Very high104 Ų10443.3 Ų43.346%0.45624%0.235SC..  trans-75.5120.3-179.7-76.3-77.3000111.4I262 H288F247-I262 HydrophobicContact CB-CG1 4.24Å; F247-I262 HydrophobicContact CB-CG2 4.35Å; F247-I262 WeakPolarHBondContact O-CA 3.31Å; F247-H288 PolarHBondContact O-NE2 2.89Å
248V96.1Very high91.5Very high4 Ų443.2 Ų43.22%0.02425%0.246CC..  trans-113140.3169.6-177.30000108.2I69 P245 L246 T250 S253 P263 P265 Y268I69-V248 HydrophobicContact CD1-CB 4.17Å; I69-V248 HydrophobicContact CD1-CG1 4.45Å; I69-V248 HydrophobicContact CD1-CG2 3.91Å; I69-V248 HydrophobicContact CG1-CB 4.35Å; I69-V248 HydrophobicContact CG1-CG1 4.12Å; I69-V248 HydrophobicContact CG1-CG2 4.43Å; P245-V248 HydrophobicContact CB-CG2 4.09Å; L246-V248 PolarHBondContact O-N 3.11Å; V248-T250 HydrophobicContact CB-CG2 4.29Å; V248-T250 HydrophobicContact CG1-CG2 4.02Å; V248-T250 PolarHBondContact O-N 2.99Å; V248-T250 PolarHBondContact O-OG1 3.44Å; V248-S253 WeakPolarHBondContact O-CB 3.21Å; V248-S253 PolarHBondContact O-OG 3.05Å; V248-P263 WeakPolarHBondContact CG1-O 3.48Å; V248-P263 HydrophobicContact CG2-CG 4.4Å; V248-P265 HydrophobicContact CG1-CB 4.35Å; V248-P265 HydrophobicContact CG1-CG 4.15Å; V248-Y268 HydrophobicContact CG1-CG 4.29Å; V248-Y268 HydrophobicContact CG2-CD1 3.92Å; V248-Y268 HydrophobicContact CG2-CD2 3.85Å; V248-Y268 HydrophobicContact CG2-CE1 4.23Å; V248-Y268 HydrophobicContact CG2-CE2 4.19Å; V248-Y268 HydrophobicContact CG2-CG 3.72Å
249A95.3Very high91.5Very high18 Ų1845.6 Ų45.615%0.14926%0.263CS..SBendtrans-6888.2-176.900000111.8A255 A258 I262 P263 P265A249-A255 WeakPolarHBondContact CA-O 3.17Å; A249-A258 HydrophobicContact CB-CB 4.5Å; A249-I262 HydrophobicContact CB-CG2 4.15Å; A249-P263 PolarHBondContact N-O 2.69Å; A249-P265 VanDerWaalsContact O-CD 3.24Å; A249-P265 WeakPolarHBondContact O-CD 3.43Å; A249-P265 WeakPolarHBondContact O-CG 3.29Å
250T92.8Very high91.5Very high23 Ų2350.4 Ų50.414%0.14128%0.283CS..SBendtrans-136.3164.3-174.7610000110.4I69 V248 M252 S253 R254 P265I69-T250 HydrophobicContact CG1-CG2 4.4Å; V248-T250 HydrophobicContact CB-CG2 4.29Å; V248-T250 HydrophobicContact CG1-CG2 4.02Å; V248-T250 PolarHBondContact O-N 2.99Å; V248-T250 PolarHBondContact O-OG1 3.44Å; T250-M252 VanDerWaalsContact C-N 3.26Å; T250-M252 PolarHBondContact O-N 2.74Å; T250-S253 PolarHBondContact N-OG 3.02Å; T250-S253 PolarHBondContact O-N 3.48Å; T250-S253 PolarHBondContact O-OG 3.02Å; T250-S253 PolarHBondContact OG1-N 3.28Å; T250-S253 PolarHBondContact OG1-OG 3.14Å; T250-R254 PolarHBondContact O-N 3.23Å; T250-R254 VanDerWaalsContact O-N 3.13Å; T250-P265 HydrophobicContact CG2-CB 4.45Å; T250-P265 HydrophobicContact CG2-CG 3.72Å
251A90.4Very high91.4Very high71 Ų7154.3 Ų54.359%0.58730%0.3SS*.THydrogen-bonded Turntrans-57.9-39172.100000112.4R254A251-R254 PolarHBondContact O-N 3.34Å
252M88.2Confident91.3Very high96 Ų9656.6 Ų56.647%0.47331%0.312SS..THydrogen-bonded Turntrans-62.2-44.1179-177.5-176.9-74.700112.3G143 T250 R254G143-M252 WeakPolarHBondContact O-CE 3.42Å; T250-M252 VanDerWaalsContact C-N 3.26Å; T250-M252 PolarHBondContact O-N 2.74Å; M252-R254 VanDerWaalsContact C-N 3.3Å; M252-R254 PolarHBondContact O-N 3.36Å
253S84.6Confident91.2Very high33 Ų3357.2 Ų57.223%0.23132%0.316CS..THydrogen-bonded Turntrans-80-11.8-179.669.90000113.7V248 T250 A255V248-S253 WeakPolarHBondContact O-CB 3.21Å; V248-S253 PolarHBondContact O-OG 3.05Å; T250-S253 PolarHBondContact N-OG 3.02Å; T250-S253 PolarHBondContact O-N 3.48Å; T250-S253 PolarHBondContact O-OG 3.02Å; T250-S253 PolarHBondContact OG1-N 3.28Å; T250-S253 PolarHBondContact OG1-OG 3.14Å; S253-A255 PolarHBondContact O-N 3.13Å; S253-A255 PolarHBondContact OG-N 3.27Å
254R84Confident91.1Very high106 Ų10658.5 Ų58.540%0.433%0.325SS..THydrogen-bonded Turntrans55.917.9-174.1-52.8178.8-177.3161.43.4113.7P147 T250 A251 M252 Y318P147-R254 PolarHBondContact O-NH1 2.96Å; P147-R254 PolarHBondContact O-NH2 3.38Å; T250-R254 PolarHBondContact O-N 3.23Å; T250-R254 VanDerWaalsContact O-N 3.13Å; A251-R254 PolarHBondContact O-N 3.34Å; M252-R254 VanDerWaalsContact C-N 3.3Å; M252-R254 PolarHBondContact O-N 3.36Å; R254-Y318 VanDerWaalsContact CD-OH 3.26Å; R254-Y318 WeakPolarHBondContact CD-OH 3.47Å
255A76Confident91.1Very high24 Ų2459.9 Ų59.920%0.19833%0.334CS..  trans-87.7112.6174.200000108.8A249 S253 I262A249-A255 WeakPolarHBondContact CA-O 3.17Å; S253-A255 PolarHBondContact O-N 3.13Å; S253-A255 PolarHBondContact OG-N 3.27Å; A255-I262 HydrophobicContact CB-CG2 4.06Å
256S66.8Low91.1Very high115 Ų11566.5 Ų66.580%0.80436%0.358SS*.  trans-88.9-18.1-172.857.40000114.7
257K88.4Confident91.2Very high170 Ų17069.5 Ų69.574%0.73937%0.374SS*.SBendtrans-120.8125-176.3-66.8-171.6178.8-1750111.1
258A92.6Very high91.4Very high62 Ų6264.5 Ų64.551%0.51235%0.352SS..  trans-67.4144.7169.600000110.4A249 I262A249-A258 HydrophobicContact CB-CB 4.5Å; A258-I262 CarbonylContact C-O 3.51Å; A258-I262 WeakPolarHBondContact CA-O 3.39Å
259S94.9Very high91.5Very high63 Ų6364.3 Ų64.344%0.44135%0.351SS..BIsolated β-bridgetrans-150176.2173.168.70000108.9F261 I262S259-F261 VanDerWaalsContact C-N 3.26Å; S259-F261 PolarHBondContact O-N 3.16Å; S259-I262 PolarHBondContact N-O 2.89Å; S259-I262 CarbonylContact O-C 3.11Å; S259-I262 PolarHBondContact O-N 2.86Å; S259-I262 VanDerWaalsContact O-N 3.09Å; S259-I262 PolarHBondContact OG-N 3.26Å
