A0A5K4F2V6_SCHMA Loading...

Fucosyltransferase

AlphaFold DB (E2EAI5), UniProt , Accession A0A5K4F2V6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 416 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M60.2Low82.3Confident200 Ų200143.3 Ų143.399%0.98567%0.669SS**  0-45.30-74.6176.366.400115.3R3 T4 R5M1-R3 PolarHBondContact O-N 3.39Å; M1-T4 PolarHBondContact O-N 3.46Å; M1-T4 PolarHBondContact O-OG1 3.32Å; M1-R5 PolarHBondContact O-N 3.48Å
2K70.3Confident83.1Confident196 Ų196138.3 Ų138.385%0.85266%0.656SS**Hα-helixtrans-58.3-41.1-178.2-81.5-176.3177178.60114.5T4 R5 H6K2-T4 PolarHBondContact O-N 3.37Å; K2-R5 PolarHBondContact O-N 3.17Å; K2-H6 PolarHBondContact O-N 3.33Å; K2-H6 VanDerWaalsContact O-N 3.16Å
3R75.1Confident83.9Confident233 Ų233136.5 Ų136.588%0.87965%0.647SS**Hα-helixtrans-64.8-38.1-177.9-147175.1-173.1-179.61.2112.7M1 H6 L7M1-R3 PolarHBondContact O-N 3.39Å; R3-H6 PolarHBondContact O-N 3.18Å; R3-L7 PolarHBondContact O-N 3.16Å; R3-L7 VanDerWaalsContact O-N 3.17Å
4T81.1Confident84.5Confident92 Ų92134.4 Ų134.456%0.56464%0.641SS**Hα-helixtrans-68.2-43.9177.8-170000111.7M1 K2 H6 L7 V8M1-T4 PolarHBondContact O-N 3.46Å; M1-T4 PolarHBondContact O-OG1 3.32Å; K2-T4 PolarHBondContact O-N 3.37Å; T4-H6 VanDerWaalsContact C-N 3.31Å; T4-H6 PolarHBondContact O-N 3.43Å; T4-L7 PolarHBondContact O-N 3.39Å; T4-V8 WeakPolarHBondContact O-CG2 3.36Å; T4-V8 PolarHBondContact O-N 3Å; T4-V8 VanDerWaalsContact O-N 3.09Å
5R81.6Confident85Confident201 Ų201129.2 Ų129.276%0.75863%0.629SS**Hα-helixtrans-58.6-41.9174.2-98.5-175.9168.9178.4-2.7112.1M1 K2 V8 V9M1-R5 PolarHBondContact O-N 3.48Å; K2-R5 PolarHBondContact O-N 3.17Å; R5-V8 PolarHBondContact O-N 3.09Å; R5-V9 WeakPolarHBondContact O-CG2 3.47Å; R5-V9 PolarHBondContact O-N 2.73Å; R5-V9 VanDerWaalsContact O-N 3.08Å
6H83.6Confident85.4Confident121 Ų121125.9 Ų125.956%0.5662%0.619SS**Hα-helixtrans-69.1-36.1-178.3-136.926.4000112.7K2 R3 T4 R10K2-H6 PolarHBondContact O-N 3.33Å; K2-H6 VanDerWaalsContact O-N 3.16Å; R3-H6 PolarHBondContact O-N 3.18Å; T4-H6 VanDerWaalsContact C-N 3.31Å; T4-H6 PolarHBondContact O-N 3.43Å; H6-R10 WeakPolarHBondContact O-CG 3.37Å; H6-R10 PolarHBondContact O-N 3.39Å
7L89.5Confident85.8Confident116 Ų116124.4 Ų124.461%0.60761%0.613SS**Hα-helixtrans-64.4-46.4173.7-172.468.9000111.4R3 T4 V9 R10 V11R3-L7 PolarHBondContact O-N 3.16Å; R3-L7 VanDerWaalsContact O-N 3.17Å; T4-L7 PolarHBondContact O-N 3.39Å; L7-V9 VanDerWaalsContact C-N 3.34Å; L7-V9 PolarHBondContact O-N 3.41Å; L7-R10 PolarHBondContact O-N 3.08Å; L7-V11 WeakPolarHBondContact O-CG2 3.45Å; L7-V11 PolarHBondContact O-N 3.29Å
8V89.9Confident86.1Confident89 Ų89123.3 Ų123.354%0.53961%0.608SS.*Hα-helixtrans-59.5-44.4178.3173.60000111.2T4 R5 R10 V11 V12T4-V8 WeakPolarHBondContact O-CG2 3.36Å; T4-V8 PolarHBondContact O-N 3Å; T4-V8 VanDerWaalsContact O-N 3.09Å; R5-V8 PolarHBondContact O-N 3.09Å; V8-R10 VanDerWaalsContact C-N 3.34Å; V8-R10 PolarHBondContact O-N 3.42Å; V8-V11 PolarHBondContact O-N 3Å; V8-V12 HydrophobicContact CG1-CG2 4.47Å; V8-V12 WeakPolarHBondContact O-CG2 3.39Å; V8-V12 PolarHBondContact O-N 2.78Å
9V91Very high86.3Confident75 Ų75123.5 Ų123.546%0.45561%0.606SS.*Hα-helixtrans-60.3-43.1177.5172.10000111.6R5 L7 V12 Q13R5-V9 WeakPolarHBondContact O-CG2 3.47Å; R5-V9 PolarHBondContact O-N 2.73Å; R5-V9 VanDerWaalsContact O-N 3.08Å; L7-V9 VanDerWaalsContact C-N 3.34Å; L7-V9 PolarHBondContact O-N 3.41Å; V9-V12 PolarHBondContact O-N 2.96Å; V9-Q13 HydrophobicContact CG1-CG 4.49Å; V9-Q13 WeakPolarHBondContact O-CB 3.33Å; V9-Q13 WeakPolarHBondContact O-CG 3.17Å; V9-Q13 PolarHBondContact O-N 3.41Å
10R90.6Very high86.4Confident162 Ų162121.8 Ų121.861%0.61160%0.598SS**Hα-helixtrans-66.3-38.9178.4-73.5-175.6179.9-166.7-0.8112.7H6 L7 V8 Q13 L14H6-R10 WeakPolarHBondContact O-CG 3.37Å; H6-R10 PolarHBondContact O-N 3.39Å; L7-R10 PolarHBondContact O-N 3.08Å; V8-R10 VanDerWaalsContact C-N 3.34Å; V8-R10 PolarHBondContact O-N 3.42Å; R10-Q13 PolarHBondContact O-N 3.41Å; R10-L14 WeakPolarHBondContact O-CB 3.42Å; R10-L14 PolarHBondContact O-N 3.09Å
11V92.1Very high86.2Confident91 Ų91118.8 Ų118.855%0.55259%0.589SS**Hα-helixtrans-64.6-43.4176.8172.40000110.8L7 V8 L14 A15L7-V11 WeakPolarHBondContact O-CG2 3.45Å; L7-V11 PolarHBondContact O-N 3.29Å; V8-V11 PolarHBondContact O-N 3Å; V11-L14 PolarHBondContact O-N 3.21Å; V11-A15 WeakPolarHBondContact O-CB 3.35Å; V11-A15 PolarHBondContact O-N 3.44Å
12V92.2Very high87.5Confident84 Ų84116.4 Ų116.451%0.50957%0.57SS.*Hα-helixtrans-64-44.7176.4173.70000111.1V8 V9 L14 A15 V16V8-V12 HydrophobicContact CG1-CG2 4.47Å; V8-V12 WeakPolarHBondContact O-CG2 3.39Å; V8-V12 PolarHBondContact O-N 2.78Å; V9-V12 PolarHBondContact O-N 2.96Å; V12-L14 VanDerWaalsContact C-N 3.34Å; V12-L14 PolarHBondContact O-N 3.01Å; V12-A15 PolarHBondContact O-N 3.15Å; V12-V16 HydrophobicContact CG1-CG2 4.49Å; V12-V16 VanDerWaalsContact O-CG2 3.32Å; V12-V16 WeakPolarHBondContact O-CG2 3.34Å; V12-V16 PolarHBondContact O-N 3.23Å
13Q93.1Very high88Confident114 Ų114109 Ų10953%0.53354%0.539SS..Hα-helixtrans-59.9-43176.2-76176.2-31.900112.2V9 R10 V16 I17V9-Q13 HydrophobicContact CG1-CG 4.49Å; V9-Q13 WeakPolarHBondContact O-CB 3.33Å; V9-Q13 WeakPolarHBondContact O-CG 3.17Å; V9-Q13 PolarHBondContact O-N 3.41Å; R10-Q13 PolarHBondContact O-N 3.41Å; Q13-V16 PolarHBondContact O-N 3.28Å; Q13-I17 VanDerWaalsContact O-CG1 3.29Å; Q13-I17 WeakPolarHBondContact O-CG1 3.49Å; Q13-I17 PolarHBondContact O-N 3.29Å
14L93.1Very high88Confident108 Ų108102.3 Ų102.357%0.56552%0.52SS*.Hα-helixtrans-64.5-42.6177.9-162.777.5000111.6R10 V11 V12 V16 I17 I18R10-L14 WeakPolarHBondContact O-CB 3.42Å; R10-L14 PolarHBondContact O-N 3.09Å; V11-L14 PolarHBondContact O-N 3.21Å; V12-L14 VanDerWaalsContact C-N 3.34Å; V12-L14 PolarHBondContact O-N 3.01Å; L14-V16 VanDerWaalsContact C-N 3.35Å; L14-V16 PolarHBondContact O-N 3.13Å; L14-I17 PolarHBondContact O-N 3.43Å; L14-I18 HydrophobicContact CD2-CD1 4.48Å; L14-I18 HydrophobicContact CG-CD1 4.17Å; L14-I18 VanDerWaalsContact O-CG1 3.29Å; L14-I18 WeakPolarHBondContact O-CG1 3.48Å; L14-I18 PolarHBondContact O-N 3.37Å
15A91.2Very high87.7Confident56 Ų56101.2 Ų101.246%0.46351%0.513SS..Hα-helixtrans-62.3-41.2176.600000112.1V11 V12 I18 F19V11-A15 WeakPolarHBondContact O-CB 3.35Å; V11-A15 PolarHBondContact O-N 3.44Å; V12-A15 PolarHBondContact O-N 3.15Å; A15-I18 PolarHBondContact O-N 3.04Å; A15-F19 WeakPolarHBondContact O-CB 3.41Å; A15-F19 PolarHBondContact O-N 2.97Å
16V91.4Very high87.2Confident77 Ų7797.6 Ų97.647%0.46750%0.5SS..Hα-helixtrans-64-42.9175.4171.50000111.2V12 Q13 L14 F19 I20V12-V16 HydrophobicContact CG1-CG2 4.49Å; V12-V16 VanDerWaalsContact O-CG2 3.32Å; V12-V16 WeakPolarHBondContact O-CG2 3.34Å; V12-V16 PolarHBondContact O-N 3.23Å; Q13-V16 PolarHBondContact O-N 3.28Å; L14-V16 VanDerWaalsContact C-N 3.35Å; L14-V16 PolarHBondContact O-N 3.13Å; V16-F19 PolarHBondContact O-N 3.48Å; V16-I20 HydrophobicContact CG1-CD1 3.64Å; V16-I20 HydrophobicContact CG1-CG1 4.33Å; V16-I20 WeakPolarHBondContact O-CB 3.49Å; V16-I20 VanDerWaalsContact O-CG1 3.26Å; V16-I20 WeakPolarHBondContact O-CG1 3.39Å; V16-I20 PolarHBondContact O-N 3.04Å
17I92.4Very high85.8Confident100 Ų10095.8 Ų95.851%0.51349%0.494SS..Hα-helixtrans-62.8-46.7176.9-69165.1000110.7Q13 L14 F19 I20 S21Q13-I17 VanDerWaalsContact O-CG1 3.29Å; Q13-I17 WeakPolarHBondContact O-CG1 3.49Å; Q13-I17 PolarHBondContact O-N 3.29Å; L14-I17 PolarHBondContact O-N 3.43Å; I17-F19 VanDerWaalsContact C-N 3.3Å; I17-F19 PolarHBondContact O-N 3.38Å; I17-I20 PolarHBondContact O-N 3.08Å; I17-S21 WeakPolarHBondContact O-CB 3.24Å; I17-S21 PolarHBondContact O-N 2.96Å; I17-S21 PolarHBondContact O-OG 3.09Å; I17-S21 VanDerWaalsContact O-OG 3.1Å
18I91.1Very high83.9Confident104 Ų10495.1 Ų95.153%0.53349%0.49SS..Hα-helixtrans-60-43177.9-68.5166.3000110.6L14 A15 S21 Y22L14-I18 HydrophobicContact CD2-CD1 4.48Å; L14-I18 HydrophobicContact CG-CD1 4.17Å; L14-I18 VanDerWaalsContact O-CG1 3.29Å; L14-I18 WeakPolarHBondContact O-CG1 3.48Å; L14-I18 PolarHBondContact O-N 3.37Å; A15-I18 PolarHBondContact O-N 3.04Å; I18-S21 PolarHBondContact O-N 2.68Å; I18-Y22 VanDerWaalsContact O-CB 3.31Å; I18-Y22 WeakPolarHBondContact O-CB 3.35Å; I18-Y22 PolarHBondContact O-N 2.88Å
19F90.2Very high81.9Confident128 Ų12897.3 Ų97.356%0.56149%0.493SS*.Hα-helixtrans-64.6-45.9177.8-170.3-98000112A15 V16 I17 S21 Y22 E23A15-F19 WeakPolarHBondContact O-CB 3.41Å; A15-F19 PolarHBondContact O-N 2.97Å; V16-F19 PolarHBondContact O-N 3.48Å; I17-F19 VanDerWaalsContact C-N 3.3Å; I17-F19 PolarHBondContact O-N 3.38Å; F19-S21 PolarHBondContact O-N 3.04Å; F19-Y22 PolarHBondContact O-N 3.19Å; F19-E23 HydrophobicContact CD1-CG 4.21Å; F19-E23 HydrophobicContact CE1-CG 3.84Å; F19-E23 HydrophobicContact CZ-CG 4.07Å; F19-E23 WeakPolarHBondContact O-CB 3.35Å; F19-E23 WeakPolarHBondContact O-CG 3.46Å; F19-E23 PolarHBondContact O-N 2.69Å
20I87.9Confident79.5Confident89 Ų8999 Ų9946%0.45650%0.496SS..Hα-helixtrans-63-42176.1-69169000111V16 I17 E23 L24V16-I20 HydrophobicContact CG1-CD1 3.64Å; V16-I20 HydrophobicContact CG1-CG1 4.33Å; V16-I20 WeakPolarHBondContact O-CB 3.49Å; V16-I20 VanDerWaalsContact O-CG1 3.26Å; V16-I20 WeakPolarHBondContact O-CG1 3.39Å; V16-I20 PolarHBondContact O-N 3.04Å; I17-I20 PolarHBondContact O-N 3.08Å; I20-E23 PolarHBondContact O-N 3.26Å; I20-L24 HydrophobicContact CG2-CD1 3.74Å; I20-L24 HydrophobicContact CG2-CG 4.45Å; I20-L24 VanDerWaalsContact O-CB 3.28Å; I20-L24 WeakPolarHBondContact O-CB 3.03Å; I20-L24 WeakPolarHBondContact O-CG 3.31Å; I20-L24 PolarHBondContact O-N 2.8Å
21S83.5Confident76.8Confident59 Ų59100.6 Ų100.641%0.41350%0.503SS..Hα-helixtrans-65.3-39.5176.3-66.80000112.1I17 I18 F19 T25I17-S21 WeakPolarHBondContact O-CB 3.24Å; I17-S21 PolarHBondContact O-N 2.96Å; I17-S21 PolarHBondContact O-OG 3.09Å; I17-S21 VanDerWaalsContact O-OG 3.1Å; I18-S21 PolarHBondContact O-N 2.68Å; F19-S21 PolarHBondContact O-N 3.04Å; S21-T25 VanDerWaalsContact O-CB 3.24Å; S21-T25 WeakPolarHBondContact O-CB 3.32Å; S21-T25 PolarHBondContact O-N 2.97Å; S21-T25 PolarHBondContact O-OG1 3.47Å