260F94.7Very high91.6Very high124 Ų12468.6 Ų68.654%0.54437%0.366SS..THydrogen-bonded Turntrans-53.3-43.3178-179.3-103.6000112.8F286 A287F260-F286 HydrophobicContact CZ-CD1 4.01Å; F260-F286 HydrophobicContact CZ-CE1 4.28Å; F260-A287 HydrophobicContact CD1-CB 3.88Å; F260-A287 HydrophobicContact CE1-CB 3.64Å; F260-A287 HydrophobicContact CE2-CB 4.31Å; F260-A287 HydrophobicContact CG-CB 4.33Å; F260-A287 HydrophobicContact CZ-CB 3.88Å; F260-A287 WeakPolarHBondContact O-CB 3.44Å
261F94.8Very high91.9Very high87 Ų8768.6 Ų68.638%0.38237%0.367SS..THydrogen-bonded Turntrans-92.7-0.1-179.6-68.9-64.2000114.5S259 A287 L290 Q291S259-F261 VanDerWaalsContact C-N 3.26Å; S259-F261 PolarHBondContact O-N 3.16Å; F261-A287 HydrophobicContact CD1-CB 4Å; F261-A287 HydrophobicContact CE1-CB 4.46Å; F261-L290 HydrophobicContact CE1-CD2 4.38Å; F261-Q291 VanDerWaalsContact CD1-CD 3.44Å; F261-Q291 HydrophobicContact CD1-CG 3.46Å; F261-Q291 VanDerWaalsContact CD1-CG 3.46Å; F261-Q291 HydrophobicContact CE1-CG 3.81Å; F261-Q291 HydrophobicContact CG-CG 4.36Å
262I95.6Very high92.3Very high48 Ų4865.2 Ų65.225%0.24634%0.339CS..BIsolated β-bridgetrans-136.777.5175.1-53.7177.8000106.7F247 A249 A255 A258 S259F247-I262 HydrophobicContact CB-CG1 4.24Å; F247-I262 HydrophobicContact CB-CG2 4.35Å; F247-I262 WeakPolarHBondContact O-CA 3.31Å; A249-I262 HydrophobicContact CB-CG2 4.15Å; A255-I262 HydrophobicContact CB-CG2 4.06Å; A258-I262 CarbonylContact C-O 3.51Å; A258-I262 WeakPolarHBondContact CA-O 3.39Å; S259-I262 PolarHBondContact N-O 2.89Å; S259-I262 CarbonylContact O-C 3.11Å; S259-I262 PolarHBondContact O-N 2.86Å; S259-I262 VanDerWaalsContact O-N 3.09Å; S259-I262 PolarHBondContact OG-N 3.26Å
263P97Very high92.8Very high14 Ų1460.7 Ų60.79%0.09132%0.317CS..  trans-64.6159.2-173.827.3-35.1000111.8V248 A249 Y268 H288V248-P263 WeakPolarHBondContact CG1-O 3.48Å; V248-P263 HydrophobicContact CG2-CG 4.4Å; A249-P263 PolarHBondContact N-O 2.69Å; P263-Y268 HydrophobicContact CG-CD2 3.73Å; P263-Y268 HydrophobicContact CG-CG 4.26Å; P263-H288 VanDerWaalsContact CD-NE2 3.34Å; P263-H288 WeakPolarHBondContact CD-NE2 3.44Å
264S97.1Very high93.4Very high27 Ų2760.9 Ų60.919%0.18932%0.315CS..  trans-64.6154.7165.478.70000109.9R266 D267 Y268S264-R266 PolarHBondContact O-N 3.11Å; S264-D267 PolarHBondContact O-N 2.58Å; S264-D267 WeakPolarHBondContact OG-CB 3.48Å; S264-D267 PolarHBondContact OG-N 3.4Å; S264-D267 VanDerWaalsContact OG-N 3.11Å; S264-D267 PolarHBondContact OG-OD2 2.95Å; S264-Y268 VanDerWaalsContact O-CB 3.26Å; S264-Y268 WeakPolarHBondContact O-CB 3.29Å; S264-Y268 PolarHBondContact O-N 3.01Å
265P97.3Very high94.1Very high29 Ų2955.9 Ų55.919%0.18830%0.296CS..Hα-helixtrans-57.9-36.7177.2-2636.8000112.8G68 A72 V248 A249 T250 Y268 A269G68-P265 WeakPolarHBondContact O-CB 3.37Å; A72-P265 VanDerWaalsContact CB-C 3.41Å; A72-P265 HydrophobicContact CB-CB 3.9Å; A72-P265 WeakPolarHBondContact CB-O 3.36Å; V248-P265 HydrophobicContact CG1-CB 4.35Å; V248-P265 HydrophobicContact CG1-CG 4.15Å; A249-P265 VanDerWaalsContact O-CD 3.24Å; A249-P265 WeakPolarHBondContact O-CD 3.43Å; A249-P265 WeakPolarHBondContact O-CG 3.29Å; T250-P265 HydrophobicContact CG2-CB 4.45Å; T250-P265 HydrophobicContact CG2-CG 3.72Å; P265-Y268 PolarHBondContact O-N 3.36Å; P265-A269 WeakPolarHBondContact O-CB 2.97Å; P265-A269 PolarHBondContact O-N 2.65Å
266R96.8Very high95.1Very high147 Ų14754.7 Ų54.756%0.55529%0.287SS*.Hα-helixtrans-64.1-53.6177.7-174.2-180-178.5-176.62.2112.1E76 S264 Y268 A269 K270E76-R266 IonicContact OE1-NE 3.51Å; S264-R266 PolarHBondContact O-N 3.11Å; R266-Y268 PolarHBondContact O-N 3.17Å; R266-A269 PolarHBondContact O-N 3.27Å; R266-K270 VanDerWaalsContact O-CB 3.32Å; R266-K270 WeakPolarHBondContact O-CB 3.01Å; R266-K270 PolarHBondContact O-N 2.96Å
267D97.6Very high96.4Very high94 Ų9451 Ų5150%0.50327%0.267SS..Hα-helixtrans-62.2-37179.2-61.2-42.9000111S264 S271S264-D267 PolarHBondContact O-N 2.58Å; S264-D267 WeakPolarHBondContact OG-CB 3.48Å; S264-D267 PolarHBondContact OG-N 3.4Å; S264-D267 VanDerWaalsContact OG-N 3.11Å; S264-D267 PolarHBondContact OG-OD2 2.95Å; D267-S271 VanDerWaalsContact O-CB 3.26Å; D267-S271 WeakPolarHBondContact O-CB 3.44Å; D267-S271 PolarHBondContact O-N 3.16Å
268Y98.3Very high96.8Very high0 Ų044.2 Ų44.20%024%0.24CC..Hα-helixtrans-63.9-54.3176.6-173-101.3000112.2I69 V243 P245 V248 P263 S264 P265 R266 K270 S271 A272 T283 C285 H288I69-Y268 HydrophobicContact CD1-CD1 4.06Å; I69-Y268 HydrophobicContact CD1-CE1 4.01Å; I69-Y268 HydrophobicContact CG1-CD1 4.12Å; I69-Y268 HydrophobicContact CG2-CD1 4.27Å; I69-Y268 HydrophobicContact CG2-CE1 4.41Å; V243-Y268 HydrophobicContact CG1-CE1 4.19Å; V243-Y268 WeakPolarHBondContact CG1-OH 3.27Å; P245-Y268 WeakPolarHBondContact CA-OH 3.35Å; P245-Y268 HydrophobicContact CB-CE1 4.01Å; P245-Y268 HydrophobicContact CB-CE2 4.36Å; P245-Y268 VanDerWaalsContact CB-OH 3.3Å; P245-Y268 WeakPolarHBondContact CB-OH 3.32Å; P245-Y268 HydrophobicContact CG-CE1 3.77Å; P245-Y268 VanDerWaalsContact CG-OH 3.23Å; P245-Y268 WeakPolarHBondContact CG-OH 3.18Å; V248-Y268 HydrophobicContact CG1-CG 4.29Å; V248-Y268 HydrophobicContact CG2-CD1 3.92Å; V248-Y268 HydrophobicContact CG2-CD2 3.85Å; V248-Y268 HydrophobicContact CG2-CE1 4.23Å; V248-Y268 HydrophobicContact CG2-CE2 4.19Å; V248-Y268 HydrophobicContact CG2-CG 3.72Å; P263-Y268 HydrophobicContact CG-CD2 3.73Å; P263-Y268 HydrophobicContact CG-CG 4.26Å; S264-Y268 VanDerWaalsContact O-CB 3.26Å; S264-Y268 WeakPolarHBondContact O-CB 3.29Å; S264-Y268 PolarHBondContact O-N 3.01Å; P265-Y268 PolarHBondContact O-N 3.36Å; R266-Y268 PolarHBondContact O-N 3.17Å; Y268-K270 VanDerWaalsContact C-N 3.35Å; Y268-K270 PolarHBondContact O-N 3.26Å; Y268-S271 PolarHBondContact O-N 2.94Å; Y268-A272 VanDerWaalsContact O-CB 3.27Å; Y268-A272 WeakPolarHBondContact O-CB 3.16Å; Y268-A272 PolarHBondContact O-N 2.87Å; Y268-T283 VanDerWaalsContact CE2-O 3.26Å; Y268-T283 WeakPolarHBondContact CE2-O 3.28Å; Y268-T283 PolarHBondContact OH-O 3.42Å; Y268-C285 HydrophobicContact CD2-CB 4.21Å; Y268-C285 HydrophobicContact CE2-CB 4.4Å; Y268-H288 AromaticContact CE2-CE1 3.7Å; Y268-H288 AromaticContact CE2-ND1 3.39Å; Y268-H288 WeakPolarHBondContact CE2-ND1 3.4Å
269A98.5Very high96.9Very high0 Ų043 Ų430%022%0.223CC..Hα-helixtrans-61.2-42.9-179.900000111.7A72 Y73 E76 P265 R266 S271 A272 L273A72-A269 HydrophobicContact CB-CB 3.63Å; Y73-A269 HydrophobicContact CD2-CB 3.61Å; Y73-A269 HydrophobicContact CE2-CB 3.93Å; Y73-A269 HydrophobicContact CG-CB 4.19Å; E76-A269 HydrophobicContact CG-CB 4.33Å; P265-A269 WeakPolarHBondContact O-CB 2.97Å; P265-A269 PolarHBondContact O-N 2.65Å; R266-A269 PolarHBondContact O-N 3.27Å; A269-S271 PolarHBondContact O-N 3.44Å; A269-A272 PolarHBondContact O-N 3.44Å; A269-L273 WeakPolarHBondContact O-CB 3.43Å; A269-L273 WeakPolarHBondContact O-CG 3.5Å; A269-L273 PolarHBondContact O-N 3.36Å
270K98.3Very high96.9Very high108 Ų10844 Ų4447%0.4722%0.221SC..Hα-helixtrans-58.2-48.9175.6-177.9174.8-178.4176.30111.9R50 E76 R266 Y268 N274R50-K270 PolarHBondContact NH1-O 3.36Å; E76-K270 HydrophobicContact CG-CB 4.27Å; E76-K270 WeakPolarHBondContact OE2-CB 3.3Å; E76-K270 WeakPolarHBondContact OE2-CG 3.49Å; R266-K270 VanDerWaalsContact O-CB 3.32Å; R266-K270 WeakPolarHBondContact O-CB 3.01Å; R266-K270 PolarHBondContact O-N 2.96Å; Y268-K270 VanDerWaalsContact C-N 3.35Å; Y268-K270 PolarHBondContact O-N 3.26Å; K270-N274 PolarHBondContact O-N 3.29Å; K270-N274 PolarHBondContact O-ND2 2.98Å; K270-N274 PolarHBondContact O-OD1 3Å
271S98.4Very high97Very high23 Ų2341.4 Ų41.416%0.16121%0.21CC..Hα-helixtrans-64.3-43.3178.31790000111.5D267 Y268 A269 N274 M275 G284 C285D267-S271 VanDerWaalsContact O-CB 3.26Å; D267-S271 WeakPolarHBondContact O-CB 3.44Å; D267-S271 PolarHBondContact O-N 3.16Å; Y268-S271 PolarHBondContact O-N 2.94Å; A269-S271 PolarHBondContact O-N 3.44Å; S271-N274 WeakPolarHBondContact O-CB 3.48Å; S271-N274 PolarHBondContact O-N 3.28Å; S271-M275 PolarHBondContact O-N 3.38Å; S271-G284 CarbonylContact C-O 3.09Å; S271-G284 VanDerWaalsContact CB-O 3.25Å; S271-G284 WeakPolarHBondContact CB-O 3.25Å; S271-G284 PolarHBondContact OG-O 3.2Å; S271-C285 WeakPolarHBondContact OG-CA 3.39Å
272A98.6Very high97.1Very high0 Ų037.4 Ų37.40%019%0.192CC..Hα-helixtrans-67.5-42.2-176.800000111.8Y73 V243 Y268 A269 N274 M275 G284Y73-A272 WeakPolarHBondContact OH-CB 3.24Å; V243-A272 HydrophobicContact CG1-CB 4.06Å; Y268-A272 VanDerWaalsContact O-CB 3.27Å; Y268-A272 WeakPolarHBondContact O-CB 3.16Å; Y268-A272 PolarHBondContact O-N 2.87Å; A269-A272 PolarHBondContact O-N 3.44Å; A272-N274 VanDerWaalsContact C-N 3.28Å; A272-N274 PolarHBondContact O-N 3.26Å; A272-M275 WeakPolarHBondContact O-CB 2.9Å; A272-M275 PolarHBondContact O-N 2.94Å; A272-G284 VanDerWaalsContact CA-O 3.22Å; A272-G284 WeakPolarHBondContact CA-O 3.37Å; A272-G284 PolarHBondContact N-O 3.39Å
273L98.4Very high97.2Very high0 Ų035.6 Ų35.60%018%0.184CC..Hα-helixtrans-60.4-37.4172.5-78.4169000112.1R50 Y73 E76 L77 I196 A269 M275 L276R50-L273 WeakPolarHBondContact CB-O 3.26Å; R50-L273 HydrophobicContact CG-CB 4.11Å; Y73-L273 HydrophobicContact CD1-CD1 4.1Å; Y73-L273 HydrophobicContact CD1-CD2 3.84Å; Y73-L273 HydrophobicContact CD1-CG 3.88Å; Y73-L273 HydrophobicContact CE1-CD1 4.29Å; Y73-L273 HydrophobicContact CE1-CD2 3.54Å; Y73-L273 HydrophobicContact CE1-CG 3.57Å; E76-L273 HydrophobicContact CB-CD1 3.59Å; L77-L273 HydrophobicContact CD2-CD1 4.27Å; L77-L273 HydrophobicContact CD2-CD2 3.95Å; L77-L273 HydrophobicContact CG-CD1 4.23Å; L77-L273 HydrophobicContact CG-CD2 4.47Å; I196-L273 HydrophobicContact CD1-CD2 3.86Å; A269-L273 WeakPolarHBondContact O-CB 3.43Å; A269-L273 WeakPolarHBondContact O-CG 3.5Å; A269-L273 PolarHBondContact O-N 3.36Å; L273-M275 PolarHBondContact O-N 2.87Å; L273-L276 WeakPolarHBondContact O-CB 3.34Å; L273-L276 PolarHBondContact O-N 3.39Å
274N98Very high97.2Very high37 Ų3735 Ų3520%0.19818%0.179CC..Hα-helixtrans-64.5-19.2175.8-67.3-15.8000112.8S48 R50 K270 S271 A272 L276S48-N274 WeakPolarHBondContact CB-O 3.35Å; S48-N274 PolarHBondContact OG-O 2.96Å; R50-N274 WeakPolarHBondContact CD-OD1 3.39Å; R50-N274 PolarHBondContact NH1-OD1 3.33Å; R50-N274 VanDerWaalsContact NH1-OD1 3.12Å; K270-N274 PolarHBondContact O-N 3.29Å; K270-N274 PolarHBondContact O-ND2 2.98Å; K270-N274 PolarHBondContact O-OD1 3Å; S271-N274 WeakPolarHBondContact O-CB 3.48Å; S271-N274 PolarHBondContact O-N 3.28Å; A272-N274 VanDerWaalsContact C-N 3.28Å; A272-N274 PolarHBondContact O-N 3.26Å; N274-L276 VanDerWaalsContact C-N 3.35Å