22Y85.8Confident73.9Confident149 Ų149103.4 Ų103.458%0.58451%0.508SS*.Hα-helixtrans-64-46.4174.6177.5-98.7000111.2I18 F19 T25 R26I18-Y22 VanDerWaalsContact O-CB 3.31Å; I18-Y22 WeakPolarHBondContact O-CB 3.35Å; I18-Y22 PolarHBondContact O-N 2.88Å; F19-Y22 PolarHBondContact O-N 3.19Å; Y22-T25 PolarHBondContact O-N 3.27Å; Y22-R26 VanDerWaalsContact O-CB 3.31Å; Y22-R26 WeakPolarHBondContact O-CB 3.48Å; Y22-R26 PolarHBondContact O-N 3.1Å
23E81.3Confident70.8Confident41 Ų41106.8 Ų106.819%0.19251%0.512CS..Hα-helixtrans-67-40.4177.9-74.1-58.715300112.6F19 I20 T25 R26 L27F19-E23 HydrophobicContact CD1-CG 4.21Å; F19-E23 HydrophobicContact CE1-CG 3.84Å; F19-E23 HydrophobicContact CZ-CG 4.07Å; F19-E23 WeakPolarHBondContact O-CB 3.35Å; F19-E23 WeakPolarHBondContact O-CG 3.46Å; F19-E23 PolarHBondContact O-N 2.69Å; I20-E23 PolarHBondContact O-N 3.26Å; E23-T25 VanDerWaalsContact C-N 3.34Å; E23-R26 PolarHBondContact O-N 2.69Å; E23-R26 IonicContact OE1-CZ 3.67Å; E23-R26 IonicContact OE1-NE 2.69Å; E23-R26 IonicContact OE1-NH2 3.51Å; E23-R26 PolarHBondContact OE1-NH2 2.93Å; E23-R26 IonicContact OE2-CZ 3.73Å; E23-R26 IonicContact OE2-NE 2.97Å; E23-R26 PolarHBondContact OE2-NE 3.41Å; E23-R26 IonicContact OE2-NH2 2.78Å; E23-R26 PolarHBondContact OE2-NH2 2.85Å; E23-L27 VanDerWaalsContact O-CB 3.26Å; E23-L27 WeakPolarHBondContact O-CB 3.03Å; E23-L27 VanDerWaalsContact O-CG 3.26Å; E23-L27 WeakPolarHBondContact O-CG 3.42Å; E23-L27 PolarHBondContact O-N 3.31Å
24L75Confident67.6Low93 Ų93105.6 Ų105.649%0.48751%0.509SS..Hα-helixtrans-62.6-42.2172.1-85.9162.8000111.3I20 L27 L28I20-L24 HydrophobicContact CG2-CD1 3.74Å; I20-L24 HydrophobicContact CG2-CG 4.45Å; I20-L24 VanDerWaalsContact O-CB 3.28Å; I20-L24 WeakPolarHBondContact O-CB 3.03Å; I20-L24 WeakPolarHBondContact O-CG 3.31Å; I20-L24 PolarHBondContact O-N 2.8Å; L24-L27 PolarHBondContact O-N 2.98Å; L24-L28 WeakPolarHBondContact O-CB 3.35Å; L24-L28 WeakPolarHBondContact O-CD1 3.4Å; L24-L28 WeakPolarHBondContact O-CG 3.48Å; L24-L28 PolarHBondContact O-N 2.92Å
25T74.7Confident64.5Low69 Ų69104.3 Ų104.342%0.42350%0.5SS..Hα-helixtrans-66.3-43.2177.4-58.10000110.2S21 Y22 E23 L28 F29S21-T25 VanDerWaalsContact O-CB 3.24Å; S21-T25 WeakPolarHBondContact O-CB 3.32Å; S21-T25 PolarHBondContact O-N 2.97Å; S21-T25 PolarHBondContact O-OG1 3.47Å; Y22-T25 PolarHBondContact O-N 3.27Å; E23-T25 VanDerWaalsContact C-N 3.34Å; T25-L28 PolarHBondContact O-N 3.02Å; T25-F29 HydrophobicContact CG2-CD2 3.59Å; T25-F29 HydrophobicContact CG2-CE2 3.74Å; T25-F29 VanDerWaalsContact O-CB 3.31Å; T25-F29 WeakPolarHBondContact O-CB 3.29Å; T25-F29 VanDerWaalsContact O-CD2 3.3Å; T25-F29 WeakPolarHBondContact O-CD2 3.39Å; T25-F29 PolarHBondContact O-N 2.81Å
26R72.4Confident61.4Low124 Ų124111.6 Ų111.647%0.46852%0.521SS..Hα-helixtrans-59.8-47.7174.8-171.6177.274.8143.72.2111.7Y22 E23 F29 Q30Y22-R26 VanDerWaalsContact O-CB 3.31Å; Y22-R26 WeakPolarHBondContact O-CB 3.48Å; Y22-R26 PolarHBondContact O-N 3.1Å; E23-R26 PolarHBondContact O-N 2.69Å; E23-R26 IonicContact OE1-CZ 3.67Å; E23-R26 IonicContact OE1-NE 2.69Å; E23-R26 IonicContact OE1-NH2 3.51Å; E23-R26 PolarHBondContact OE1-NH2 2.93Å; E23-R26 IonicContact OE2-CZ 3.73Å; E23-R26 IonicContact OE2-NE 2.97Å; E23-R26 PolarHBondContact OE2-NE 3.41Å; E23-R26 IonicContact OE2-NH2 2.78Å; E23-R26 PolarHBondContact OE2-NH2 2.85Å; R26-F29 PolarHBondContact O-N 2.79Å; R26-Q30 PolarHBondContact O-N 2.96Å
27L52.5Low58.3Low84 Ų84115.6 Ų115.644%0.4453%0.533SS..Hα-helixtrans-62.6-44.5175.9-77.7164.8000111.4E23 L24 F29 Q30 Y31E23-L27 VanDerWaalsContact O-CB 3.26Å; E23-L27 WeakPolarHBondContact O-CB 3.03Å; E23-L27 VanDerWaalsContact O-CG 3.26Å; E23-L27 WeakPolarHBondContact O-CG 3.42Å; E23-L27 PolarHBondContact O-N 3.31Å; L24-L27 PolarHBondContact O-N 2.98Å; L27-F29 VanDerWaalsContact C-N 3.35Å; L27-Q30 PolarHBondContact O-N 3.38Å; L27-Y31 WeakPolarHBondContact O-CB 3.21Å; L27-Y31 PolarHBondContact O-N 2.94Å
28L50.3Low55.1Low101 Ų101114 Ų11453%0.52954%0.541SS..Hα-helixtrans-67.2-33.9177-73.7168.8000112.2L24 T25 K32L24-L28 WeakPolarHBondContact O-CB 3.35Å; L24-L28 WeakPolarHBondContact O-CD1 3.4Å; L24-L28 WeakPolarHBondContact O-CG 3.48Å; L24-L28 PolarHBondContact O-N 2.92Å; T25-L28 PolarHBondContact O-N 3.02Å; L28-K32 VanDerWaalsContact O-CB 3.23Å; L28-K32 WeakPolarHBondContact O-CB 3.44Å; L28-K32 WeakPolarHBondContact O-CG 3.33Å; L28-K32 PolarHBondContact O-N 3.48Å
29F47.8Very low51.8Low135 Ų135116.8 Ų116.859%0.59256%0.555SS**Hα-helixtrans-71.9-40.1174.7-97.6-88.6000111.8T25 R26 L27 W33T25-F29 HydrophobicContact CG2-CD2 3.59Å; T25-F29 HydrophobicContact CG2-CE2 3.74Å; T25-F29 VanDerWaalsContact O-CB 3.31Å; T25-F29 WeakPolarHBondContact O-CB 3.29Å; T25-F29 VanDerWaalsContact O-CD2 3.3Å; T25-F29 WeakPolarHBondContact O-CD2 3.39Å; T25-F29 PolarHBondContact O-N 2.81Å; R26-F29 PolarHBondContact O-N 2.79Å; L27-F29 VanDerWaalsContact C-N 3.35Å; F29-W33 PolarHBondContact O-N 2.98Å
30Q41Very low48.7Very low112 Ų112114.7 Ų114.752%0.52356%0.557SS.*Hα-helixtrans-62-47.8170.2-86.3-179.7-5000111R26 L27 K32 W33 D34R26-Q30 PolarHBondContact O-N 2.96Å; L27-Q30 PolarHBondContact O-N 3.38Å; Q30-K32 VanDerWaalsContact C-N 3.34Å; Q30-K32 PolarHBondContact O-N 2.95Å; Q30-W33 PolarHBondContact O-N 3.44Å; Q30-D34 PolarHBondContact O-N 3.3Å
31Y33.3Very low45.5Very low194 Ų194121 Ų12176%0.76158%0.575SS**Hα-helixtrans-69.4-23.5179.6-105-88.9000114.6L27L27-Y31 WeakPolarHBondContact O-CB 3.21Å; L27-Y31 PolarHBondContact O-N 2.94Å
32K31.7Very low42.8Very low151 Ų151125 Ų12566%0.65759%0.591SS**Hα-helixtrans-85.6-16.3178.9-88.7-171.6173-177.30114.3L28 Q30 R267L28-K32 VanDerWaalsContact O-CB 3.23Å; L28-K32 WeakPolarHBondContact O-CB 3.44Å; L28-K32 WeakPolarHBondContact O-CG 3.33Å; L28-K32 PolarHBondContact O-N 3.48Å; Q30-K32 VanDerWaalsContact C-N 3.34Å; Q30-K32 PolarHBondContact O-N 2.95Å; K32-R267 PolarHBondContact O-NH1 3.29Å
33W26.4Very low39.8Very low154 Ų154125.1 Ų125.158%0.58360%0.602SS**Hα-helixtrans-108.7-26.9-175-88.992.5000115F29 Q30F29-W33 PolarHBondContact O-N 2.98Å; Q30-W33 PolarHBondContact O-N 3.44Å
34D26.2Very low37.1Very low90 Ų90126 Ų12648%0.48162%0.622SS.*SBendtrans-105.7125.5-179.4-63.5-38.4000110.9Q30Q30-D34 PolarHBondContact O-N 3.3Å
35E29.3Very low34.5Very low80 Ų80129.2 Ų129.237%0.37464%0.64SS.*  trans75.670.8155.6-61.6174.9-169.600118.7Y112 N114E35-Y112 WeakPolarHBondContact OE1-CA 3.42Å; E35-Y112 VanDerWaalsContact OE1-CB 3.29Å; E35-Y112 WeakPolarHBondContact OE1-CB 3.46Å; E35-Y112 PolarHBondContact OE1-N 3.39Å; E35-Y112 VanDerWaalsContact OE1-N 3.13Å; E35-N114 PolarHBondContact OE2-ND2 3.01Å
36K24.6Very low32.1Very low209 Ų209135.5 Ų135.591%0.90966%0.662SS**  trans-13755.1144.8-132.9-176.5-170.1-176.20111.2
37F27.3Very low29.7Very low162 Ų162138.3 Ų138.371%0.71168%0.677SS**  trans-123.4126.6173.3-68.8-77.4000109.4
38G25.1Very low28.2Very low67 Ų67145 Ų14569%0.69170%0.699SS**SBendtrans122.5-1.1163.400000118.1
39I22Very low26.9Very low161 Ų161147 Ų14783%0.82671%0.71SS**  trans-101.399170.8-55.2179.5000108.6R41I39-R41 PolarHBondContact O-N 2.86Å; I39-R41 VanDerWaalsContact O-N 3.1Å
40S23.9Very low25.6Very low85 Ų85148.2 Ų148.259%0.59472%0.72SS**  trans-56.3109.4158.1173.70000108N42S40-N42 PolarHBondContact O-N 3.4Å; S40-N42 VanDerWaalsContact O-N 3.16Å; S40-N42 VanDerWaalsContact OG-CG 3.31Å; S40-N42 PolarHBondContact OG-N 3.42Å; S40-N42 PolarHBondContact OG-OD1 3.3Å
41R20.9Very low24.9Very low221 Ų221150.1 Ų150.183%0.83473%0.734SS**  trans-81.771.5161.9-119.3-172.8179.3176.7-1.5107I39 N43I39-R41 PolarHBondContact O-N 2.86Å; I39-R41 VanDerWaalsContact O-N 3.1Å; R41-N43 PolarHBondContact O-N 3.1Å
42N26.7Very low24.4Very low142 Ų142148.3 Ų148.376%0.75974%0.736SS**  trans-75.785.9162.4-86.4-10.7000107.8S40S40-N42 PolarHBondContact O-N 3.4Å; S40-N42 VanDerWaalsContact O-N 3.16Å; S40-N42 VanDerWaalsContact OG-CG 3.31Å; S40-N42 PolarHBondContact OG-N 3.42Å; S40-N42 PolarHBondContact OG-OD1 3.3Å
43N23.8Very low23.9Very low153 Ų153150.2 Ų150.282%0.81875%0.747SS**  trans-70.4117.1147.9-84.4-4.9000106.2R41R41-N43 PolarHBondContact O-N 3.1Å
44G23.9Very low23.8Very low58 Ų58150.5 Ų150.560%0.59876%0.755SS**  trans158.396.7174.300000110.5F46G44-F46 PolarHBondContact O-N 2.81Å
45D21.1Very low23.6Very low161 Ų161151.9 Ų151.986%0.86177%0.771SS**  trans-38.4122.7167.2-59.4-55000111.1
46F24.7Very low23.4Very low202 Ų202158 Ų15889%0.88679%0.792SS**  trans-119.3117.2170-121.4-90.7000109.7G44G44-F46 PolarHBondContact O-N 2.81Å
47F21.2Very low23.3Very low182 Ų182153 Ų15380%0.79878%0.784SS**  trans-57.8141.4179.9-80.3-101.1000112.2N49F47-N49 PolarHBondContact O-N 2.98Å; F47-N49 VanDerWaalsContact O-N 3.12Å
48Y21Very low23.2Very low226 Ų226150.6 Ų150.689%0.88679%0.787SS**  trans-56.7108.1164.4-77.5-94.4000109.7
49N23.3Very low23.2Very low143 Ų143155.1 Ų155.177%0.76580%0.795SS**  trans-100.4107.7157.7-83.5-37000108.3F47 L51F47-N49 PolarHBondContact O-N 2.98Å; F47-N49 VanDerWaalsContact O-N 3.12Å; N49-L51 PolarHBondContact O-N 3.48Å
50I20.6Very low23.3Very low159 Ų159154.5 Ų154.582%0.81580%0.799SS**  trans-64.2114.8166.7-65.7164.9000107.2
51L26.4Very low23.3Very low153 Ų153152.1 Ų152.180%0.80179%0.788SS**  trans-135.8105166.4-83.3172.8000111.4N49N49-L51 PolarHBondContact O-N 3.48Å
52L22.7Very low23.4Very low156 Ų156148.7 Ų148.782%0.81779%0.786SS**  trans20.8117.4147-63.7164.7000119.3E54L52-E54 PolarHBondContact O-N 2.91Å
53H20.5Very low23.5Very low191 Ų191150.3 Ų150.388%0.88479%0.794SS**  trans-46.9116.7157.8-86.9-82.8000112.3
54E24.3Very low23.8Very low160 Ų160150.7 Ų150.775%0.74880%0.796SS**  trans-113.2117.6151.1-80.4-171166.100109.5L52 Y56L52-E54 PolarHBondContact O-N 2.91Å; E54-Y56 PolarHBondContact O-N 2.97Å
55S21.9Very low23.9Very low118 Ų118153.6 Ų153.683%0.82579%0.794SS**PPolyproline II helixtrans-68116.4173.951.90000110.5
56Y26.4Very low24.3Very low208 Ų208148.3 Ų148.382%0.81677%0.768SS**PPolyproline II helixtrans-92.7118.1165.7-86.5-89.1000110.2E54E54-Y56 PolarHBondContact O-N 2.97Å
57S22.5Very low24.4Very low106 Ų106144.5 Ų144.574%0.74175%0.748SS**PPolyproline II helixtrans-85.7148.7170.659.40000111.3
58S23.7Very low25Very low110 Ų110143.9 Ų143.977%0.76974%0.742SS**  trans-41.2125.7177.155.70000115.9
59L25.1Very low25.5Very low163 Ų163135.1 Ų135.185%0.85371%0.712SS**  trans-139.5129.2156.3-86.2167.2000110.5
60T25Very low25.9Very low147 Ų147133.3 Ų133.390%0.90271%0.71SS**  trans-64125.2174.742.10000110.7
61G23.8Very low26.5Very low36 Ų36126.3 Ų126.337%0.37168%0.676SS.*  trans-154.6140-174.600000115
62N23.1Very low26.9Very low149 Ų149129 Ų12980%0.79768%0.684SS**  trans-47.3157.4-174.2-86.9-37.2000117.5N64 Q65N62-N64 PolarHBondContact O-N 3.14Å; N62-Q65 PolarHBondContact O-N 3.44Å
63L29.2Very low27.6Very low176 Ų176123.7 Ų123.792%0.92166%0.656SS**THydrogen-bonded Turntrans-46-0.5176.1-94141.8000118.5
64N28.8Very low28.6Very low161 Ų161122.9 Ų122.986%0.86165%0.652SS**THydrogen-bonded Turntrans-104.64173.9-76.2-11.6000113.4N62N62-N64 PolarHBondContact O-N 3.14Å
65Q26.1Very low29.5Very low118 Ų118121.7 Ų121.755%0.55165%0.645SS**PPolyproline II helixtrans-83.6129175.3-75.1-175.4-12.400111.9N62N62-Q65 PolarHBondContact O-N 3.44Å
66T30.5Very low30.7Very low51 Ų51121 Ų12131%0.31363%0.625SS.*PPolyproline II helixtrans-80.8121.5169.8-63.20000107.6Y68 K79T66-Y68 HydrophobicContact CG2-CD2 4.37Å; T66-Y68 HydrophobicContact CG2-CE1 4.29Å; T66-Y68 HydrophobicContact CG2-CE2 3.92Å; T66-Y68 PolarHBondContact O-N 3.4Å; T66-K79 HydrophobicContact CG2-CD 3.82Å; T66-K79 HydrophobicContact CG2-CG 4.01Å; T66-K79 WeakPolarHBondContact OG1-CE 3.48Å; T66-K79 PolarHBondContact OG1-NZ 3.27Å; T66-K79 VanDerWaalsContact OG1-NZ 3.09Å
67Y27Very low32.1Very low121 Ų121114 Ų11448%0.47560%0.599SS.*PPolyproline II helixtrans-80.2117.5170.5-63-84.4000108.8F84Y67-F84 WeakPolarHBondContact CE2-O 3.38Å
68Y32.5Very low34.1Very low169 Ų169109.8 Ų109.866%0.66357%0.568SS**  trans-90.6109.8161.6-62.8-83.3000106.3T66 S70 E77T66-Y68 HydrophobicContact CG2-CD2 4.37Å; T66-Y68 HydrophobicContact CG2-CE1 4.29Å; T66-Y68 HydrophobicContact CG2-CE2 3.92Å; T66-Y68 PolarHBondContact O-N 3.4Å; Y68-S70 PolarHBondContact O-N 3.09Å; Y68-E77 WeakPolarHBondContact CD1-OE2 3.37Å
69V32.3Very low36.3Very low43 Ų43107.1 Ų107.126%0.26154%0.543SS..  trans-86.999180-174.60000106.2S71 L89 Y93V69-S71 PolarHBondContact O-N 3.26Å; V69-L89 HydrophobicContact CG1-CD1 4.34Å; V69-L89 HydrophobicContact CG2-CD1 3.49Å; V69-L89 VanDerWaalsContact CG2-CD1 3.49Å; V69-L89 HydrophobicContact CG2-CD2 3.84Å; V69-L89 HydrophobicContact CG2-CG 4.31Å; V69-Y93 HydrophobicContact CG1-CE2 3.81Å; V69-Y93 WeakPolarHBondContact CG1-OH 3.32Å
70S32.1Very low38.6Very low105 Ų105101.5 Ų101.573%0.73451%0.513SS*.  trans-64.980.6163.663.90000107.8Y68Y68-S70 PolarHBondContact O-N 3.09Å
71S31.8Very low40.9Very low12 Ų1297.5 Ų97.58%0.08449%0.489CS..  trans-65.1160.7164.475.30000107.6V69 M73 E74 Y93V69-S71 PolarHBondContact O-N 3.26Å; S71-M73 CarbonylContact O-C 3.54Å; S71-M73 PolarHBondContact O-N 3.26Å; S71-M73 VanDerWaalsContact OG-CA 3.27Å; S71-M73 WeakPolarHBondContact OG-CA 3.37Å; S71-M73 WeakPolarHBondContact OG-CB 3.33Å; S71-M73 WeakPolarHBondContact OG-CG 3.43Å; S71-M73 PolarHBondContact OG-N 3.2Å; S71-M73 PolarHBondContact OG-O 3.25Å; S71-M73 VanDerWaalsContact OG-O 3.11Å; S71-E74 PolarHBondContact O-N 3.49Å; S71-Y93 WeakPolarHBondContact CB-OH 3.24Å
72Q34.6Very low43.1Very low208 Ų20897.6 Ų97.697%0.97248%0.48SS*.SBendtrans-58.45.6162.2-67.9-155.9-24.200113.6
73M37.6Very low45.1Very low46 Ų4693.1 Ų93.123%0.22747%0.47CS..SBendtrans-104.573165.3-34.1170.660.100107.8S71 K75 Y76 F123S71-M73 CarbonylContact O-C 3.54Å; S71-M73 PolarHBondContact O-N 3.26Å; S71-M73 VanDerWaalsContact OG-CA 3.27Å; S71-M73 WeakPolarHBondContact OG-CA 3.37Å; S71-M73 WeakPolarHBondContact OG-CB 3.33Å; S71-M73 WeakPolarHBondContact OG-CG 3.43Å; S71-M73 PolarHBondContact OG-N 3.2Å; S71-M73 PolarHBondContact OG-O 3.25Å; S71-M73 VanDerWaalsContact OG-O 3.11Å; M73-K75 PolarHBondContact O-N 2.03Å; M73-Y76 HydrophobicContact CB-CD2 4.03Å; M73-Y76 HydrophobicContact CE-CD2 3.95Å; M73-Y76 PolarHBondContact O-N 3.09Å; M73-F123 HydrophobicContact SD-CB 4.19Å
74E42.5Very low46.9Very low174 Ų17485.4 Ų85.481%0.81343%0.429SS*.THydrogen-bonded Turntrans-55.87.2-174.3-68.2179160.500116.2S71S71-E74 PolarHBondContact O-N 3.49Å
75K43.3Very low48.6Very low135 Ų13581 Ų8159%0.58741%0.407SS*.THydrogen-bonded Turntrans-1376.2-175-150.1172.8179.4175.40116M73 A370 W371M73-K75 PolarHBondContact O-N 2.03Å; K75-A370 WeakPolarHBondContact CE-O 3.1Å; K75-W371 VanDerWaalsContact O-CD1 3.25Å
76Y47.8Very low50.4Low103 Ų10382.1 Ų82.140%0.40441%0.413SS..  trans-130.790.8-175.2-52.2-63.9000112.2M73 M374M73-Y76 HydrophobicContact CB-CD2 4.03Å; M73-Y76 HydrophobicContact CE-CD2 3.95Å; M73-Y76 PolarHBondContact O-N 3.09Å; Y76-M374 HydrophobicContact CD1-CE 3.38Å; Y76-M374 HydrophobicContact CD1-CG 4.13Å; Y76-M374 HydrophobicContact CD1-SD 3.28Å; Y76-M374 WeakPolarHBondContact CD1-SD 3.08Å; Y76-M374 HydrophobicContact CD2-SD 4.1Å; Y76-M374 HydrophobicContact CE1-CE 3.1Å; Y76-M374 HydrophobicContact CE1-SD 3.7Å; Y76-M374 HydrophobicContact CE2-CE 4.34Å; Y76-M374 HydrophobicContact CE2-SD 4.43Å; Y76-M374 HydrophobicContact CG-CE 4.12Å; Y76-M374 HydrophobicContact CG-SD 3.51Å; Y76-M374 VanDerWaalsContact CG-SD 3.51Å
77E55.5Low52.2Low60 Ų6086.1 Ų86.128%0.2843%0.426SS..  trans-12783.8-170.7-63.1-173.2166.700112.1Y68 K79 W371Y68-E77 WeakPolarHBondContact CD1-OE2 3.37Å; E77-K79 PolarHBondContact O-N 3.06Å; E77-W371 WeakPolarHBondContact O-CH2 3.27Å; E77-W371 WeakPolarHBondContact O-CZ2 3.44Å; E77-W371 VanDerWaalsContact O-CZ3 3.26Å; E77-W371 WeakPolarHBondContact O-CZ3 3.5Å
78N63.5Low54.3Low18 Ų1882.1 Ų82.110%0.09641%0.413CS..  trans-63.9126.4162.3-54.1-86.5000107.9I80 I193 W371 P373 M374 V378N78-I80 WeakPolarHBondContact O-CG1 3.28Å; N78-I80 PolarHBondContact O-N 3.24Å; N78-I80 VanDerWaalsContact O-N 3.17Å; N78-I193 HydrophobicContact CB-CG2 3.66Å; N78-W371 VanDerWaalsContact CA-CH2 3.46Å; N78-W371 HydrophobicContact CB-CH2 4.3Å; N78-W371 HydrophobicContact CB-CZ2 4Å; N78-P373 WeakPolarHBondContact OD1-CB 3.45Å; N78-M374 PolarHBondContact ND2-O 3.29Å; N78-M374 PolarHBondContact OD1-N 2.97Å; N78-V378 HydrophobicContact CB-CG2 4.08Å; N78-V378 VanDerWaalsContact ND2-CG2 3.34Å; N78-V378 WeakPolarHBondContact ND2-CG2 3.42Å
79K69.8Low55.9Low54 Ų5475.2 Ų75.224%0.23539%0.387CS..EExtended strand (participates in β ladder)trans-64.5117.5166.8172.9178.1-179.6172.80108T66 E77 Y194T66-K79 HydrophobicContact CG2-CD 3.82Å; T66-K79 HydrophobicContact CG2-CG 4.01Å; T66-K79 WeakPolarHBondContact OG1-CE 3.48Å; T66-K79 PolarHBondContact OG1-NZ 3.27Å; T66-K79 VanDerWaalsContact OG1-NZ 3.09Å; E77-K79 PolarHBondContact O-N 3.06Å; K79-Y194 HydrophobicContact CB-CD1 4.21Å; K79-Y194 HydrophobicContact CD-CD1 4.46Å; K79-Y194 PolarHBondContact O-N 3.18Å
80I74.2Confident57.7Low46 Ų4677.1 Ų77.124%0.23639%0.393CS..EExtended strand (participates in β ladder)trans-104.6113179-51.6171.7000109.9N78 L82 F84 T192 V378N78-I80 WeakPolarHBondContact O-CG1 3.28Å; N78-I80 PolarHBondContact O-N 3.24Å; N78-I80 VanDerWaalsContact O-N 3.17Å; I80-L82 VanDerWaalsContact C-N 3.28Å; I80-L82 HydrophobicContact CG2-CB 3.93Å; I80-L82 HydrophobicContact CG2-CD1 3.69Å; I80-L82 HydrophobicContact CG2-CG 3.74Å; I80-L82 PolarHBondContact O-N 3.01Å; I80-F84 HydrophobicContact CB-CD2 4.4Å; I80-F84 HydrophobicContact CB-CE2 4.23Å; I80-F84 HydrophobicContact CD1-CE2 4.11Å; I80-F84 HydrophobicContact CG2-CD2 4.05Å; I80-F84 HydrophobicContact CG2-CE2 3.55Å; I80-F84 HydrophobicContact CG2-CZ 4.47Å; I80-T192 CarbonylContact C-O 3.51Å; I80-T192 VanDerWaalsContact CA-O 3.26Å; I80-T192 WeakPolarHBondContact CA-O 3.44Å; I80-V378 HydrophobicContact CD1-CG1 3.6Å; I80-V378 HydrophobicContact CD1-CG2 4.06Å; I80-V378 HydrophobicContact CG1-CG1 4.14Å
81T72.9Confident59.4Low63 Ų6375 Ų7539%0.38737%0.372SS..  trans-90.758.5178.4-400000110.5S191 T192T81-S191 VanDerWaalsContact CB-O 3.29Å; T81-S191 WeakPolarHBondContact CB-O 3.45Å; T81-S191 PolarHBondContact OG1-O 3.21Å; T81-T192 PolarHBondContact N-O 2.75Å
82L71Confident61Low37 Ų3774.7 Ų74.719%0.19437%0.369CS..SBendtrans-109.5-2.9174.6-75.6174.4000113.8I80 F84 Y183 T192 L382 Y392I80-L82 VanDerWaalsContact C-N 3.28Å; I80-L82 HydrophobicContact CG2-CB 3.93Å; I80-L82 HydrophobicContact CG2-CD1 3.69Å; I80-L82 HydrophobicContact CG2-CG 3.74Å; I80-L82 PolarHBondContact O-N 3.01Å; L82-F84 HydrophobicContact CB-CD1 4.22Å; L82-F84 HydrophobicContact CB-CD2 4.03Å; L82-F84 HydrophobicContact CB-CE1 3.99Å; L82-F84 HydrophobicContact CB-CE2 3.83Å; L82-F84 HydrophobicContact CB-CG 4.23Å; L82-F84 HydrophobicContact CB-CZ 3.8Å; L82-F84 HydrophobicContact CD1-CE1 4.03Å; L82-F84 HydrophobicContact CD1-CE2 3.69Å; L82-F84 HydrophobicContact CD1-CZ 3.29Å; L82-F84 HydrophobicContact CG-CE2 4.33Å; L82-F84 HydrophobicContact CG-CZ 4.16Å; L82-F84 PolarHBondContact O-N 2.67Å; L82-Y183 HydrophobicContact CD1-CD1 4Å; L82-Y183 HydrophobicContact CD1-CE1 3.61Å; L82-Y183 HydrophobicContact CD2-CD1 3.96Å; L82-Y183 HydrophobicContact CD2-CE1 3.76Å; L82-Y183 HydrophobicContact CG-CE1 4.35Å; L82-T192 HydrophobicContact CD1-CG2 3.71Å; L82-T192 HydrophobicContact CD2-CG2 3.58Å; L82-T192 HydrophobicContact CG-CG2 3.48Å; L82-T192 VanDerWaalsContact CG-CG2 3.48Å; L82-L382 HydrophobicContact CD1-CD2 4.33Å; L82-Y392 HydrophobicContact CD2-CD1 3.78Å; L82-Y392 HydrophobicContact CD2-CE1 3.87Å; L82-Y392 HydrophobicContact CD2-CG 4.24Å
83G65.2Low62.5Low55 Ų5568.2 Ų68.257%0.56734%0.336SS*.  trans62.235.1-176.200000112.1T85G83-T85 PolarHBondContact O-N 3.25Å