275M98.1Very high97.3Very high1 Ų134.2 Ų34.21%0.00517%0.174CC..THydrogen-bonded Turntrans-85.5-4.7174.7-62.1-51.5-63.500113.5N39 Y40 R44 Q241 S271 A272 L273 G277 V278 E279 T282N39-M275 HydrophobicContact CB-CE 3.98Å; Y40-M275 HydrophobicContact CD1-CG 4.43Å; Y40-M275 HydrophobicContact CD1-SD 3.85Å; Y40-M275 HydrophobicContact CE1-CE 4.43Å; Y40-M275 HydrophobicContact CE1-CG 3.74Å; Y40-M275 HydrophobicContact CE1-SD 3.72Å; Y40-M275 HydrophobicContact CE2-CE 4.33Å; Y40-M275 HydrophobicContact CG-SD 4.36Å; R44-M275 HydrophobicContact CB-SD 4.19Å; Q241-M275 VanDerWaalsContact NE2-C 3.26Å; Q241-M275 PolarHBondContact NE2-O 3.46Å; Q241-M275 VanDerWaalsContact NE2-O 3.1Å; S271-M275 PolarHBondContact O-N 3.38Å; A272-M275 WeakPolarHBondContact O-CB 2.9Å; A272-M275 PolarHBondContact O-N 2.94Å; L273-M275 PolarHBondContact O-N 2.87Å; M275-G277 PolarHBondContact O-N 3.15Å; M275-V278 HydrophobicContact CE-CB 3.81Å; M275-V278 HydrophobicContact CE-CG1 3.59Å; M275-V278 WeakPolarHBondContact O-CB 3.49Å; M275-V278 PolarHBondContact O-N 3.48Å; M275-E279 HydrophobicContact CE-CB 4.28Å; M275-E279 HydrophobicContact CE-CG 3.77Å; M275-E279 PolarHBondContact O-N 2.89Å; M275-E279 VanDerWaalsContact O-N 3.08Å; M275-T282 HydrophobicContact CB-CG2 4.23Å
276L97Very high97.3Very high0 Ų036.4 Ų36.40%018%0.181CC..THydrogen-bonded Turntrans-59.6123.5177.8-174.767.4000110.8S48 K49 L53 A194 I196 I239 Q241 L273 N274 V278S48-L276 WeakPolarHBondContact CA-O 3.41Å; K49-L276 PolarHBondContact N-O 2.65Å; L53-L276 HydrophobicContact CD1-CD2 3.67Å; L53-L276 HydrophobicContact CD2-CD2 3.91Å; L53-L276 HydrophobicContact CG-CD2 3.84Å; A194-L276 HydrophobicContact CB-CD1 3.99Å; A194-L276 HydrophobicContact CB-CD2 4.06Å; I196-L276 HydrophobicContact CD1-CD1 4.25Å; I196-L276 HydrophobicContact CG1-CD1 4.23Å; I239-L276 HydrophobicContact CG2-CD1 3.95Å; Q241-L276 HydrophobicContact CB-CD1 3.96Å; L273-L276 WeakPolarHBondContact O-CB 3.34Å; L273-L276 PolarHBondContact O-N 3.39Å; N274-L276 VanDerWaalsContact C-N 3.35Å; L276-V278 PolarHBondContact O-N 3.13Å
277G94Very high97.3Very high37 Ų3729.7 Ų29.738%0.38116%0.156SC..THydrogen-bonded Turntrans77.8-6.5-174.700000115.2M275M275-G277 PolarHBondContact O-N 3.15Å
278V95.9Very high97.3Very high28 Ų2825.2 Ų25.217%0.1713%0.132CC..THydrogen-bonded Turntrans-91.7-46.2172.4-170.70000109.9N39 F47 M275 L276N39-V278 HydrophobicContact CB-CG1 4.39Å; F47-V278 HydrophobicContact CB-CG2 4.25Å; M275-V278 HydrophobicContact CE-CB 3.81Å; M275-V278 HydrophobicContact CE-CG1 3.59Å; M275-V278 WeakPolarHBondContact O-CB 3.49Å; M275-V278 PolarHBondContact O-N 3.48Å; L276-V278 PolarHBondContact O-N 3.13Å
279E95.3Very high97.3Very high35 Ų3525.5 Ų25.516%0.16414%0.135CC..  trans-132.1121.1177.2-72.1-170.3151.500109.9N39 Q241 M275 F281 T282N39-E279 PolarHBondContact ND2-OE1 3.41Å; Q241-E279 PolarHBondContact NE2-O 3.25Å; M275-E279 HydrophobicContact CE-CB 4.28Å; M275-E279 HydrophobicContact CE-CG 3.77Å; M275-E279 PolarHBondContact O-N 2.89Å; M275-E279 VanDerWaalsContact O-N 3.08Å; E279-F281 VanDerWaalsContact C-N 3.31Å; E279-T282 WeakPolarHBondContact OE2-CB 2.95Å; E279-T282 PolarHBondContact OE2-OG1 2.86Å
280E94.8Very high97.2Very high85 Ų8528 Ų2840%0.39715%0.148SC..SBendtrans-64.3-38.9170.2-170.8-169.290.600110.8S228 I240 Q241 T242S228-E280 WeakPolarHBondContact CB-OE2 3.25Å; S228-E280 PolarHBondContact OG-OE2 2.9Å; I240-E280 WeakPolarHBondContact O-CG 3.36Å; Q241-E280 CarbonylContact C-O 3.57Å; Q241-E280 WeakPolarHBondContact CA-O 3.43Å; T242-E280 PolarHBondContact N-O 2.89Å
281F96.8Very high97.1Very high70 Ų7025.2 Ų25.231%0.30714%0.137SC..EExtended strand (participates in β ladder)trans-122111.2177-169.8-80.5000109.3H221 T242 C244 E279H221-F281 HydrophobicContact CB-CE2 4.11Å; H221-F281 AromaticContact CG-CE2 3.85Å; T242-F281 HydrophobicContact CG2-CD2 4.02Å; T242-F281 HydrophobicContact CG2-CE2 3.96Å; T242-F281 WeakPolarHBondContact O-CA 3.23Å; C244-F281 HydrophobicContact CB-CE1 4.36Å; C244-F281 HydrophobicContact CB-CZ 4.25Å; C244-F281 WeakPolarHBondContact SG-CE2 3.33Å; C244-F281 WeakPolarHBondContact SG-CZ 3.42Å; E279-F281 VanDerWaalsContact C-N 3.31Å
282T97.7Very high96.9Very high2 Ų225.1 Ų25.11%0.01214%0.136CC..EExtended strand (participates in β ladder)trans-135.7154.7-172.8-167.90000112.1Y40 Q241 T242 V243 C244 M275 E279 G284Y40-T282 PolarHBondContact OH-OG1 3.17Å; Q241-T282 HydrophobicContact CG-CG2 4.45Å; T242-T282 PolarHBondContact O-N 3.47Å; V243-T282 CarbonylContact C-O 3.12Å; V243-T282 WeakPolarHBondContact CA-O 3.35Å; V243-T282 HydrophobicContact CB-CG2 4.49Å; V243-T282 HydrophobicContact CG1-CG2 4.47Å; V243-T282 HydrophobicContact CG2-CG2 4.02Å; C244-T282 PolarHBondContact N-O 2.98Å; M275-T282 HydrophobicContact CB-CG2 4.23Å; E279-T282 WeakPolarHBondContact OE2-CB 2.95Å; E279-T282 PolarHBondContact OE2-OG1 2.86Å; T282-G284 VanDerWaalsContact C-N 3.29Å; T282-G284 PolarHBondContact OG1-N 2.83Å
283T97.7Very high96.7Very high11 Ų1127 Ų277%0.06714%0.144CC..  trans-86.2-2.917057.40000113.1C244 L246 Y268 C285 A289C244-T283 WeakPolarHBondContact O-CA 3.4Å; L246-T283 HydrophobicContact CD1-CG2 4.35Å; Y268-T283 VanDerWaalsContact CE2-O 3.26Å; Y268-T283 WeakPolarHBondContact CE2-O 3.28Å; Y268-T283 PolarHBondContact OH-O 3.42Å; T283-C285 VanDerWaalsContact C-N 3.31Å; T283-C285 PolarHBondContact O-N 2.97Å; T283-A289 WeakPolarHBondContact OG1-CA 3.42Å; T283-A289 WeakPolarHBondContact OG1-CB 3.34Å; T283-A289 PolarHBondContact OG1-N 3.38Å
284G97.5Very high96.5Very high0 Ų030.4 Ų30.40%016%0.164CC..SBendtrans86.8-26.5171.500000115.2Y40 S271 A272 T282Y40-G284 PolarHBondContact OH-N 3.26Å; S271-G284 CarbonylContact C-O 3.09Å; S271-G284 VanDerWaalsContact CB-O 3.25Å; S271-G284 WeakPolarHBondContact CB-O 3.25Å; S271-G284 PolarHBondContact OG-O 3.2Å; A272-G284 VanDerWaalsContact CA-O 3.22Å; A272-G284 WeakPolarHBondContact CA-O 3.37Å; A272-G284 PolarHBondContact N-O 3.39Å; T282-G284 VanDerWaalsContact C-N 3.29Å; T282-G284 PolarHBondContact OG1-N 2.83Å
285C97.8Very high96.2Very high11 Ų1130.8 Ų30.87%0.07417%0.166CC..SBendtrans-143.9156.1174.775.10000113Y40 Y268 S271 T283 A287 H288 A289Y40-C285 VanDerWaalsContact CE1-CA 3.48Å; Y40-C285 VanDerWaalsContact CZ-C 3.48Å; Y40-C285 PolarHBondContact OH-N 2.9Å; Y268-C285 HydrophobicContact CD2-CB 4.21Å; Y268-C285 HydrophobicContact CE2-CB 4.4Å; S271-C285 WeakPolarHBondContact OG-CA 3.39Å; T283-C285 VanDerWaalsContact C-N 3.31Å; T283-C285 PolarHBondContact O-N 2.97Å; C285-A287 VanDerWaalsContact C-N 3.31Å; C285-A287 PolarHBondContact O-N 3.32Å; C285-H288 PolarHBondContact O-N 2.76Å; C285-H288 VanDerWaalsContact O-N 3.16Å; C285-A289 PolarHBondContact O-N 2.92Å
286F97.9Very high95.8Very high76 Ų7633.7 Ų33.733%0.33318%0.184SC..Hα-helixtrans-56.2-43.6-177177.8-108.8000112.6I36 Y40 F260 H288 A289 L290I36-F286 HydrophobicContact CG2-CD2 3.91Å; I36-F286 HydrophobicContact CG2-CE2 3.88Å; Y40-F286 HydrophobicContact CD1-CB 3.94Å; Y40-F286 HydrophobicContact CD2-CB 4.43Å; Y40-F286 HydrophobicContact CD2-CD2 4.19Å; Y40-F286 VanDerWaalsContact CE1-N 3.29Å; Y40-F286 HydrophobicContact CG-CB 3.87Å; Y40-F286 HydrophobicContact CG-CD2 4.07Å; Y40-F286 HydrophobicContact CG-CG 4.48Å; F260-F286 HydrophobicContact CZ-CD1 4.01Å; F260-F286 HydrophobicContact CZ-CE1 4.28Å; F286-H288 PolarHBondContact O-N 2.82Å; F286-A289 WeakPolarHBondContact O-CB 3.3Å; F286-A289 PolarHBondContact O-N 3.3Å; F286-A289 VanDerWaalsContact O-N 3.16Å; F286-L290 PolarHBondContact O-N 3.5Å
287A97.4Very high95.5Very high5 Ų535.3 Ų35.34%0.04120%0.195CC..Hα-helixtrans-62-43179.200000112.4F260 F261 C285 L290 Q291F260-A287 HydrophobicContact CD1-CB 3.88Å; F260-A287 HydrophobicContact CE1-CB 3.64Å; F260-A287 HydrophobicContact CE2-CB 4.31Å; F260-A287 HydrophobicContact CG-CB 4.33Å; F260-A287 HydrophobicContact CZ-CB 3.88Å; F260-A287 WeakPolarHBondContact O-CB 3.44Å; F261-A287 HydrophobicContact CD1-CB 4Å; F261-A287 HydrophobicContact CE1-CB 4.46Å; C285-A287 VanDerWaalsContact C-N 3.31Å; C285-A287 PolarHBondContact O-N 3.32Å; A287-L290 PolarHBondContact O-N 3.39Å; A287-Q291 WeakPolarHBondContact O-CG 3.09Å; A287-Q291 PolarHBondContact O-N 3.3Å
288H97.7Very high95.2Very high0 Ų037 Ų370%020%0.195CC..Hα-helixtrans-68-35174.9-74.9-172.8000112.2L246 F247 P263 Y268 C285 F286 L290 Q291 S292L246-H288 HydrophobicContact CD1-CB 3.71Å; L246-H288 PolarHBondContact N-CE1 3.46Å; L246-H288 PolarHBondContact N-ND1 3.43Å; F247-H288 PolarHBondContact O-NE2 2.89Å; P263-H288 VanDerWaalsContact CD-NE2 3.34Å; P263-H288 WeakPolarHBondContact CD-NE2 3.44Å; Y268-H288 AromaticContact CE2-CE1 3.7Å; Y268-H288 AromaticContact CE2-ND1 3.39Å; Y268-H288 WeakPolarHBondContact CE2-ND1 3.4Å; C285-H288 PolarHBondContact O-N 2.76Å; C285-H288 VanDerWaalsContact O-N 3.16Å; F286-H288 PolarHBondContact O-N 2.82Å; H288-L290 VanDerWaalsContact C-N 3.35Å; H288-Q291 PolarHBondContact CD2-OE1 3.35Å; H288-Q291 VanDerWaalsContact CD2-OE1 3.27Å; H288-Q291 PolarHBondContact O-N 3.37Å; H288-S292 VanDerWaalsContact O-CB 3.27Å; H288-S292 WeakPolarHBondContact O-CB 3.32Å; H288-S292 PolarHBondContact O-N 3.45Å
289A97.7Very high94.9Very high7 Ų738.8 Ų38.86%0.05821%0.208CC..Hα-helixtrans-62.8-42.3174.600000111.3I36 Y40 T283 C285 F286 S292 Y293I36-A289 HydrophobicContact CD1-CB 4.46Å; I36-A289 HydrophobicContact CG1-CB 4.37Å; I36-A289 HydrophobicContact CG2-CB 3.66Å; Y40-A289 HydrophobicContact CD2-CB 4.28Å; Y40-A289 HydrophobicContact CE2-CB 3.57Å; T283-A289 WeakPolarHBondContact OG1-CA 3.42Å; T283-A289 WeakPolarHBondContact OG1-CB 3.34Å; T283-A289 PolarHBondContact OG1-N 3.38Å; C285-A289 PolarHBondContact O-N 2.92Å; F286-A289 WeakPolarHBondContact O-CB 3.3Å; F286-A289 PolarHBondContact O-N 3.3Å; F286-A289 VanDerWaalsContact O-N 3.16Å; A289-S292 PolarHBondContact O-N 2.89Å; A289-Y293 WeakPolarHBondContact O-CB 3.41Å; A289-Y293 PolarHBondContact O-N 3.46Å
290L96.8Very high94.6Very high51 Ų5141.3 Ų41.327%0.26722%0.221SC..Hα-helixtrans-64.5-43.7174.1-176.961.1000112.1L33 F261 F286 A287 H288 Y293 V294L33-L290 HydrophobicContact CD1-CD1 4.17Å; F261-L290 HydrophobicContact CE1-CD2 4.38Å; F286-L290 PolarHBondContact O-N 3.5Å; A287-L290 PolarHBondContact O-N 3.39Å; H288-L290 VanDerWaalsContact C-N 3.35Å; L290-Y293 HydrophobicContact CD1-CD1 4.38Å; L290-Y293 WeakPolarHBondContact O-CB 3.37Å; L290-Y293 PolarHBondContact O-N 2.94Å; L290-V294 WeakPolarHBondContact O-CG2 3.45Å; L290-V294 PolarHBondContact O-N 2.83Å
291Q95Very high94.3Very high50 Ų5040.4 Ų40.423%0.23422%0.224CC..Hα-helixtrans-61.8-45.8175.4-73.4174.1-62.500111.8L246 F261 A287 H288 Y293 V294 L295L246-Q291 HydrophobicContact CD2-CB 3.66Å; L246-Q291 HydrophobicContact CD2-CG 4.45Å; F261-Q291 VanDerWaalsContact CD1-CD 3.44Å; F261-Q291 HydrophobicContact CD1-CG 3.46Å; F261-Q291 VanDerWaalsContact CD1-CG 3.46Å; F261-Q291 HydrophobicContact CE1-CG 3.81Å; F261-Q291 HydrophobicContact CG-CG 4.36Å; A287-Q291 WeakPolarHBondContact O-CG 3.09Å; A287-Q291 PolarHBondContact O-N 3.3Å; H288-Q291 PolarHBondContact CD2-OE1 3.35Å; H288-Q291 VanDerWaalsContact CD2-OE1 3.27Å; H288-Q291 PolarHBondContact O-N 3.37Å; Q291-Y293 VanDerWaalsContact C-N 3.32Å; Q291-Y293 PolarHBondContact O-N 2.71Å; Q291-V294 PolarHBondContact O-N 2.94Å; Q291-L295 WeakPolarHBondContact O-CB 3.45Å; Q291-L295 VanDerWaalsContact O-CG 3.25Å; Q291-L295 WeakPolarHBondContact O-CG 3.37Å; Q291-L295 PolarHBondContact O-N 3.39Å