84F66.3Low63.8Low15 Ų1572.3 Ų72.37%0.06635%0.353CS..  trans-57.5131.3177.4-71.8-49.6000110.7Y67 I80 L82 D88 L89 L92 L382 L389Y67-F84 WeakPolarHBondContact CE2-O 3.38Å; I80-F84 HydrophobicContact CB-CD2 4.4Å; I80-F84 HydrophobicContact CB-CE2 4.23Å; I80-F84 HydrophobicContact CD1-CE2 4.11Å; I80-F84 HydrophobicContact CG2-CD2 4.05Å; I80-F84 HydrophobicContact CG2-CE2 3.55Å; I80-F84 HydrophobicContact CG2-CZ 4.47Å; L82-F84 HydrophobicContact CB-CD1 4.22Å; L82-F84 HydrophobicContact CB-CD2 4.03Å; L82-F84 HydrophobicContact CB-CE1 3.99Å; L82-F84 HydrophobicContact CB-CE2 3.83Å; L82-F84 HydrophobicContact CB-CG 4.23Å; L82-F84 HydrophobicContact CB-CZ 3.8Å; L82-F84 HydrophobicContact CD1-CE1 4.03Å; L82-F84 HydrophobicContact CD1-CE2 3.69Å; L82-F84 HydrophobicContact CD1-CZ 3.29Å; L82-F84 HydrophobicContact CG-CE2 4.33Å; L82-F84 HydrophobicContact CG-CZ 4.16Å; L82-F84 PolarHBondContact O-N 2.67Å; F84-D88 HydrophobicContact CB-CB 4.07Å; F84-D88 HydrophobicContact CD1-CB 3.6Å; F84-D88 HydrophobicContact CE1-CB 4.43Å; F84-D88 HydrophobicContact CG-CB 4.21Å; F84-L89 HydrophobicContact CB-CD2 4.02Å; F84-L89 HydrophobicContact CB-CG 4.07Å; F84-L89 HydrophobicContact CD2-CD2 4.05Å; F84-L89 HydrophobicContact CG-CD2 4.27Å; F84-L92 HydrophobicContact CD1-CD1 4.47Å; F84-L92 HydrophobicContact CD2-CD1 4.41Å; F84-L92 HydrophobicContact CE1-CD1 4.16Å; F84-L92 HydrophobicContact CE2-CD1 4.05Å; F84-L92 HydrophobicContact CZ-CD1 3.93Å; F84-L382 HydrophobicContact CZ-CD2 4.13Å; F84-L389 HydrophobicContact CD1-CD2 4.47Å; F84-L389 HydrophobicContact CE1-CD1 3.62Å; F84-L389 HydrophobicContact CE1-CD2 3.93Å; F84-L389 HydrophobicContact CE1-CG 4.42Å; F84-L389 HydrophobicContact CZ-CD1 4.02Å
85T65Low64.7Low67 Ų6765.6 Ų65.641%0.41132%0.323SS..  trans-74.1162.1164.166.60000109.8G83 K87 D88 L89G83-T85 PolarHBondContact O-N 3.25Å; T85-K87 PolarHBondContact O-N 3.46Å; T85-D88 WeakPolarHBondContact CB-OD2 3.44Å; T85-D88 PolarHBondContact N-OD2 3.49Å; T85-D88 WeakPolarHBondContact O-CB 3.31Å; T85-D88 PolarHBondContact O-N 2.99Å; T85-D88 PolarHBondContact OG1-N 3.37Å; T85-D88 VanDerWaalsContact OG1-N 3.14Å; T85-D88 PolarHBondContact OG1-OD2 3.34Å; T85-L89 PolarHBondContact O-N 3.05Å; T85-L89 VanDerWaalsContact O-N 3.1Å
86E64Low65.2Low143 Ų14367.1 Ų67.167%0.66833%0.33SS*.Hα-helixtrans-53.9-37.6171-175.2173-164.500111.5L89 E90E86-L89 WeakPolarHBondContact O-CB 3.49Å; E86-L89 PolarHBondContact O-N 2.85Å; E86-E90 WeakPolarHBondContact O-CG 3.26Å; E86-E90 PolarHBondContact O-N 3.4Å
87K68Low65.3Low134 Ų13467.8 Ų67.858%0.58335%0.35SS*.Hα-helixtrans-63.4-42.5175.2-175.7-178.7173.1-172.70112.7T85 L89 E90 E91T85-K87 PolarHBondContact O-N 3.46Å; K87-L89 VanDerWaalsContact C-N 3.29Å; K87-L89 PolarHBondContact O-N 3.34Å; K87-E90 PolarHBondContact O-N 2.89Å; K87-E91 WeakPolarHBondContact CE-OE1 3.32Å; K87-E91 IonicContact NZ-OE1 3.71Å; K87-E91 WeakPolarHBondContact O-CB 3.45Å; K87-E91 WeakPolarHBondContact O-CG 3.3Å; K87-E91 PolarHBondContact O-N 3.11Å
88D69.9Low65.2Low38 Ų3868.1 Ų68.120%0.20336%0.363CS..Hα-helixtrans-60.8-43.4176.3-60.2-54.2000110.2F84 T85 E91 L92 L389F84-D88 HydrophobicContact CB-CB 4.07Å; F84-D88 HydrophobicContact CD1-CB 3.6Å; F84-D88 HydrophobicContact CE1-CB 4.43Å; F84-D88 HydrophobicContact CG-CB 4.21Å; T85-D88 WeakPolarHBondContact CB-OD2 3.44Å; T85-D88 PolarHBondContact N-OD2 3.49Å; T85-D88 WeakPolarHBondContact O-CB 3.31Å; T85-D88 PolarHBondContact O-N 2.99Å; T85-D88 PolarHBondContact OG1-N 3.37Å; T85-D88 VanDerWaalsContact OG1-N 3.14Å; T85-D88 PolarHBondContact OG1-OD2 3.34Å; D88-E91 PolarHBondContact O-N 3.32Å; D88-L92 WeakPolarHBondContact O-CB 3.37Å; D88-L92 WeakPolarHBondContact O-CD1 3.41Å; D88-L92 WeakPolarHBondContact O-CG 3.04Å; D88-L92 PolarHBondContact O-N 2.97Å; D88-L389 HydrophobicContact CB-CD2 4.22Å
89L67.4Low65Low24 Ų2473.9 Ų73.913%0.12640%0.401CS..Hα-helixtrans-63.2-47.4176.1-64174.4000111.8V69 F84 T85 E86 K87 E91 L92 Y93V69-L89 HydrophobicContact CG1-CD1 4.34Å; V69-L89 HydrophobicContact CG2-CD1 3.49Å; V69-L89 VanDerWaalsContact CG2-CD1 3.49Å; V69-L89 HydrophobicContact CG2-CD2 3.84Å; V69-L89 HydrophobicContact CG2-CG 4.31Å; F84-L89 HydrophobicContact CB-CD2 4.02Å; F84-L89 HydrophobicContact CB-CG 4.07Å; F84-L89 HydrophobicContact CD2-CD2 4.05Å; F84-L89 HydrophobicContact CG-CD2 4.27Å; T85-L89 PolarHBondContact O-N 3.05Å; T85-L89 VanDerWaalsContact O-N 3.1Å; E86-L89 WeakPolarHBondContact O-CB 3.49Å; E86-L89 PolarHBondContact O-N 2.85Å; K87-L89 VanDerWaalsContact C-N 3.29Å; K87-L89 PolarHBondContact O-N 3.34Å; L89-E91 VanDerWaalsContact C-N 3.32Å; L89-E91 PolarHBondContact O-N 3.23Å; L89-L92 HydrophobicContact CD2-CD1 4.23Å; L89-L92 WeakPolarHBondContact O-CB 2.82Å; L89-L92 PolarHBondContact O-N 2.93Å; L89-Y93 WeakPolarHBondContact O-CD2 3.47Å; L89-Y93 PolarHBondContact O-N 3.17Å
90E68.6Low64.9Low83 Ų8373.5 Ų73.539%0.38841%0.409SS..Hα-helixtrans-57.9-44.1175-77.8-172.9-16500112.2E86 K87 L92 Y93 K94E86-E90 WeakPolarHBondContact O-CG 3.26Å; E86-E90 PolarHBondContact O-N 3.4Å; K87-E90 PolarHBondContact O-N 2.89Å; E90-L92 VanDerWaalsContact C-N 3.34Å; E90-Y93 PolarHBondContact O-N 3.27Å; E90-K94 WeakPolarHBondContact O-CB 3.45Å; E90-K94 VanDerWaalsContact O-CG 3.24Å; E90-K94 WeakPolarHBondContact O-CG 3.29Å; E90-K94 PolarHBondContact O-N 3.48Å; E90-K94 IonicContact OE2-NZ 3.86Å; E90-K94 PolarHBondContact OE2-NZ 3.11Å
91E67.6Low65.4Low60 Ų6075 Ų7528%0.2843%0.428SS..Hα-helixtrans-64.9-38.6177.7-77.7-172.7-169.800112K87 D88 L89 Y93 K94 V95K87-E91 WeakPolarHBondContact CE-OE1 3.32Å; K87-E91 IonicContact NZ-OE1 3.71Å; K87-E91 WeakPolarHBondContact O-CB 3.45Å; K87-E91 WeakPolarHBondContact O-CG 3.3Å; K87-E91 PolarHBondContact O-N 3.11Å; D88-E91 PolarHBondContact O-N 3.32Å; L89-E91 VanDerWaalsContact C-N 3.32Å; L89-E91 PolarHBondContact O-N 3.23Å; E91-Y93 VanDerWaalsContact C-N 3.3Å; E91-Y93 PolarHBondContact O-N 3.37Å; E91-K94 PolarHBondContact O-N 3.48Å; E91-V95 WeakPolarHBondContact O-CG2 3.48Å
92L67.2Low66.2Low5 Ų578.9 Ų78.93%0.02644%0.436CS..Hα-helixtrans-57.8-43.3172.6-73166.2000111F84 D88 L89 E90 L381 T385F84-L92 HydrophobicContact CD1-CD1 4.47Å; F84-L92 HydrophobicContact CD2-CD1 4.41Å; F84-L92 HydrophobicContact CE1-CD1 4.16Å; F84-L92 HydrophobicContact CE2-CD1 4.05Å; F84-L92 HydrophobicContact CZ-CD1 3.93Å; D88-L92 WeakPolarHBondContact O-CB 3.37Å; D88-L92 WeakPolarHBondContact O-CD1 3.41Å; D88-L92 WeakPolarHBondContact O-CG 3.04Å; D88-L92 PolarHBondContact O-N 2.97Å; L89-L92 HydrophobicContact CD2-CD1 4.23Å; L89-L92 WeakPolarHBondContact O-CB 2.82Å; L89-L92 PolarHBondContact O-N 2.93Å; E90-L92 VanDerWaalsContact C-N 3.34Å; L92-L381 HydrophobicContact CB-CD1 4.08Å; L92-L381 HydrophobicContact CB-CD2 4.13Å; L92-L381 HydrophobicContact CB-CG 4.33Å; L92-L381 HydrophobicContact CD1-CD2 4.46Å; L92-L381 HydrophobicContact CD2-CD1 4.11Å; L92-L381 HydrophobicContact CD2-CD2 4.14Å; L92-L381 HydrophobicContact CD2-CG 3.81Å; L92-L381 HydrophobicContact CG-CD2 4.49Å; L92-L381 WeakPolarHBondContact O-CD1 3.46Å; L92-T385 VanDerWaalsContact CD2-CB 3.46Å; L92-T385 HydrophobicContact CD2-CG2 3.84Å; L92-T385 WeakPolarHBondContact CD2-OG1 3.48Å
93Y64.4Low67.3Low73 Ų7379.3 Ų79.329%0.28644%0.436SS..Hα-helixtrans-80.4-28.2179.2-69.3-65.9000114.2V69 S71 L89 E90 E91 V95 F123V69-Y93 HydrophobicContact CG1-CE2 3.81Å; V69-Y93 WeakPolarHBondContact CG1-OH 3.32Å; S71-Y93 WeakPolarHBondContact CB-OH 3.24Å; L89-Y93 WeakPolarHBondContact O-CD2 3.47Å; L89-Y93 PolarHBondContact O-N 3.17Å; E90-Y93 PolarHBondContact O-N 3.27Å; E91-Y93 VanDerWaalsContact C-N 3.3Å; E91-Y93 PolarHBondContact O-N 3.37Å; Y93-V95 PolarHBondContact O-N 3.1Å; Y93-V95 VanDerWaalsContact O-N 3.14Å; Y93-F123 AromaticContact CD1-CD1 3.87Å; Y93-F123 HydrophobicContact CD1-CD1 3.87Å; Y93-F123 HydrophobicContact CD1-CD2 4.18Å; Y93-F123 AromaticContact CD1-CE1 3.9Å; Y93-F123 HydrophobicContact CD1-CE1 3.9Å; Y93-F123 HydrophobicContact CD1-CE2 4.19Å; Y93-F123 HydrophobicContact CD1-CG 4.02Å; Y93-F123 HydrophobicContact CD1-CZ 4.06Å; Y93-F123 HydrophobicContact CE1-CD1 4.5Å; Y93-F123 HydrophobicContact CE1-CG 4.35Å; Y93-F123 WeakPolarHBondContact O-CE1 3.33Å; Y93-F123 WeakPolarHBondContact O-CZ 3.27Å
94K66Low68.8Low131 Ų13178.1 Ų78.157%0.5742%0.416SS*.Hα-helixtrans-67.7-11.6178.8-78.6169.7-170.3163.70113.6E90 E91 K96E90-K94 WeakPolarHBondContact O-CB 3.45Å; E90-K94 VanDerWaalsContact O-CG 3.24Å; E90-K94 WeakPolarHBondContact O-CG 3.29Å; E90-K94 PolarHBondContact O-N 3.48Å; E90-K94 IonicContact OE2-NZ 3.86Å; E90-K94 PolarHBondContact OE2-NZ 3.11Å; E91-K94 PolarHBondContact O-N 3.48Å; K94-K96 PolarHBondContact O-N 3.37Å
95V61.2Low70.2Confident33 Ų3377.4 Ų77.420%0.241%0.413CS..G310 helixtrans-64.1-3.7-175.71730000114.5E91 Y93 S97 H384 T385E91-V95 WeakPolarHBondContact O-CG2 3.48Å; Y93-V95 PolarHBondContact O-N 3.1Å; Y93-V95 VanDerWaalsContact O-N 3.14Å; V95-S97 VanDerWaalsContact C-N 3.29Å; V95-S97 PolarHBondContact O-N 2.95Å; V95-H384 HydrophobicContact CG1-CB 4.33Å; V95-T385 HydrophobicContact CB-CG2 4.23Å; V95-T385 HydrophobicContact CG1-CG2 4.23Å; V95-T385 HydrophobicContact CG2-CG2 3.49Å; V95-T385 VanDerWaalsContact CG2-CG2 3.49Å
96K53.8Low71.7Confident167 Ų16774.2 Ų74.273%0.72639%0.393SS*.G310 helixtrans-72.7-6.3179.8-153.5179.5177.3-1780115.7K94 F123K94-K96 PolarHBondContact O-N 3.37Å; K96-F123 HydrophobicContact CB-CE1 4.42Å; K96-F123 HydrophobicContact CB-CZ 4.17Å; K96-F123 HydrophobicContact CD-CE2 4.39Å; K96-F123 HydrophobicContact CD-CZ 4.23Å
97S49.4Very low73.2Confident117 Ų11767.7 Ų67.782%0.81836%0.363SS*.G310 helixtrans-93.54.7-168.359.70000117.2V95V95-S97 VanDerWaalsContact C-N 3.29Å; V95-S97 PolarHBondContact O-N 2.95Å
98A54.5Low74.6Confident68 Ų6862.7 Ų62.756%0.56234%0.341SS*.SBendtrans-141.1148.3173.100000111.5A100A98-A100 PolarHBondContact O-N 2.93Å
99P57.7Low75.7Confident138 Ų13861.4 Ų61.490%0.89634%0.337SS*.  trans-59.2100.4167.824-30.3000108.7
100A69.7Low76.9Confident47 Ų4764.8 Ų64.839%0.38835%0.354SS..PPolyproline II helixtrans-81.6143.5170.900000108.6A98A98-A100 PolarHBondContact O-N 2.93Å
101A83.1Confident77.8Confident78 Ų7863.3 Ų63.365%0.64535%0.349SS*.PPolyproline II helixtrans-62.4137.6173.500000110.3K103 H384A101-K103 PolarHBondContact O-N 3.11Å; A101-H384 PolarHBondContact O-CE1 2.59Å
102R91.2Very high78.5Confident144 Ų14467.1 Ų67.154%0.54336%0.362SS..PPolyproline II helixtrans-49.2134.9173.8178.1171.4-69.31774.3111.2D126 E128R102-D126 WeakPolarHBondContact CA-O 3.43Å; R102-D126 WeakPolarHBondContact CA-OD2 3.46Å; R102-D126 WeakPolarHBondContact CB-OD2 3.38Å; R102-D126 IonicContact CZ-OD1 2.95Å; R102-D126 PolarHBondContact N-OD2 3.38Å; R102-D126 IonicContact NE-OD1 3.67Å; R102-D126 PolarHBondContact NE-OD1 3Å; R102-D126 IonicContact NH2-OD1 2.66Å; R102-D126 PolarHBondContact NH2-OD1 3.48Å; R102-E128 HydrophobicContact CG-CB 4.47Å; R102-E128 IonicContact NH1-OE2 2.79Å
103K93.6Very high79.2Confident45 Ų4567.1 Ų67.120%0.19636%0.362CS..EExtended strand (participates in β ladder)trans-97.2132177.5-64.8-70.6170-176.60111.9A101 D126 C127 E128 D140 A383 H384A101-K103 PolarHBondContact O-N 3.11Å; K103-D126 PolarHBondContact N-O 2.93Å; K103-C127 CarbonylContact O-C 3.57Å; K103-C127 VanDerWaalsContact O-CA 3.25Å; K103-C127 WeakPolarHBondContact O-CA 3.34Å; K103-E128 PolarHBondContact O-N 2.92Å; K103-D140 WeakPolarHBondContact CA-OD2 3.48Å; K103-D140 HydrophobicContact CB-CB 4.43Å; K103-D140 HydrophobicContact CD-CB 3.79Å; K103-D140 WeakPolarHBondContact CD-OD1 3.47Å; K103-D140 IonicContact NZ-OD1 2.74Å; K103-D140 PolarHBondContact NZ-OD1 2.74Å; K103-A383 HydrophobicContact CB-CB 4Å; K103-A383 HydrophobicContact CD-CB 4.4Å; K103-A383 WeakPolarHBondContact CE-O 3.38Å; K103-A383 HydrophobicContact CG-CB 4Å; K103-H384 WeakPolarHBondContact CG-CE1 3.13Å; K103-H384 WeakPolarHBondContact CG-NE2 3.48Å
104I95.7Very high79.6Confident31 Ų3166.2 Ų66.216%0.15936%0.362CS..EExtended strand (participates in β ladder)trans-93.8119.4176.9-61.6174.9000108.8I130 A139 D140 V141I104-I130 HydrophobicContact CG2-CD1 3.4Å; I104-I130 HydrophobicContact CG2-CG1 3.67Å; I104-I130 HydrophobicContact CG2-CG2 4.4Å; I104-A139 HydrophobicContact CG2-CB 4.06Å; I104-D140 PolarHBondContact N-OD2 2.94Å; I104-D140 PolarHBondContact O-N 2.88Å; I104-V141 PolarHBondContact O-N 2.76Å
105I96Very high80Confident0 Ų063.1 Ų63.10%035%0.351CS..EExtended strand (participates in β ladder)trans-106.5126.3174.3-59167.6000107.1F119 C127 E128 L129 I130 V141 I143 I379I105-F119 HydrophobicContact CD1-CE1 3.57Å; I105-F119 HydrophobicContact CD1-CE2 4.32Å; I105-F119 HydrophobicContact CD1-CZ 3.42Å; I105-F119 VanDerWaalsContact CD1-CZ 3.42Å; I105-C127 HydrophobicContact CD1-CB 3.68Å; I105-C127 HydrophobicContact CG1-CB 4.42Å; I105-E128 PolarHBondContact N-O 3.17Å; I105-L129 HydrophobicContact CB-CD1 4.24Å; I105-L129 HydrophobicContact CG2-CD1 3.81Å; I105-L129 CarbonylContact O-C 3.55Å; I105-L129 WeakPolarHBondContact O-CA 3.24Å; I105-L129 WeakPolarHBondContact O-CD1 3.31Å; I105-I130 WeakPolarHBondContact O-CG1 3.23Å; I105-I130 PolarHBondContact O-N 2.93Å; I105-V141 CarbonylContact C-O 3.51Å; I105-V141 HydrophobicContact CB-CB 4.35Å; I105-V141 HydrophobicContact CG1-CB 4.04Å; I105-V141 HydrophobicContact CG1-CG2 4.27Å; I105-V141 HydrophobicContact CG2-CB 4.22Å; I105-V141 HydrophobicContact CG2-CG1 4.2Å; I105-I143 HydrophobicContact CG2-CD1 3.46Å; I105-I143 VanDerWaalsContact CG2-CD1 3.46Å; I105-I143 HydrophobicContact CG2-CG1 3.9Å; I105-I379 HydrophobicContact CD1-CG2 3.75Å; I105-I379 HydrophobicContact CG1-CG2 4.28Å; I105-I379 HydrophobicContact CG2-CG2 4.29Å
106L97Very high80.8Confident0 Ų061.5 Ų61.50%034%0.341CS..EExtended strand (participates in β ladder)trans-111.8120.9-179.9173.560.7000110.3Y108 I130 D132 W136 A139 V141 I142 I143L106-Y108 HydrophobicContact CD2-CD2 3.89Å; L106-Y108 HydrophobicContact CG-CD2 4.38Å; L106-Y108 PolarHBondContact O-N 2.03Å; L106-I130 WeakPolarHBondContact CA-O 3.44Å; L106-I130 HydrophobicContact CB-CD1 4.28Å; L106-I130 HydrophobicContact CB-CG1 3.96Å; L106-I130 HydrophobicContact CD1-CD1 4.07Å; L106-I130 HydrophobicContact CD1-CG1 3.8Å; L106-I130 HydrophobicContact CG-CG1 4.45Å; L106-D132 WeakPolarHBondContact CD1-O 3.41Å; L106-W136 HydrophobicContact CD2-CB 3.49Å; L106-W136 VanDerWaalsContact CD2-CB 3.49Å; L106-A139 HydrophobicContact CB-CB 3.73Å; L106-A139 HydrophobicContact CD2-CB 4.33Å; L106-V141 PolarHBondContact N-O 2.82Å; L106-I142 HydrophobicContact CB-CD1 4.08Å; L106-I142 HydrophobicContact CD2-CD1 3.83Å; L106-I142 HydrophobicContact CG-CD1 4.38Å; L106-I143 PolarHBondContact O-N 2.79Å
107N96.3Very high81.9Confident5 Ų561.8 Ų61.83%0.02734%0.338CS..EExtended strand (participates in β ladder)trans-70120.6161.5-178.9-42.8000108.8L111 I113 L129 I130 F131N107-L111 PolarHBondContact ND2-O 2.89Å; N107-L111 PolarHBondContact OD1-O 3.36Å; N107-I113 WeakPolarHBondContact ND2-CG1 3.36Å; N107-I113 PolarHBondContact ND2-N 2.96Å; N107-L129 HydrophobicContact CB-CD1 4.32Å; N107-I130 PolarHBondContact N-O 3.31Å; N107-F131 HydrophobicContact CB-CD1 3.74Å; N107-F131 HydrophobicContact CB-CE1 3.94Å
108Y96Very high83.4Confident30 Ų3059.9 Ų59.912%0.11832%0.319CS..EExtended strand (participates in β ladder)trans-123.690.4-177.1-160.3-74.1000110.6L106 R133 W136 I142 I143 L144 T145 L148 Y149 P150L106-Y108 HydrophobicContact CD2-CD2 3.89Å; L106-Y108 HydrophobicContact CG-CD2 4.38Å; L106-Y108 PolarHBondContact O-N 2.03Å; Y108-R133 HydrophobicContact CD2-CB 4.07Å; Y108-R133 HydrophobicContact CD2-CG 4.01Å; Y108-R133 HydrophobicContact CE2-CB 3.78Å; Y108-R133 HydrophobicContact CE2-CG 4.14Å; Y108-R133 HydrophobicContact CG-CG 4.38Å; Y108-W136 HydrophobicContact CD2-CB 4.12Å; Y108-W136 HydrophobicContact CE2-CB 3.89Å; Y108-W136 HydrophobicContact CE2-CG 4.23Å; Y108-I142 HydrophobicContact CD2-CG2 4.36Å; Y108-I142 HydrophobicContact CG-CG2 4.05Å; Y108-I143 PolarHBondContact N-O 3.38Å; Y108-L144 HydrophobicContact CD1-CD2 3.99Å; Y108-L144 HydrophobicContact CG-CD2 4.26Å; Y108-L144 WeakPolarHBondContact O-CA 3.44Å; Y108-T145 PolarHBondContact O-N 3.21Å; Y108-L148 HydrophobicContact CD1-CB 4.43Å; Y108-L148 HydrophobicContact CE1-CB 4.22Å; Y108-Y149 VanDerWaalsContact CE1-CA 3.42Å; Y108-P150 HydrophobicContact CD2-CG 4Å; Y108-P150 HydrophobicContact CE1-CG 4.19Å; Y108-P150 HydrophobicContact CE2-CB 4.46Å; Y108-P150 HydrophobicContact CE2-CG 3.63Å; Y108-P150 HydrophobicContact CG-CG 4.42Å; Y108-P150 WeakPolarHBondContact OH-CA 3.33Å
109G93.7Very high84.8Confident11 Ų1157 Ų5711%0.11329%0.294CS..SBendtrans166.7-171.7173.900000109.3R133 T145G109-R133 PolarHBondContact O-NH1 3.41Å; G109-T145 VanDerWaalsContact CA-OG1 3.3Å; G109-T145 WeakPolarHBondContact CA-OG1 3.29Å
110D91.6Very high85.9Confident94 Ų9454.7 Ų54.750%0.50328%0.28SS..SBendtrans-90.1-13.1179.3-62.8-26.5000112.2R133 D146 L148D110-R133 IonicContact OD1-CZ 3.8Å; D110-R133 IonicContact OD1-NH1 3.86Å; D110-R133 PolarHBondContact OD1-NH1 2.78Å; D110-R133 IonicContact OD1-NH2 3.29Å; D110-D146 PolarHBondContact N-OD2 2.98Å; D110-L148 WeakPolarHBondContact OD1-CD1 3.28Å
111L88Confident86.3Confident53 Ų5356.3 Ų56.328%0.27728%0.279SS..SBendtrans-90.8131175.7-54.2175.1000112.4N107 T145 I171N107-L111 PolarHBondContact ND2-O 2.89Å; N107-L111 PolarHBondContact OD1-O 3.36Å; L111-T145 VanDerWaalsContact CD1-O 3.28Å; L111-T145 WeakPolarHBondContact CD1-O 3.2Å; L111-T145 PolarHBondContact O-OG1 2.91Å; L111-I171 HydrophobicContact CD1-CD1 3.05Å; L111-I171 HydrophobicContact CD1-CG1 4.46Å; L111-I171 HydrophobicContact CD2-CD1 3.96Å; L111-I171 HydrophobicContact CG-CD1 3.93Å
112Y83.6Confident86Confident139 Ų13953 Ų5355%0.54525%0.25SS..  trans-87.1125.5176.2-66.3-100.6000110.6E35 N114 F131E35-Y112 WeakPolarHBondContact OE1-CA 3.42Å; E35-Y112 VanDerWaalsContact OE1-CB 3.29Å; E35-Y112 WeakPolarHBondContact OE1-CB 3.46Å; E35-Y112 PolarHBondContact OE1-N 3.39Å; E35-Y112 VanDerWaalsContact OE1-N 3.13Å; Y112-N114 PolarHBondContact O-N 3.45Å; Y112-N114 VanDerWaalsContact O-N 3.17Å; Y112-F131 AromaticContact CD1-CD1 3.54Å; Y112-F131 HydrophobicContact CD1-CD1 3.54Å; Y112-F131 AromaticContact CD1-CE1 3.63Å; Y112-F131 HydrophobicContact CD1-CE1 3.63Å; Y112-F131 HydrophobicContact CD1-CG 4.43Å; Y112-F131 AromaticContact CE1-CD1 3.76Å; Y112-F131 HydrophobicContact CE1-CD1 3.76Å; Y112-F131 HydrophobicContact CE1-CE1 4.29Å; Y112-F131 HydrophobicContact CE1-CG 4.29Å
113I80.4Confident85Confident5 Ų549.6 Ų49.63%0.02624%0.24CC..  trans-84.896176.1-53.4162.1000108.5N107 I115 I116 I143 T145 F163N107-I113 WeakPolarHBondContact ND2-CG1 3.36Å; N107-I113 PolarHBondContact ND2-N 2.96Å; I113-I115 VanDerWaalsContact C-N 3.34Å; I113-I115 HydrophobicContact CG2-CG1 3.7Å; I113-I115 PolarHBondContact O-N 3.43Å; I113-I116 HydrophobicContact CB-CD1 4.28Å; I113-I116 HydrophobicContact CD1-CD1 4.01Å; I113-I116 HydrophobicContact CG2-CB 4.06Å; I113-I116 HydrophobicContact CG2-CD1 3.58Å; I113-I116 HydrophobicContact CG2-CG1 3.61Å; I113-I143 HydrophobicContact CD1-CB 4.1Å; I113-I143 HydrophobicContact CD1-CD1 4.2Å; I113-I143 HydrophobicContact CD1-CG2 3.44Å; I113-I143 VanDerWaalsContact CD1-CG2 3.44Å; I113-T145 HydrophobicContact CD1-CG2 3.54Å; I113-T145 HydrophobicContact CG1-CG2 3.6Å; I113-F163 HydrophobicContact CD1-CB 3.92Å; I113-F163 HydrophobicContact CD1-CD1 4.02Å; I113-F163 HydrophobicContact CD1-CD2 4.23Å; I113-F163 HydrophobicContact CD1-CG 3.79Å; I113-F163 HydrophobicContact CG1-CD1 3.8Å; I113-F163 HydrophobicContact CG1-CE1 4.15Å; I113-F163 HydrophobicContact CG1-CG 4.1Å; I113-F163 HydrophobicContact CG2-CD1 4.34Å; I113-F163 HydrophobicContact CG2-CD2 4.34Å; I113-F163 HydrophobicContact CG2-CE1 3.98Å; I113-F163 HydrophobicContact CG2-CE2 3.96Å; I113-F163 HydrophobicContact CG2-CZ 3.78Å
114N73Confident83.8Confident55 Ų5548.2 Ų48.229%0.29424%0.237SC..THydrogen-bonded Turntrans-73.4-23.8-177.7-73.1-37.4000114.9E35 Y112 I116 R117E35-N114 PolarHBondContact OE2-ND2 3.01Å; Y112-N114 PolarHBondContact O-N 3.45Å; Y112-N114 VanDerWaalsContact O-N 3.17Å; N114-I116 VanDerWaalsContact C-N 3.29Å; N114-I116 PolarHBondContact O-N 2.95Å; N114-R117 WeakPolarHBondContact O-CD 3.03Å; N114-R117 WeakPolarHBondContact O-CG 3.39Å; N114-R117 PolarHBondContact O-NE 2.98Å; N114-R117 PolarHBondContact OD1-NE 3.32Å; N114-R117 PolarHBondContact OD1-NH2 3.03Å
115I74.7Confident82.8Confident65 Ų6550 Ų5033%0.33325%0.251SS..THydrogen-bonded Turntrans-77-18.3-177.665.2174.8000112.7I113 F163 L195 P375 Q376I113-I115 VanDerWaalsContact C-N 3.34Å; I113-I115 HydrophobicContact CG2-CG1 3.7Å; I113-I115 PolarHBondContact O-N 3.43Å; I115-F163 HydrophobicContact CD1-CE2 3.82Å; I115-F163 HydrophobicContact CD1-CZ 3.59Å; I115-F163 HydrophobicContact CG1-CE2 4.37Å; I115-F163 HydrophobicContact CG1-CZ 4.13Å; I115-L195 HydrophobicContact CD1-CD1 4.36Å; I115-L195 HydrophobicContact CD1-CD2 3.73Å; I115-P375 HydrophobicContact CD1-CG 3.52Å; I115-P375 HydrophobicContact CG1-CG 4.12Å; I115-Q376 PolarHBondContact O-NE2 3.08Å; I115-Q376 PolarHBondContact O-OE1 2.85Å