292S94.9Very high93.8Very high22 Ų2244.8 Ų44.815%0.15424%0.239CC..Hα-helixtrans-60.5-42.4175.91740000111.3F201 H288 A289 V294 L295 T296F201-S292 VanDerWaalsContact CE2-OG 3.29Å; F201-S292 WeakPolarHBondContact CE2-OG 2.89Å; H288-S292 VanDerWaalsContact O-CB 3.27Å; H288-S292 WeakPolarHBondContact O-CB 3.32Å; H288-S292 PolarHBondContact O-N 3.45Å; A289-S292 PolarHBondContact O-N 2.89Å; S292-V294 PolarHBondContact O-N 2.94Å; S292-L295 PolarHBondContact O-N 3.31Å; S292-T296 WeakPolarHBondContact O-CB 3.32Å; S292-T296 VanDerWaalsContact O-CG2 3.3Å; S292-T296 WeakPolarHBondContact O-CG2 3.5Å; S292-T296 PolarHBondContact O-N 2.86Å; S292-T296 PolarHBondContact O-OG1 3.46Å
293Y94.8Very high93.3Very high39 Ų3945.3 Ų45.315%0.15324%0.242CC..Hα-helixtrans-56.9-50.4174.4170.5-100.7000111.6Y29 R32 L33 I36 A289 L290 Q291 T296 S297Y29-Y293 HydrophobicContact CD1-CE2 4.31Å; Y29-Y293 VanDerWaalsContact O-CE2 3.31Å; Y29-Y293 WeakPolarHBondContact O-CE2 3.43Å; Y29-Y293 PolarHBondContact O-OH 3.22Å; R32-Y293 HydrophobicContact CB-CD2 4.18Å; R32-Y293 HydrophobicContact CB-CE2 4.02Å; L33-Y293 HydrophobicContact CB-CE1 4.49Å; L33-Y293 HydrophobicContact CB-CE2 4.24Å; L33-Y293 HydrophobicContact CD1-CD1 4.37Å; L33-Y293 HydrophobicContact CD1-CE1 4.33Å; I36-Y293 HydrophobicContact CD1-CD2 4.28Å; I36-Y293 HydrophobicContact CD1-CG 4.2Å; A289-Y293 WeakPolarHBondContact O-CB 3.41Å; A289-Y293 PolarHBondContact O-N 3.46Å; L290-Y293 HydrophobicContact CD1-CD1 4.38Å; L290-Y293 WeakPolarHBondContact O-CB 3.37Å; L290-Y293 PolarHBondContact O-N 2.94Å; Q291-Y293 VanDerWaalsContact C-N 3.32Å; Q291-Y293 PolarHBondContact O-N 2.71Å; Y293-T296 PolarHBondContact O-OG1 3.33Å; Y293-S297 WeakPolarHBondContact O-CB 3.43Å; Y293-S297 PolarHBondContact O-N 2.94Å; Y293-S297 VanDerWaalsContact O-N 3.15Å; Y293-S297 PolarHBondContact O-OG 3.3Å
294V93.2Very high92.8Very high72 Ų7247.4 Ų47.444%0.43625%0.249SC..Hα-helixtrans-62.1-49.8177.8174.30000111.1L290 Q291 S292 T296 S297 L298L290-V294 WeakPolarHBondContact O-CG2 3.45Å; L290-V294 PolarHBondContact O-N 2.83Å; Q291-V294 PolarHBondContact O-N 2.94Å; S292-V294 PolarHBondContact O-N 2.94Å; V294-T296 VanDerWaalsContact C-N 3.31Å; V294-T296 PolarHBondContact O-N 3.01Å; V294-S297 PolarHBondContact O-N 3.48Å; V294-S297 VanDerWaalsContact O-N 3.13Å; V294-L298 HydrophobicContact CG1-CD1 4.38Å; V294-L298 WeakPolarHBondContact O-CG 3.29Å; V294-L298 PolarHBondContact O-N 3.21Å
295L91.3Very high92.2Very high45 Ų4551.5 Ų51.524%0.23627%0.271CS..Hα-helixtrans-64.6-34.6-176-69.7171000112.8F201 L246 Q291 S292 S297 V303F201-L295 HydrophobicContact CD1-CD1 4.32Å; F201-L295 HydrophobicContact CE1-CB 4.12Å; F201-L295 HydrophobicContact CE1-CD1 3.51Å; F201-L295 HydrophobicContact CE1-CG 4.46Å; F201-L295 HydrophobicContact CZ-CB 3.84Å; F201-L295 HydrophobicContact CZ-CD1 3.97Å; L246-L295 HydrophobicContact CD2-CD1 4.11Å; Q291-L295 WeakPolarHBondContact O-CB 3.45Å; Q291-L295 VanDerWaalsContact O-CG 3.25Å; Q291-L295 WeakPolarHBondContact O-CG 3.37Å; Q291-L295 PolarHBondContact O-N 3.39Å; S292-L295 PolarHBondContact O-N 3.31Å; L295-S297 VanDerWaalsContact C-N 3.33Å; L295-V303 HydrophobicContact CD2-CG1 4.41Å; L295-V303 WeakPolarHBondContact O-CG2 3.23Å
296T90.9Very high91.5Very high61 Ų6157.3 Ų57.337%0.37430%0.295SS..Hα-helixtrans-85.3-3.7177.859.80000113.8R32 F201 S292 Y293 V294R32-T296 PolarHBondContact NH2-OG1 3.48Å; F201-T296 HydrophobicContact CE2-CG2 4.22Å; F201-T296 HydrophobicContact CZ-CG2 4.21Å; S292-T296 WeakPolarHBondContact O-CB 3.32Å; S292-T296 VanDerWaalsContact O-CG2 3.3Å; S292-T296 WeakPolarHBondContact O-CG2 3.5Å; S292-T296 PolarHBondContact O-N 2.86Å; S292-T296 PolarHBondContact O-OG1 3.46Å; Y293-T296 PolarHBondContact O-OG1 3.33Å; V294-T296 VanDerWaalsContact C-N 3.31Å; V294-T296 PolarHBondContact O-N 3.01Å
297S89.8Confident90.9Very high34 Ų3455.2 Ų55.224%0.23829%0.286CS..Hα-helixtrans-97.5-11.9174.1-55.70000112.7Y29 Y293 V294 L295Y29-S297 WeakPolarHBondContact CD1-OG 3.33Å; Y29-S297 VanDerWaalsContact CE1-OG 3.3Å; Y29-S297 WeakPolarHBondContact CE1-OG 3.28Å; Y293-S297 WeakPolarHBondContact O-CB 3.43Å; Y293-S297 PolarHBondContact O-N 2.94Å; Y293-S297 VanDerWaalsContact O-N 3.15Å; Y293-S297 PolarHBondContact O-OG 3.3Å; V294-S297 PolarHBondContact O-N 3.48Å; V294-S297 VanDerWaalsContact O-N 3.13Å; L295-S297 VanDerWaalsContact C-N 3.33Å
298L88.5Confident90.2Very high72 Ų7260.3 Ų60.338%0.37731%0.307SS..SBendtrans-90.3151.1177.9-65.9173.6000111.1V294 L300 W302 V303V294-L298 HydrophobicContact CG1-CD1 4.38Å; V294-L298 WeakPolarHBondContact O-CG 3.29Å; V294-L298 PolarHBondContact O-N 3.21Å; L298-L300 PolarHBondContact O-N 3.39Å; L298-W302 HydrophobicContact CD2-CE3 4.31Å; L298-V303 HydrophobicContact CB-CG2 3.95Å
299P89.9Confident89.6Confident67 Ų6767.6 Ų67.644%0.43534%0.338SS..  trans-53.6135.5168.5-24.834.2000111.1S301 W302 V303P299-S301 PolarHBondContact O-N 3.38Å; P299-S301 VanDerWaalsContact O-N 3.16Å; P299-W302 HydrophobicContact CB-CG 4.33Å; P299-W302 HydrophobicContact CG-CD2 4.38Å; P299-W302 HydrophobicContact CG-CG 4.49Å; P299-W302 WeakPolarHBondContact O-CB 3.47Å; P299-W302 PolarHBondContact O-N 3.3Å; P299-V303 PolarHBondContact O-N 3.41Å