116I78.4Confident82.4Confident0 Ų052.8 Ų52.80%027%0.266CS..  trans-101.294.1175.4-55.6171.9000106.6I113 N114 F119 L129 I143 F163 P375 Q376 I379I113-I116 HydrophobicContact CB-CD1 4.28Å; I113-I116 HydrophobicContact CD1-CD1 4.01Å; I113-I116 HydrophobicContact CG2-CB 4.06Å; I113-I116 HydrophobicContact CG2-CD1 3.58Å; I113-I116 HydrophobicContact CG2-CG1 3.61Å; N114-I116 VanDerWaalsContact C-N 3.29Å; N114-I116 PolarHBondContact O-N 2.95Å; I116-F119 HydrophobicContact CG2-CE1 4.06Å; I116-F119 HydrophobicContact CG2-CE2 4.24Å; I116-F119 HydrophobicContact CG2-CZ 3.45Å; I116-F119 VanDerWaalsContact CG2-CZ 3.45Å; I116-L129 HydrophobicContact CB-CD2 4.29Å; I116-L129 HydrophobicContact CG2-CD1 4.49Å; I116-L129 HydrophobicContact CG2-CD2 4.03Å; I116-L129 WeakPolarHBondContact O-CD2 3.48Å; I116-I143 HydrophobicContact CD1-CD1 3.74Å; I116-F163 HydrophobicContact CD1-CD2 4.48Å; I116-P375 HydrophobicContact CG1-CG 4.46Å; I116-Q376 HydrophobicContact CB-CB 4.17Å; I116-Q376 HydrophobicContact CG1-CB 4.1Å; I116-Q376 HydrophobicContact CG2-CB 3.8Å; I116-I379 HydrophobicContact CD1-CD1 3.35Å; I116-I379 HydrophobicContact CG1-CD1 4.23Å
117R75.8Confident82.1Confident172 Ų17253.4 Ų53.465%0.64927%0.271SS*.  trans-138.7-31.2177.5-76-178.6177.4-126.32.3113.6N114N114-R117 WeakPolarHBondContact O-CD 3.03Å; N114-R117 WeakPolarHBondContact O-CG 3.39Å; N114-R117 PolarHBondContact O-NE 2.98Å; N114-R117 PolarHBondContact OD1-NE 3.32Å; N114-R117 PolarHBondContact OD1-NH2 3.03Å
118N80.7Confident82Confident78 Ų7856.7 Ų56.742%0.41729%0.286SS..  trans-129.4121.9-175.5-174.89.1000109.4S120 F121N118-S120 PolarHBondContact ND2-OG 3.37Å; N118-S120 VanDerWaalsContact ND2-OG 3.13Å; N118-S120 WeakPolarHBondContact OD1-CB 3.46Å; N118-S120 PolarHBondContact OD1-N 3.04Å; N118-S120 PolarHBondContact OD1-OG 3.2Å; N118-F121 HydrophobicContact CB-CD1 4.47Å; N118-F121 HydrophobicContact CB-CE1 3.92Å; N118-F121 WeakPolarHBondContact O-CE1 3.21Å; N118-F121 VanDerWaalsContact O-CZ 3.3Å; N118-F121 WeakPolarHBondContact O-CZ 3.34Å
119F85.2Confident81.9Confident8 Ų856.5 Ų56.54%0.03529%0.287CS..  trans-102.3-3.8176.3-59-87.7000112I105 I116 F121 C122 C125 C127 L129 Q376 C380I105-F119 HydrophobicContact CD1-CE1 3.57Å; I105-F119 HydrophobicContact CD1-CE2 4.32Å; I105-F119 HydrophobicContact CD1-CZ 3.42Å; I105-F119 VanDerWaalsContact CD1-CZ 3.42Å; I116-F119 HydrophobicContact CG2-CE1 4.06Å; I116-F119 HydrophobicContact CG2-CE2 4.24Å; I116-F119 HydrophobicContact CG2-CZ 3.45Å; I116-F119 VanDerWaalsContact CG2-CZ 3.45Å; F119-F121 PolarHBondContact O-N 2.82Å; F119-F121 VanDerWaalsContact O-N 3.08Å; F119-C122 VanDerWaalsContact O-CB 3.27Å; F119-C122 WeakPolarHBondContact O-CB 3.43Å; F119-C122 PolarHBondContact O-N 3.21Å; F119-C125 WeakPolarHBondContact CB-O 3.39Å; F119-C125 WeakPolarHBondContact O-CA 3.45Å; F119-C125 WeakPolarHBondContact O-CB 3.39Å; F119-C127 HydrophobicContact CD1-CB 4.01Å; F119-C127 HydrophobicContact CD2-CB 4.14Å; F119-C127 VanDerWaalsContact CD2-O 3.28Å; F119-C127 WeakPolarHBondContact CD2-O 3.31Å; F119-C127 HydrophobicContact CE1-CB 4.16Å; F119-C127 HydrophobicContact CE2-CB 4.32Å; F119-C127 HydrophobicContact CG-CB 3.99Å; F119-C127 HydrophobicContact CZ-CB 4.33Å; F119-L129 HydrophobicContact CE2-CB 4.06Å; F119-L129 HydrophobicContact CZ-CB 4.49Å; F119-Q376 HydrophobicContact CD1-CB 3.99Å; F119-Q376 WeakPolarHBondContact CD1-O 3.38Å; F119-Q376 HydrophobicContact CE1-CB 3.65Å; F119-Q376 VanDerWaalsContact CE1-O 3.28Å; F119-Q376 WeakPolarHBondContact CE1-O 3.43Å; F119-Q376 HydrophobicContact CZ-CB 4.32Å; F119-C380 HydrophobicContact CD1-CB 3.64Å; F119-C380 HydrophobicContact CE1-CB 3.94Å
120S81.4Confident81.9Confident88 Ų8856.4 Ų56.462%0.61528%0.283SS*.THydrogen-bonded Turntrans-61.9-23.5-171.475.30000114.3N118N118-S120 PolarHBondContact ND2-OG 3.37Å; N118-S120 VanDerWaalsContact ND2-OG 3.13Å; N118-S120 WeakPolarHBondContact OD1-CB 3.46Å; N118-S120 PolarHBondContact OD1-N 3.04Å; N118-S120 PolarHBondContact OD1-OG 3.2Å
121F76.8Confident82.1Confident81 Ų8155.8 Ų55.836%0.35528%0.276SS..THydrogen-bonded Turntrans-97-3177.857.9-98.4000113.3N118 F119 M374 Q376 C377N118-F121 HydrophobicContact CB-CD1 4.47Å; N118-F121 HydrophobicContact CB-CE1 3.92Å; N118-F121 WeakPolarHBondContact O-CE1 3.21Å; N118-F121 VanDerWaalsContact O-CZ 3.3Å; N118-F121 WeakPolarHBondContact O-CZ 3.34Å; F119-F121 PolarHBondContact O-N 2.82Å; F119-F121 VanDerWaalsContact O-N 3.08Å; F121-M374 HydrophobicContact CD2-CE 4.21Å; F121-M374 HydrophobicContact CD2-SD 3.92Å; F121-M374 HydrophobicContact CE2-CE 3.7Å; F121-M374 HydrophobicContact CE2-CG 4.22Å; F121-M374 HydrophobicContact CE2-SD 3.36Å; F121-M374 WeakPolarHBondContact CE2-SD 3.3Å; F121-M374 HydrophobicContact CZ-CE 4.19Å; F121-M374 HydrophobicContact CZ-SD 4.27Å; F121-Q376 HydrophobicContact CE2-CG 4.46Å; F121-Q376 HydrophobicContact CZ-CG 4.24Å; F121-C377 VanDerWaalsContact CE2-SG 3.58Å
122C77.5Confident82.5Confident8 Ų857 Ų575%0.05428%0.283CS..SBendtrans-79.6150.2178.9-61.40000110.7F119 A124 C125 C377F119-C122 VanDerWaalsContact O-CB 3.27Å; F119-C122 WeakPolarHBondContact O-CB 3.43Å; F119-C122 PolarHBondContact O-N 3.21Å; C122-A124 VanDerWaalsContact C-N 3.31Å; C122-A124 WeakPolarHBondContact CB-O 3.26Å; C122-A124 PolarHBondContact O-N 3.33Å; C122-C125 WeakPolarHBondContact O-CB 3.47Å; C122-C377 WeakPolarHBondContact CA-SG 3.27Å; C122-C377 HydrophobicContact CB-CB 3.63Å; C122-C377 WeakPolarHBondContact CB-SG 3.37Å; C122-C377 WeakPolarHBondContact SG-CA 3.37Å; C122-C377 WeakPolarHBondContact SG-CB 3.39Å; C122-C377 CovalentContact SG-SG 2.05Å; C122-C377 PolarHBondContact SG-SG 2.83Å
123F69.4Low83.1Confident74 Ų7454.9 Ų54.933%0.32527%0.274SS..SBendtrans-57.9-44.9175.7-177-90.8000112.2M73 Y93 K96M73-F123 HydrophobicContact SD-CB 4.19Å; Y93-F123 AromaticContact CD1-CD1 3.87Å; Y93-F123 HydrophobicContact CD1-CD1 3.87Å; Y93-F123 HydrophobicContact CD1-CD2 4.18Å; Y93-F123 AromaticContact CD1-CE1 3.9Å; Y93-F123 HydrophobicContact CD1-CE1 3.9Å; Y93-F123 HydrophobicContact CD1-CE2 4.19Å; Y93-F123 HydrophobicContact CD1-CG 4.02Å; Y93-F123 HydrophobicContact CD1-CZ 4.06Å; Y93-F123 HydrophobicContact CE1-CD1 4.5Å; Y93-F123 HydrophobicContact CE1-CG 4.35Å; Y93-F123 WeakPolarHBondContact O-CE1 3.33Å; Y93-F123 WeakPolarHBondContact O-CZ 3.27Å; K96-F123 HydrophobicContact CB-CE1 4.42Å; K96-F123 HydrophobicContact CB-CZ 4.17Å; K96-F123 HydrophobicContact CD-CE2 4.39Å; K96-F123 HydrophobicContact CD-CZ 4.23Å
124A69.4Low83.8Confident16 Ų1658.7 Ų58.713%0.13230%0.302CS..SBendtrans-96.4114.1161.400000107.9C122 C380 L381C122-A124 VanDerWaalsContact C-N 3.31Å; C122-A124 WeakPolarHBondContact CB-O 3.26Å; C122-A124 PolarHBondContact O-N 3.33Å; A124-C380 PolarHBondContact O-SG 3.13Å; A124-L381 HydrophobicContact CB-CB 4.45Å; A124-L381 HydrophobicContact CB-CD1 4.34Å
125C75Confident85Confident68 Ų6860.2 Ų60.246%0.45930%0.303SS..  trans-117.3-13.5-170.960.80000115.4F119 C122 C127F119-C125 WeakPolarHBondContact CB-O 3.39Å; F119-C125 WeakPolarHBondContact O-CA 3.45Å; F119-C125 WeakPolarHBondContact O-CB 3.39Å; C122-C125 WeakPolarHBondContact O-CB 3.47Å; C125-C127 PolarHBondContact O-N 2.74Å
126D87.3Confident86.1Confident59 Ų5958.6 Ų58.632%0.31629%0.293SS..  trans-84.765.9-178.9-160.824.7000111.4R102 K103 H384R102-D126 WeakPolarHBondContact CA-O 3.43Å; R102-D126 WeakPolarHBondContact CA-OD2 3.46Å; R102-D126 WeakPolarHBondContact CB-OD2 3.38Å; R102-D126 IonicContact CZ-OD1 2.95Å; R102-D126 PolarHBondContact N-OD2 3.38Å; R102-D126 IonicContact NE-OD1 3.67Å; R102-D126 PolarHBondContact NE-OD1 3Å; R102-D126 IonicContact NH2-OD1 2.66Å; R102-D126 PolarHBondContact NH2-OD1 3.48Å; K103-D126 PolarHBondContact N-O 2.93Å; D126-H384 PolarHBondContact O-NE2 3.4Å; D126-H384 VanDerWaalsContact O-NE2 3.13Å
127C91Very high87Confident13 Ų1363.7 Ų63.79%0.08832%0.32CS..EExtended strand (participates in β ladder)trans-127.5146.8170.9-63.80000110.4K103 I105 F119 C125 C380K103-C127 CarbonylContact O-C 3.57Å; K103-C127 VanDerWaalsContact O-CA 3.25Å; K103-C127 WeakPolarHBondContact O-CA 3.34Å; I105-C127 HydrophobicContact CD1-CB 3.68Å; I105-C127 HydrophobicContact CG1-CB 4.42Å; F119-C127 HydrophobicContact CD1-CB 4.01Å; F119-C127 HydrophobicContact CD2-CB 4.14Å; F119-C127 VanDerWaalsContact CD2-O 3.28Å; F119-C127 WeakPolarHBondContact CD2-O 3.31Å; F119-C127 HydrophobicContact CE1-CB 4.16Å; F119-C127 HydrophobicContact CE2-CB 4.32Å; F119-C127 HydrophobicContact CG-CB 3.99Å; F119-C127 HydrophobicContact CZ-CB 4.33Å; C125-C127 PolarHBondContact O-N 2.74Å; C127-C380 HydrophobicContact CB-CB 3.84Å; C127-C380 WeakPolarHBondContact CB-SG 3.47Å; C127-C380 WeakPolarHBondContact SG-CA 3.36Å; C127-C380 WeakPolarHBondContact SG-CB 3.38Å; C127-C380 CovalentContact SG-SG 2.03Å; C127-C380 PolarHBondContact SG-SG 3.07Å
128E92.7Very high87.9Confident73 Ų7360.2 Ų60.234%0.34131%0.311SS..EExtended strand (participates in β ladder)trans-120.8131.7176.4179.4-178.6159.300109.5R102 K103 I105 I130R102-E128 HydrophobicContact CG-CB 4.47Å; R102-E128 IonicContact NH1-OE2 2.79Å; K103-E128 PolarHBondContact O-N 2.92Å; I105-E128 PolarHBondContact N-O 3.17Å; E128-I130 HydrophobicContact CG-CG2 4.08Å; E128-I130 WeakPolarHBondContact OE1-CG2 3.34Å
129L93.9Very high88.7Confident27 Ų2756.7 Ų56.714%0.14129%0.292CS..EExtended strand (participates in β ladder)trans-93.2124.5170.8-178.767.9000110I105 N107 I116 F119 F131I105-L129 HydrophobicContact CB-CD1 4.24Å; I105-L129 HydrophobicContact CG2-CD1 3.81Å; I105-L129 CarbonylContact O-C 3.55Å; I105-L129 WeakPolarHBondContact O-CA 3.24Å; I105-L129 WeakPolarHBondContact O-CD1 3.31Å; N107-L129 HydrophobicContact CB-CD1 4.32Å; I116-L129 HydrophobicContact CB-CD2 4.29Å; I116-L129 HydrophobicContact CG2-CD1 4.49Å; I116-L129 HydrophobicContact CG2-CD2 4.03Å; I116-L129 WeakPolarHBondContact O-CD2 3.48Å; F119-L129 HydrophobicContact CE2-CB 4.06Å; F119-L129 HydrophobicContact CZ-CB 4.49Å; L129-F131 HydrophobicContact CD2-CE1 4.1Å; L129-F131 HydrophobicContact CD2-CE2 3.97Å; L129-F131 HydrophobicContact CD2-CZ 3.44Å; L129-F131 VanDerWaalsContact CD2-CZ 3.44Å; L129-F131 HydrophobicContact CG-CE2 4.02Å; L129-F131 HydrophobicContact CG-CZ 3.91Å
130I94.9Very high89.3Confident9 Ų958.4 Ų58.45%0.04630%0.302CS..EExtended strand (participates in β ladder)trans-116.6161.117363.3163.1000110.8I104 I105 L106 N107 E128 R135I104-I130 HydrophobicContact CG2-CD1 3.4Å; I104-I130 HydrophobicContact CG2-CG1 3.67Å; I104-I130 HydrophobicContact CG2-CG2 4.4Å; I105-I130 WeakPolarHBondContact O-CG1 3.23Å; I105-I130 PolarHBondContact O-N 2.93Å; L106-I130 WeakPolarHBondContact CA-O 3.44Å; L106-I130 HydrophobicContact CB-CD1 4.28Å; L106-I130 HydrophobicContact CB-CG1 3.96Å; L106-I130 HydrophobicContact CD1-CD1 4.07Å; L106-I130 HydrophobicContact CD1-CG1 3.8Å; L106-I130 HydrophobicContact CG-CG1 4.45Å; N107-I130 PolarHBondContact N-O 3.31Å; E128-I130 HydrophobicContact CG-CG2 4.08Å; E128-I130 WeakPolarHBondContact OE1-CG2 3.34Å; I130-R135 HydrophobicContact CD1-CB 3.87Å
131F94.8Very high90Very high80 Ų8054.2 Ų54.235%0.35127%0.272SS..  trans-126-8.6-176.9-61.8-90.8000113.4N107 Y112 L129 R133N107-F131 HydrophobicContact CB-CD1 3.74Å; N107-F131 HydrophobicContact CB-CE1 3.94Å; Y112-F131 AromaticContact CD1-CD1 3.54Å; Y112-F131 HydrophobicContact CD1-CD1 3.54Å; Y112-F131 AromaticContact CD1-CE1 3.63Å; Y112-F131 HydrophobicContact CD1-CE1 3.63Å; Y112-F131 HydrophobicContact CD1-CG 4.43Å; Y112-F131 AromaticContact CE1-CD1 3.76Å; Y112-F131 HydrophobicContact CE1-CD1 3.76Å; Y112-F131 HydrophobicContact CE1-CE1 4.29Å; Y112-F131 HydrophobicContact CE1-CG 4.29Å; L129-F131 HydrophobicContact CD2-CE1 4.1Å; L129-F131 HydrophobicContact CD2-CE2 3.97Å; L129-F131 HydrophobicContact CD2-CZ 3.44Å; L129-F131 VanDerWaalsContact CD2-CZ 3.44Å; L129-F131 HydrophobicContact CG-CE2 4.02Å; L129-F131 HydrophobicContact CG-CZ 3.91Å; F131-R133 PolarHBondContact O-N 2.87Å; F131-R133 VanDerWaalsContact O-N 3.09Å
132D96.2Very high91Very high80 Ų8050.3 Ų50.343%0.42826%0.255SS..  trans-75101.9177.2179.10.1000109.9L106 S134 R135L106-D132 WeakPolarHBondContact CD1-O 3.41Å; D132-S134 PolarHBondContact O-N 3.28Å; D132-S134 VanDerWaalsContact O-N 3.11Å; D132-S134 VanDerWaalsContact OD1-CB 3.3Å; D132-S134 WeakPolarHBondContact OD1-CB 3.17Å; D132-S134 PolarHBondContact OD1-N 2.69Å; D132-S134 PolarHBondContact OD1-OG 3.36Å; D132-S134 PolarHBondContact OD2-OG 3.34Å; D132-S134 VanDerWaalsContact OD2-OG 3.1Å; D132-R135 HydrophobicContact CB-CG 4.28Å; D132-R135 WeakPolarHBondContact O-CB 3.46Å; D132-R135 PolarHBondContact O-N 2.88Å
133R96.1Very high92Very high93 Ų9350 Ų5035%0.35125%0.253SS..G310 helixtrans-60.6-19.7-179.2-64-169.4-62.4-1521.6113.8Y108 G109 D110 F131 R135 W136Y108-R133 HydrophobicContact CD2-CB 4.07Å; Y108-R133 HydrophobicContact CD2-CG 4.01Å; Y108-R133 HydrophobicContact CE2-CB 3.78Å; Y108-R133 HydrophobicContact CE2-CG 4.14Å; Y108-R133 HydrophobicContact CG-CG 4.38Å; G109-R133 PolarHBondContact O-NH1 3.41Å; D110-R133 IonicContact OD1-CZ 3.8Å; D110-R133 IonicContact OD1-NH1 3.86Å; D110-R133 PolarHBondContact OD1-NH1 2.78Å; D110-R133 IonicContact OD1-NH2 3.29Å; F131-R133 PolarHBondContact O-N 2.87Å; F131-R133 VanDerWaalsContact O-N 3.09Å; R133-R135 PolarHBondContact O-N 3.29Å; R133-W136 VanDerWaalsContact O-CD1 3.29Å; R133-W136 PolarHBondContact O-N 3.35Å
134S96.4Very high93.2Very high86 Ų8646.4 Ų46.460%0.60124%0.237SC*.G310 helixtrans-69-25.217775.30000112.3D132 W136D132-S134 PolarHBondContact O-N 3.28Å; D132-S134 VanDerWaalsContact O-N 3.11Å; D132-S134 VanDerWaalsContact OD1-CB 3.3Å; D132-S134 WeakPolarHBondContact OD1-CB 3.17Å; D132-S134 PolarHBondContact OD1-N 2.69Å; D132-S134 PolarHBondContact OD1-OG 3.36Å; D132-S134 PolarHBondContact OD2-OG 3.34Å; D132-S134 VanDerWaalsContact OD2-OG 3.1Å; S134-W136 PolarHBondContact O-N 2.88Å
135R97.2Very high94.4Very high86 Ų8645.7 Ų45.733%0.32523%0.231SC..G310 helixtrans-8314.5178.8-63.2174.762.7-163.8-4.7113.6I130 D132 R133 L137 E138 A139I130-R135 HydrophobicContact CD1-CB 3.87Å; D132-R135 HydrophobicContact CB-CG 4.28Å; D132-R135 WeakPolarHBondContact O-CB 3.46Å; D132-R135 PolarHBondContact O-N 2.88Å; R133-R135 PolarHBondContact O-N 3.29Å; R135-L137 PolarHBondContact O-N 2.78Å; R135-L137 VanDerWaalsContact O-N 3.15Å; R135-E138 HydrophobicContact CB-CG 3.97Å; R135-E138 IonicContact CZ-OE1 3.56Å; R135-E138 IonicContact NE-OE1 2.84Å; R135-E138 PolarHBondContact NE-OE1 3.43Å; R135-E138 IonicContact NH2-OE1 3.36Å; R135-E138 PolarHBondContact NH2-OE1 2.8Å; R135-E138 WeakPolarHBondContact O-CG 3.5Å; R135-E138 PolarHBondContact O-N 2.92Å; R135-A139 PolarHBondContact O-N 3.29Å
136W97.4Very high95.2Very high32 Ų3242.9 Ų42.912%0.12121%0.212CC..G310 helixtrans-63.4-22.3-177.277.5-86.2000114.1L106 Y108 R133 S134 I142 P150 P153 Q158L106-W136 HydrophobicContact CD2-CB 3.49Å; L106-W136 VanDerWaalsContact CD2-CB 3.49Å; Y108-W136 HydrophobicContact CD2-CB 4.12Å; Y108-W136 HydrophobicContact CE2-CB 3.89Å; Y108-W136 HydrophobicContact CE2-CG 4.23Å; R133-W136 VanDerWaalsContact O-CD1 3.29Å; R133-W136 PolarHBondContact O-N 3.35Å; S134-W136 PolarHBondContact O-N 2.88Å; W136-I142 HydrophobicContact CB-CD1 3.92Å; W136-P150 HydrophobicContact CB-CG 4.21Å; W136-P150 HydrophobicContact CD2-CB 3.47Å; W136-P150 VanDerWaalsContact CD2-CB 3.47Å; W136-P150 HydrophobicContact CD2-CG 3.79Å; W136-P150 HydrophobicContact CE3-CB 3.45Å; W136-P150 VanDerWaalsContact CE3-CB 3.45Å; W136-P150 HydrophobicContact CE3-CG 3.68Å; W136-P150 HydrophobicContact CG-CB 4.07Å; W136-P150 HydrophobicContact CG-CG 4.03Å; W136-P150 HydrophobicContact CH2-CB 3.95Å; W136-P150 HydrophobicContact CZ2-CB 3.98Å; W136-P150 HydrophobicContact CZ3-CB 3.69Å; W136-P150 HydrophobicContact CZ3-CG 4.31Å; W136-P153 WeakPolarHBondContact CH2-O 3.45Å; W136-Q158 PolarHBondContact O-NE2 3.08Å
137L97.5Very high95.5Very high107 Ų10745 Ų4556%0.5622%0.22SC*.G310 helixtrans-72.7-29.2178.3-74.5170.1000113.4R135 P155R135-L137 PolarHBondContact O-N 2.78Å; R135-L137 VanDerWaalsContact O-N 3.15Å; L137-P155 HydrophobicContact CD2-CG 4.08Å
138E96.1Very high95.6Very high99 Ų9946.6 Ų46.646%0.46323%0.227SC..THydrogen-bonded Turntrans-92.8-13.1178.657.7170.6-131.800113.2R135R135-E138 HydrophobicContact CB-CG 3.97Å; R135-E138 IonicContact CZ-OE1 3.56Å; R135-E138 IonicContact NE-OE1 2.84Å; R135-E138 PolarHBondContact NE-OE1 3.43Å; R135-E138 IonicContact NH2-OE1 3.36Å; R135-E138 PolarHBondContact NH2-OE1 2.8Å; R135-E138 WeakPolarHBondContact O-CG 3.5Å; R135-E138 PolarHBondContact O-N 2.92Å
139A97.5Very high95.7Very high3 Ų345.2 Ų45.23%0.02522%0.219CC..  trans-68.4134.8179.400000111.6I104 L106 R135 I142 Q158I104-A139 HydrophobicContact CG2-CB 4.06Å; L106-A139 HydrophobicContact CB-CB 3.73Å; L106-A139 HydrophobicContact CD2-CB 4.33Å; R135-A139 PolarHBondContact O-N 3.29Å; A139-I142 HydrophobicContact CB-CD1 3.72Å; A139-Q158 WeakPolarHBondContact O-CG 3.45Å; A139-Q158 PolarHBondContact O-NE2 3.49Å
140D96.6Very high95.8Very high44 Ų4444 Ų4424%0.23521%0.213CC..SBendtrans-75.3-31.7171.2-61.7-96.3000111.7K103 I104 Q158 L159K103-D140 WeakPolarHBondContact CA-OD2 3.48Å; K103-D140 HydrophobicContact CB-CB 4.43Å; K103-D140 HydrophobicContact CD-CB 3.79Å; K103-D140 WeakPolarHBondContact CD-OD1 3.47Å; K103-D140 IonicContact NZ-OD1 2.74Å; K103-D140 PolarHBondContact NZ-OD1 2.74Å; I104-D140 PolarHBondContact N-OD2 2.94Å; I104-D140 PolarHBondContact O-N 2.88Å; D140-Q158 CarbonylContact O-C 3.48Å; D140-Q158 VanDerWaalsContact O-CA 3.31Å; D140-Q158 WeakPolarHBondContact O-CA 3.18Å; D140-L159 PolarHBondContact O-N 3.07Å
141V97.2Very high95.7Very high0 Ų050.8 Ų50.80%024%0.242CC..EExtended strand (participates in β ladder)trans-129.8130.6179.8-179.80000110.1I104 I105 L106 I143 L159 F161 I379 A383I104-V141 PolarHBondContact O-N 2.76Å; I105-V141 CarbonylContact C-O 3.51Å; I105-V141 HydrophobicContact CB-CB 4.35Å; I105-V141 HydrophobicContact CG1-CB 4.04Å; I105-V141 HydrophobicContact CG1-CG2 4.27Å; I105-V141 HydrophobicContact CG2-CB 4.22Å; I105-V141 HydrophobicContact CG2-CG1 4.2Å; L106-V141 PolarHBondContact N-O 2.82Å; V141-I143 HydrophobicContact CG1-CG1 4.07Å; V141-L159 CarbonylContact C-O 3.57Å; V141-L159 WeakPolarHBondContact CA-O 2.9Å; V141-L159 HydrophobicContact CG2-CB 4.29Å; V141-L159 HydrophobicContact CG2-CD1 4.32Å; V141-F161 HydrophobicContact CG1-CD2 3.39Å; V141-F161 HydrophobicContact CG1-CE2 3.53Å; V141-F161 HydrophobicContact CG1-CG 4.34Å; V141-F161 HydrophobicContact CG2-CE2 4.36Å; V141-I379 HydrophobicContact CG1-CG2 4.11Å; V141-A383 HydrophobicContact CG2-CB 3.55Å
142I97.6Very high95.5Very high0 Ų049.1 Ų49.10%025%0.247CC..EExtended strand (participates in β ladder)trans-105.6125.4168.8-53.9-60000108L106 Y108 W136 A139 L144 P150 Q158 L159 W160 F161L106-I142 HydrophobicContact CB-CD1 4.08Å; L106-I142 HydrophobicContact CD2-CD1 3.83Å; L106-I142 HydrophobicContact CG-CD1 4.38Å; Y108-I142 HydrophobicContact CD2-CG2 4.36Å; Y108-I142 HydrophobicContact CG-CG2 4.05Å; W136-I142 HydrophobicContact CB-CD1 3.92Å; A139-I142 HydrophobicContact CB-CD1 3.72Å; I142-L144 HydrophobicContact CG2-CD2 3.57Å; I142-L144 HydrophobicContact CG2-CG 4.4Å; I142-P150 HydrophobicContact CG2-CG 4.46Å; I142-Q158 HydrophobicContact CG1-CG 3.99Å; I142-L159 PolarHBondContact N-O 2.81Å; I142-W160 HydrophobicContact CB-CG 4.19Å; I142-W160 CarbonylContact O-C 3.55Å; I142-W160 WeakPolarHBondContact O-CA 3.22Å; I142-F161 PolarHBondContact O-N 3.01Å
143I97.1Very high95.4Very high0 Ų050.9 Ų50.90%026%0.263CS..EExtended strand (participates in β ladder)trans-107.5102.6171.9-50.5178.2000108.6I105 L106 Y108 I113 I116 V141 T145 F161 F163 I379I105-I143 HydrophobicContact CG2-CD1 3.46Å; I105-I143 VanDerWaalsContact CG2-CD1 3.46Å; I105-I143 HydrophobicContact CG2-CG1 3.9Å; L106-I143 PolarHBondContact O-N 2.79Å; Y108-I143 PolarHBondContact N-O 3.38Å; I113-I143 HydrophobicContact CD1-CB 4.1Å; I113-I143 HydrophobicContact CD1-CD1 4.2Å; I113-I143 HydrophobicContact CD1-CG2 3.44Å; I113-I143 VanDerWaalsContact CD1-CG2 3.44Å; I116-I143 HydrophobicContact CD1-CD1 3.74Å; V141-I143 HydrophobicContact CG1-CG1 4.07Å; I143-T145 HydrophobicContact CG2-CG2 4.48Å; I143-T145 PolarHBondContact O-N 3.26Å; I143-F161 HydrophobicContact CG1-CB 4.3Å; I143-F161 HydrophobicContact CG2-CB 4.3Å; I143-F163 HydrophobicContact CG2-CB 3.38Å; I143-F163 HydrophobicContact CG2-CG 4.38Å; I143-I379 HydrophobicContact CD1-CD1 3.9Å; I143-I379 HydrophobicContact CD1-CG2 4.45Å