300L87.8Confident89Confident87 Ų8771.4 Ų71.446%0.45536%0.357SS..Hα-helixtrans-58.3-33.7-174.6-172.959.3000112.8L205 L298 W302 V303 Y304L205-L300 HydrophobicContact CB-CD1 4.39Å; L298-L300 PolarHBondContact O-N 3.39Å; L300-W302 VanDerWaalsContact C-N 3.34Å; L300-W302 PolarHBondContact O-N 2.84Å; L300-V303 PolarHBondContact O-N 2.93Å; L300-Y304 HydrophobicContact CD1-CD1 4.24Å; L300-Y304 HydrophobicContact CD1-CE1 3.52Å; L300-Y304 HydrophobicContact CD1-CE2 4.29Å; L300-Y304 HydrophobicContact CD2-CE2 4.03Å; L300-Y304 VanDerWaalsContact CD2-OH 3.25Å; L300-Y304 WeakPolarHBondContact CD2-OH 2.98Å; L300-Y304 HydrophobicContact CG-CD1 4.48Å; L300-Y304 HydrophobicContact CG-CD2 4.3Å; L300-Y304 HydrophobicContact CG-CE1 3.83Å; L300-Y304 HydrophobicContact CG-CE2 3.64Å; L300-Y304 WeakPolarHBondContact CG-OH 2.96Å; L300-Y304 VanDerWaalsContact O-CG 3.24Å; L300-Y304 PolarHBondContact O-N 3.37Å
301S88.4Confident88.3Confident66 Ų6669 Ų6946%0.46234%0.344SS..Hα-helixtrans-58.1-43173.652.40000112.6P299 Y304 D305P299-S301 PolarHBondContact O-N 3.38Å; P299-S301 VanDerWaalsContact O-N 3.16Å; S301-Y304 WeakPolarHBondContact O-CB 3.49Å; S301-Y304 PolarHBondContact O-N 2.84Å; S301-D305 PolarHBondContact O-N 3.06Å
302W87.7Confident87.8Confident163 Ų16368 Ų6862%0.61734%0.344SS*.Hα-helixtrans-68.3-38.7179.1-6916.9000111.6L298 P299 L300 Y304 D305 K306L298-W302 HydrophobicContact CD2-CE3 4.31Å; P299-W302 HydrophobicContact CB-CG 4.33Å; P299-W302 HydrophobicContact CG-CD2 4.38Å; P299-W302 HydrophobicContact CG-CG 4.49Å; P299-W302 WeakPolarHBondContact O-CB 3.47Å; P299-W302 PolarHBondContact O-N 3.3Å; L300-W302 VanDerWaalsContact C-N 3.34Å; L300-W302 PolarHBondContact O-N 2.84Å; W302-Y304 VanDerWaalsContact C-N 3.31Å; W302-D305 PolarHBondContact O-N 3.35Å; W302-K306 PolarHBondContact O-N 3.34Å; W302-K306 VanDerWaalsContact O-N 3.11Å
303V87.2Confident87.2Confident13 Ų1374.4 Ų74.48%0.07937%0.37CS..Hα-helixtrans-61.7-43.6174.4-179.70000110L205 L295 L298 P299 L300 K306 Y307L205-V303 HydrophobicContact CD1-CG1 4.4Å; L295-V303 HydrophobicContact CD2-CG1 4.41Å; L295-V303 WeakPolarHBondContact O-CG2 3.23Å; L298-V303 HydrophobicContact CB-CG2 3.95Å; P299-V303 PolarHBondContact O-N 3.41Å; L300-V303 PolarHBondContact O-N 2.93Å; V303-K306 PolarHBondContact O-N 3.44Å; V303-Y307 WeakPolarHBondContact O-CB 3.26Å; V303-Y307 PolarHBondContact O-N 3.41Å
304Y86.1Confident86.5Confident54 Ų5473.5 Ų73.521%0.21237%0.37CS..Hα-helixtrans-64.1-43.9177.3-67.5-18.2000113.6L205 P206 L300 S301 W302 K306 Y307 K308L205-Y304 HydrophobicContact CD1-CE1 4.39Å; P206-Y304 HydrophobicContact CB-CE1 4.43Å; P206-Y304 WeakPolarHBondContact CB-OH 3.3Å; P206-Y304 WeakPolarHBondContact CD-OH 3.26Å; P206-Y304 WeakPolarHBondContact CG-OH 3.18Å; P206-Y304 WeakPolarHBondContact O-CE1 3.39Å; L300-Y304 HydrophobicContact CD1-CD1 4.24Å; L300-Y304 HydrophobicContact CD1-CE1 3.52Å; L300-Y304 HydrophobicContact CD1-CE2 4.29Å; L300-Y304 HydrophobicContact CD2-CE2 4.03Å; L300-Y304 VanDerWaalsContact CD2-OH 3.25Å; L300-Y304 WeakPolarHBondContact CD2-OH 2.98Å; L300-Y304 HydrophobicContact CG-CD1 4.48Å; L300-Y304 HydrophobicContact CG-CD2 4.3Å; L300-Y304 HydrophobicContact CG-CE1 3.83Å; L300-Y304 HydrophobicContact CG-CE2 3.64Å; L300-Y304 WeakPolarHBondContact CG-OH 2.96Å; L300-Y304 VanDerWaalsContact O-CG 3.24Å; L300-Y304 PolarHBondContact O-N 3.37Å; S301-Y304 WeakPolarHBondContact O-CB 3.49Å; S301-Y304 PolarHBondContact O-N 2.84Å; W302-Y304 VanDerWaalsContact C-N 3.31Å; Y304-K306 VanDerWaalsContact C-N 3.3Å; Y304-K306 PolarHBondContact O-N 3.44Å; Y304-Y307 PolarHBondContact O-N 3.15Å; Y304-K308 WeakPolarHBondContact O-CB 3.15Å; Y304-K308 WeakPolarHBondContact O-CG 3.37Å; Y304-K308 PolarHBondContact O-N 2.8Å
305D84.7Confident85.7Confident87 Ų8773.6 Ų73.647%0.46536%0.363SS..Hα-helixtrans-62.2-42.2178.5-72.6-19.8000111.1S301 W302 K309S301-D305 PolarHBondContact O-N 3.06Å; W302-D305 PolarHBondContact O-N 3.35Å; D305-K309 WeakPolarHBondContact O-CB 3.47Å; D305-K309 VanDerWaalsContact O-CG 3.24Å; D305-K309 WeakPolarHBondContact O-CG 3.42Å; D305-K309 PolarHBondContact O-N 3.1Å
306K84.8Confident85.1Confident132 Ų13280 Ų8057%0.57438%0.384SS*.Hα-helixtrans-64.5-42.8174.5-168.3172.3-175.7176.20111.5W302 V303 Y304 K309 I310W302-K306 PolarHBondContact O-N 3.34Å; W302-K306 VanDerWaalsContact O-N 3.11Å; V303-K306 PolarHBondContact O-N 3.44Å; Y304-K306 VanDerWaalsContact C-N 3.3Å; Y304-K306 PolarHBondContact O-N 3.44Å; K306-K309 PolarHBondContact O-N 3Å; K306-I310 HydrophobicContact CG-CD1 4.28Å; K306-I310 WeakPolarHBondContact O-CG1 3.45Å; K306-I310 PolarHBondContact O-N 3.26Å
307Y84.9Confident84.2Confident33 Ų3384.8 Ų84.813%0.12940%0.399CS..Hα-helixtrans-61.6-49.4177.8-171-78.7000111.7F149 L202 P208 N210 V303 Y304 K309 I310 A311F149-Y307 HydrophobicContact CD1-CE1 4.42Å; F149-Y307 WeakPolarHBondContact CE1-OH 3.47Å; L202-Y307 HydrophobicContact CD2-CE2 3.72Å; P208-Y307 HydrophobicContact CG-CD1 3.97Å; P208-Y307 HydrophobicContact CG-CE1 4.42Å; P208-Y307 WeakPolarHBondContact O-CE1 3.49Å; N210-Y307 PolarHBondContact ND2-OH 2.91Å; V303-Y307 WeakPolarHBondContact O-CB 3.26Å; V303-Y307 PolarHBondContact O-N 3.41Å; Y304-Y307 PolarHBondContact O-N 3.15Å; Y307-K309 VanDerWaalsContact C-N 3.28Å; Y307-K309 PolarHBondContact O-N 2.8Å; Y307-I310 PolarHBondContact O-N 3.09Å; Y307-I310 VanDerWaalsContact O-N 3.1Å; Y307-A311 HydrophobicContact CE1-CB 4.33Å; Y307-A311 WeakPolarHBondContact O-CB 3.18Å; Y307-A311 PolarHBondContact O-N 3.11Å
308K83.1Confident83Confident111 Ų11187.8 Ų87.848%0.48341%0.406SS..Hα-helixtrans-59.1-39.2177.4-75.2179.8179.1178.20111.6P208 Y304 A311 A312P208-K308 HydrophobicContact CG-CG 4.46Å; Y304-K308 WeakPolarHBondContact O-CB 3.15Å; Y304-K308 WeakPolarHBondContact O-CG 3.37Å; Y304-K308 PolarHBondContact O-N 2.8Å; K308-A311 PolarHBondContact O-N 2.83Å; K308-A312 VanDerWaalsContact O-CB 3.28Å; K308-A312 WeakPolarHBondContact O-CB 3.41Å; K308-A312 PolarHBondContact O-N 3.46Å
309K85.1Confident81.6Confident154 Ų15494.3 Ų94.367%0.6744%0.435SS*.Hα-helixtrans-62.5-44173.7-74.3171.2-176.9176.80112.1D305 K306 Y307 A312 K313D305-K309 WeakPolarHBondContact O-CB 3.47Å; D305-K309 VanDerWaalsContact O-CG 3.24Å; D305-K309 WeakPolarHBondContact O-CG 3.42Å; D305-K309 PolarHBondContact O-N 3.1Å; K306-K309 PolarHBondContact O-N 3Å; Y307-K309 VanDerWaalsContact C-N 3.28Å; Y307-K309 PolarHBondContact O-N 2.8Å; K309-A312 PolarHBondContact O-N 3.19Å; K309-K313 PolarHBondContact O-N 3.34Å
310I83.4Confident81.2Confident87 Ų8795.7 Ų95.745%0.44644%0.435SS..Hα-helixtrans-63.5-47.9175.7-67.9165.7000110.5K306 Y307 A312 K313 A314K306-I310 HydrophobicContact CG-CD1 4.28Å; K306-I310 WeakPolarHBondContact O-CG1 3.45Å; K306-I310 PolarHBondContact O-N 3.26Å; Y307-I310 PolarHBondContact O-N 3.09Å; Y307-I310 VanDerWaalsContact O-N 3.1Å; I310-A312 VanDerWaalsContact C-N 3.33Å; I310-A312 PolarHBondContact O-N 3.41Å; I310-K313 PolarHBondContact O-N 3.23Å; I310-K313 VanDerWaalsContact O-N 3.15Å; I310-A314 WeakPolarHBondContact O-CB 3.44Å; I310-A314 PolarHBondContact O-N 3.42Å
311A82.6Confident80.9Confident0 Ų096.1 Ų96.10%043%0.433CS..Hα-helixtrans-59-42.4176.900000112F149 C209 Y307 K308 A314 R315F149-A311 HydrophobicContact CB-CB 3.77Å; F149-A311 HydrophobicContact CD1-CB 4.19Å; F149-A311 HydrophobicContact CG-CB 4.16Å; C209-A311 HydrophobicContact CB-CB 4.2Å; Y307-A311 HydrophobicContact CE1-CB 4.33Å; Y307-A311 WeakPolarHBondContact O-CB 3.18Å; Y307-A311 PolarHBondContact O-N 3.11Å; K308-A311 PolarHBondContact O-N 2.83Å; A311-A314 PolarHBondContact O-N 2.95Å; A311-R315 WeakPolarHBondContact O-CG 3.37Å; A311-R315 PolarHBondContact O-N 3.16Å
312A84.1Confident80.4Confident29 Ų2997.8 Ų97.824%0.2443%0.432CS..Hα-helixtrans-66.2-36.7175.400000112.9K308 K309 I310 R316K308-A312 VanDerWaalsContact O-CB 3.28Å; K308-A312 WeakPolarHBondContact O-CB 3.41Å; K308-A312 PolarHBondContact O-N 3.46Å; K309-A312 PolarHBondContact O-N 3.19Å; I310-A312 VanDerWaalsContact C-N 3.33Å; I310-A312 PolarHBondContact O-N 3.41Å; A312-R316 WeakPolarHBondContact O-CG 3.45Å; A312-R316 PolarHBondContact O-N 3.13Å; A312-R316 PolarHBondContact O-NE 2.77Å
313K83.7Confident80Confident157 Ų15793.9 Ų93.968%0.68342%0.421SS*.Hα-helixtrans-68.3-40.1173.6-172.9176.7-179.7177.20111.6K309 I310 K317K309-K313 PolarHBondContact O-N 3.34Å; I310-K313 PolarHBondContact O-N 3.23Å; I310-K313 VanDerWaalsContact O-N 3.15Å; K313-K317 PolarHBondContact O-N 3.48Å
314A79.5Confident79.6Confident20 Ų2099 Ų9917%0.16544%0.442CS..Hα-helixtrans-64.7-46.4177.100000111.4F149 I310 A311 R316 K317 Y318F149-A314 HydrophobicContact CD2-CB 3.56Å; F149-A314 HydrophobicContact CE2-CB 3.96Å; F149-A314 HydrophobicContact CG-CB 4.46Å; I310-A314 WeakPolarHBondContact O-CB 3.44Å; I310-A314 PolarHBondContact O-N 3.42Å; A311-A314 PolarHBondContact O-N 2.95Å; A314-R316 VanDerWaalsContact C-N 3.33Å; A314-R316 PolarHBondContact O-N 3.04Å; A314-K317 WeakPolarHBondContact O-CB 3.37Å; A314-K317 PolarHBondContact O-N 3.35Å; A314-Y318 WeakPolarHBondContact O-CD2 3.28Å
315R76.3Confident79.1Confident73 Ų73102 Ų10228%0.27546%0.458SS..Hα-helixtrans-51.9-48.8174.8-80.8-176.8-81.7177.2-0.9112.6F149 E150 A311 K317 Y318 Q319F149-R315 WeakPolarHBondContact O-CD 3.49Å; F149-R315 WeakPolarHBondContact O-CG 3.24Å; F149-R315 PolarHBondContact O-NE 3.08Å; E150-R315 HydrophobicContact CG-CG 4.44Å; A311-R315 WeakPolarHBondContact O-CG 3.37Å; A311-R315 PolarHBondContact O-N 3.16Å; R315-K317 PolarHBondContact O-N 3.31Å; R315-K317 VanDerWaalsContact O-N 3.13Å; R315-Y318 PolarHBondContact O-N 3.39Å; R315-Y318 VanDerWaalsContact O-N 3.08Å; R315-Q319 PolarHBondContact O-N 2.96Å; R315-Q319 VanDerWaalsContact O-N 3.16Å
316R77.8Confident78.7Confident179 Ų179103.1 Ų103.168%0.67546%0.457SS*.Hα-helixtrans-62.3-17.8179.1-76.2-174.1-78.1-177.1-4.7115A312 A314A312-R316 WeakPolarHBondContact O-CG 3.45Å; A312-R316 PolarHBondContact O-N 3.13Å; A312-R316 PolarHBondContact O-NE 2.77Å; A314-R316 VanDerWaalsContact C-N 3.33Å; A314-R316 PolarHBondContact O-N 3.04Å
317K71.8Confident78.2Confident162 Ų162100.8 Ų100.870%0.70445%0.448SS*.Hα-helixtrans-85.8-18.8177.8-167.3-178.7173.9-175.40112.5K313 A314 R315K313-K317 PolarHBondContact O-N 3.48Å; A314-K317 WeakPolarHBondContact O-CB 3.37Å; A314-K317 PolarHBondContact O-N 3.35Å; R315-K317 PolarHBondContact O-N 3.31Å; R315-K317 VanDerWaalsContact O-N 3.13Å
318Y64.6Low77.7Confident98 Ų98106.5 Ų106.538%0.38448%0.475SS..Hα-helixtrans-116-3.9-173.5-65.1-69.4000113.8Y148 R254 A314 R315Y148-Y318 HydrophobicContact CD1-CD2 4.29Å; Y148-Y318 HydrophobicContact CD1-CG 4.06Å; Y148-Y318 HydrophobicContact CE1-CD1 4.31Å; Y148-Y318 AromaticContact CE1-CG 3.99Å; Y148-Y318 HydrophobicContact CE1-CG 3.99Å; R254-Y318 VanDerWaalsContact CD-OH 3.26Å; R254-Y318 WeakPolarHBondContact CD-OH 3.47Å; A314-Y318 WeakPolarHBondContact O-CD2 3.28Å; R315-Y318 PolarHBondContact O-N 3.39Å; R315-Y318 VanDerWaalsContact O-N 3.08Å
319Q60.4Low77.2Confident208 Ų208106.1 Ų106.197%0.97247%0.474SS*.  trans-86.30160.1-69.1-179-30.500108.5R315R315-Q319 PolarHBondContact O-N 2.96Å; R315-Q319 VanDerWaalsContact O-N 3.16Å

Retrieved 319 of 319 residues in 152.5 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).