144L96.5Very high95.2Very high0 Ų050.3 Ų50.30%026%0.26CS..EExtended strand (participates in β ladder)trans-73.3122.7173.7-52.4-173.7000109.6Y108 I142 W160 F161 V162 F163 L177 I181Y108-L144 HydrophobicContact CD1-CD2 3.99Å; Y108-L144 HydrophobicContact CG-CD2 4.26Å; Y108-L144 WeakPolarHBondContact O-CA 3.44Å; I142-L144 HydrophobicContact CG2-CD2 3.57Å; I142-L144 HydrophobicContact CG2-CG 4.4Å; L144-W160 HydrophobicContact CD1-CE3 4.06Å; L144-W160 HydrophobicContact CD1-CZ3 4.39Å; L144-F161 PolarHBondContact N-O 3.28Å; L144-V162 HydrophobicContact CB-CG2 4.33Å; L144-V162 HydrophobicContact CD1-CG2 4.47Å; L144-V162 WeakPolarHBondContact O-CA 3.37Å; L144-F163 PolarHBondContact O-N 3.36Å; L144-L177 HydrophobicContact CD1-CD1 3.72Å; L144-L177 HydrophobicContact CD1-CD2 4.24Å; L144-I181 HydrophobicContact CD1-CD1 3.62Å; L144-I181 HydrophobicContact CG-CD1 4.42Å
145T94.4Very high95.1Very high0 Ų047.7 Ų47.70%024%0.242CC..  trans-104.9-10.5-179.359.30000114.1Y108 G109 L111 I113 I143 F163Y108-T145 PolarHBondContact O-N 3.21Å; G109-T145 VanDerWaalsContact CA-OG1 3.3Å; G109-T145 WeakPolarHBondContact CA-OG1 3.29Å; L111-T145 VanDerWaalsContact CD1-O 3.28Å; L111-T145 WeakPolarHBondContact CD1-O 3.2Å; L111-T145 PolarHBondContact O-OG1 2.91Å; I113-T145 HydrophobicContact CD1-CG2 3.54Å; I113-T145 HydrophobicContact CG1-CG2 3.6Å; I143-T145 HydrophobicContact CG2-CG2 4.48Å; I143-T145 PolarHBondContact O-N 3.26Å; T145-F163 WeakPolarHBondContact CA-O 2.9Å
146D91.7Very high94.9Very high10 Ų1049.1 Ų49.15%0.05326%0.262CS..SBendtrans-154.9-151.1-179.759.828.3000111.3D110 L148 I171 R172D110-D146 PolarHBondContact N-OD2 2.98Å; D146-L148 PolarHBondContact O-N 3.48Å; D146-L148 WeakPolarHBondContact OD1-CB 3.29Å; D146-L148 WeakPolarHBondContact OD1-CG 3.45Å; D146-L148 PolarHBondContact OD1-N 3.41Å; D146-I171 HydrophobicContact CB-CG2 3.92Å; D146-R172 CarbonylContact C-O 3.59Å
147H92.3Very high94.6Very high104 Ų10454.4 Ų54.448%0.48129%0.292SS..SBendtrans-73.3-9.8178.869.9-65.5000114.4R172 A174H147-R172 PolarHBondContact N-O 3.18Å; H147-A174 HydrophobicContact CB-CB 4.36Å; H147-A174 WeakPolarHBondContact O-CB 3.31Å
148L94.2Very high94.5Very high46 Ų4649.5 Ų49.524%0.24127%0.267CS..  trans-82139.4-179-58.8176.5000110.1Y108 D110 D146Y108-L148 HydrophobicContact CD1-CB 4.43Å; Y108-L148 HydrophobicContact CE1-CB 4.22Å; D110-L148 WeakPolarHBondContact OD1-CD1 3.28Å; D146-L148 PolarHBondContact O-N 3.48Å; D146-L148 WeakPolarHBondContact OD1-CB 3.29Å; D146-L148 WeakPolarHBondContact OD1-CG 3.45Å; D146-L148 PolarHBondContact OD1-N 3.41Å
149Y95.1Very high94.5Very high43 Ų4345.4 Ų45.417%0.16925%0.248CC..  trans-154.3152.6174.465.2-84.6000110.4Y108 K151 W160 A174 L177Y108-Y149 VanDerWaalsContact CE1-CA 3.42Å; Y149-K151 HydrophobicContact CD2-CD 4.35Å; Y149-K151 HydrophobicContact CE2-CD 3.92Å; Y149-K151 PolarHBondContact O-N 2.98Å; Y149-K151 PolarHBondContact OH-NZ 3.47Å; Y149-W160 HydrophobicContact CD2-CH2 4.3Å; Y149-W160 HydrophobicContact CD2-CZ3 4.2Å; Y149-A174 HydrophobicContact CD1-CB 3.73Å; Y149-A174 HydrophobicContact CE1-CB 3.54Å; Y149-L177 HydrophobicContact CD1-CD2 4.16Å; Y149-L177 HydrophobicContact CD1-CG 4.46Å; Y149-L177 HydrophobicContact CD2-CD2 3.84Å; Y149-L177 HydrophobicContact CE2-CD2 4.26Å; Y149-L177 HydrophobicContact CG-CD2 3.77Å
150P95.5Very high94.5Very high2 Ų245.6 Ų45.61%0.01325%0.248CC..  trans-55134177.7-25.532.2000113.5Y108 W136 I142 W160Y108-P150 HydrophobicContact CD2-CG 4Å; Y108-P150 HydrophobicContact CE1-CG 4.19Å; Y108-P150 HydrophobicContact CE2-CB 4.46Å; Y108-P150 HydrophobicContact CE2-CG 3.63Å; Y108-P150 HydrophobicContact CG-CG 4.42Å; Y108-P150 WeakPolarHBondContact OH-CA 3.33Å; W136-P150 HydrophobicContact CB-CG 4.21Å; W136-P150 HydrophobicContact CD2-CB 3.47Å; W136-P150 VanDerWaalsContact CD2-CB 3.47Å; W136-P150 HydrophobicContact CD2-CG 3.79Å; W136-P150 HydrophobicContact CE3-CB 3.45Å; W136-P150 VanDerWaalsContact CE3-CB 3.45Å; W136-P150 HydrophobicContact CE3-CG 3.68Å; W136-P150 HydrophobicContact CG-CB 4.07Å; W136-P150 HydrophobicContact CG-CG 4.03Å; W136-P150 HydrophobicContact CH2-CB 3.95Å; W136-P150 HydrophobicContact CZ2-CB 3.98Å; W136-P150 HydrophobicContact CZ3-CB 3.69Å; W136-P150 HydrophobicContact CZ3-CG 4.31Å; I142-P150 HydrophobicContact CG2-CG 4.46Å; P150-W160 HydrophobicContact CB-CH2 4.08Å; P150-W160 HydrophobicContact CB-CZ2 3.97Å; P150-W160 HydrophobicContact CG-CH2 4.03Å; P150-W160 HydrophobicContact CG-CZ2 3.78Å
151K92.4Very high94.5Very high152 Ų15243.5 Ų43.566%0.66124%0.237SC*.  trans-97.892.1173.1-52-55.5-173.7-1720108.6Y149Y149-K151 HydrophobicContact CD2-CD 4.35Å; Y149-K151 HydrophobicContact CE2-CD 3.92Å; Y149-K151 PolarHBondContact O-N 2.98Å; Y149-K151 PolarHBondContact OH-NZ 3.47Å
152G91.5Very high94.5Very high44 Ų4443.5 Ų43.545%0.45424%0.237SC..SBendtrans172.9174.4179.400000112.9R154G152-R154 PolarHBondContact O-N 3.38Å
153P92.3Very high94.4Very high117 Ų11744.4 Ų44.476%0.7624%0.241SC*.PPolyproline II helixtrans-63.9128.1171.228.3-32.9000109W136 P155W136-P153 WeakPolarHBondContact CH2-O 3.45Å; P153-P155 WeakPolarHBondContact O-CD 3.1Å
154R93Very high94.2Very high81 Ų8144.5 Ų44.531%0.30624%0.241SC..PPolyproline II helixtrans-71126176.5174.7172.4164.2-179.8-14109.6G152 Q158 K180 N182G152-R154 PolarHBondContact O-N 3.38Å; R154-Q158 HydrophobicContact CG-CB 4.46Å; R154-Q158 PolarHBondContact NE-O 3.22Å; R154-Q158 PolarHBondContact NH2-O 3.15Å; R154-K180 PolarHBondContact NH1-O 3.38Å; R154-N182 PolarHBondContact NH1-OD1 3.4Å; R154-N182 PolarHBondContact NH2-ND2 3.47Å; R154-N182 PolarHBondContact NH2-OD1 2.8Å
155P94.9Very high93.8Very high32 Ų3246.6 Ų46.621%0.20825%0.251CS..PPolyproline II helixtrans-54.5147.2173.9-26.734.1000112.5L137 P153 Q158L137-P155 HydrophobicContact CD2-CG 4.08Å; P153-P155 WeakPolarHBondContact O-CD 3.1Å; P155-Q158 HydrophobicContact CB-CB 4.18Å; P155-Q158 PolarHBondContact O-N 3.37Å
156P91.5Very high93.7Very high116 Ų11648.7 Ų48.775%0.75326%0.264SS*.THydrogen-bonded Turntrans-54.8141.5173.4-23.633.5000111.4Q158P156-Q158 PolarHBondContact O-N 3.24Å
157N90.9Very high93.7Very high142 Ų14248.5 Ų48.576%0.75926%0.263SS*.THydrogen-bonded Turntrans62-9.8177.8-53.2-39.5000117.3L159N157-L159 PolarHBondContact O-N 3.15Å
158Q95.7Very high93.6Very high4 Ų443.7 Ų43.72%0.01924%0.241CC..  trans-57.5132.2169.8175.9177.192.100108.7W136 A139 D140 I142 R154 P155 P156W136-Q158 PolarHBondContact O-NE2 3.08Å; A139-Q158 WeakPolarHBondContact O-CG 3.45Å; A139-Q158 PolarHBondContact O-NE2 3.49Å; D140-Q158 CarbonylContact O-C 3.48Å; D140-Q158 VanDerWaalsContact O-CA 3.31Å; D140-Q158 WeakPolarHBondContact O-CA 3.18Å; I142-Q158 HydrophobicContact CG1-CG 3.99Å; R154-Q158 HydrophobicContact CG-CB 4.46Å; R154-Q158 PolarHBondContact NE-O 3.22Å; R154-Q158 PolarHBondContact NH2-O 3.15Å; P155-Q158 HydrophobicContact CB-CB 4.18Å; P155-Q158 PolarHBondContact O-N 3.37Å; P156-Q158 PolarHBondContact O-N 3.24Å
159L96.5Very high93.3Very high14 Ų1446.1 Ų46.17%0.07325%0.254CS..EExtended strand (participates in β ladder)trans-99.6141.3179.8-59.9171.2000111D140 V141 I142 N157 F161 N182 Y183 A386D140-L159 PolarHBondContact O-N 3.07Å; V141-L159 CarbonylContact C-O 3.57Å; V141-L159 WeakPolarHBondContact CA-O 2.9Å; V141-L159 HydrophobicContact CG2-CB 4.29Å; V141-L159 HydrophobicContact CG2-CD1 4.32Å; I142-L159 PolarHBondContact N-O 2.81Å; N157-L159 PolarHBondContact O-N 3.15Å; L159-F161 HydrophobicContact CB-CD2 4.31Å; L159-F161 HydrophobicContact CB-CE2 3.87Å; L159-F161 HydrophobicContact CD1-CE2 4.22Å; L159-N182 HydrophobicContact CD2-CB 4.49Å; L159-Y183 HydrophobicContact CD1-CE2 4.23Å; L159-Y183 HydrophobicContact CD2-CE2 4.25Å; L159-A386 HydrophobicContact CD1-CB 3.67Å; L159-A386 HydrophobicContact CD2-CB 3.84Å; L159-A386 HydrophobicContact CG-CB 4.33Å
160W97.4Very high93Very high6 Ų651 Ų512%0.02328%0.276CS..EExtended strand (participates in β ladder)trans-114.3124175.4-7426.1000109.7I142 L144 Y149 P150 L177 K180 I181 N182 Y183I142-W160 HydrophobicContact CB-CG 4.19Å; I142-W160 CarbonylContact O-C 3.55Å; I142-W160 WeakPolarHBondContact O-CA 3.22Å; L144-W160 HydrophobicContact CD1-CE3 4.06Å; L144-W160 HydrophobicContact CD1-CZ3 4.39Å; Y149-W160 HydrophobicContact CD2-CH2 4.3Å; Y149-W160 HydrophobicContact CD2-CZ3 4.2Å; P150-W160 HydrophobicContact CB-CH2 4.08Å; P150-W160 HydrophobicContact CB-CZ2 3.97Å; P150-W160 HydrophobicContact CG-CH2 4.03Å; P150-W160 HydrophobicContact CG-CZ2 3.78Å; W160-L177 HydrophobicContact CE3-CD2 4.28Å; W160-L177 HydrophobicContact CZ3-CD2 3.79Å; W160-K180 HydrophobicContact CE3-CB 4.35Å; W160-I181 HydrophobicContact CB-CD1 3.86Å; W160-I181 HydrophobicContact CE3-CD1 4.04Å; W160-N182 PolarHBondContact N-OD1 3.47Å; W160-N182 PolarHBondContact O-N 2.69Å; W160-Y183 PolarHBondContact O-N 2.89Å
161F97.1Very high92.8Very high0 Ų051.9 Ų51.90%028%0.28CS..EExtended strand (participates in β ladder)trans-108.5148.3174.7-71.7-114.8000109.3V141 I142 I143 L144 L159 Y183 I185 I193 I379 L382V141-F161 HydrophobicContact CG1-CD2 3.39Å; V141-F161 HydrophobicContact CG1-CE2 3.53Å; V141-F161 HydrophobicContact CG1-CG 4.34Å; V141-F161 HydrophobicContact CG2-CE2 4.36Å; I142-F161 PolarHBondContact O-N 3.01Å; I143-F161 HydrophobicContact CG1-CB 4.3Å; I143-F161 HydrophobicContact CG2-CB 4.3Å; L144-F161 PolarHBondContact N-O 3.28Å; L159-F161 HydrophobicContact CB-CD2 4.31Å; L159-F161 HydrophobicContact CB-CE2 3.87Å; L159-F161 HydrophobicContact CD1-CE2 4.22Å; F161-Y183 CarbonylContact C-O 3.47Å; F161-Y183 WeakPolarHBondContact CA-O 3.31Å; F161-Y183 HydrophobicContact CD1-CD2 4.29Å; F161-Y183 HydrophobicContact CD1-CG 4.4Å; F161-Y183 HydrophobicContact CD2-CD2 4.24Å; F161-Y183 AromaticContact CE1-CD2 3.65Å; F161-Y183 HydrophobicContact CE1-CD2 3.65Å; F161-Y183 AromaticContact CE1-CG 3.97Å; F161-Y183 HydrophobicContact CE1-CG 3.97Å; F161-Y183 AromaticContact CE2-CD2 3.61Å; F161-Y183 HydrophobicContact CE2-CD2 3.61Å; F161-Y183 HydrophobicContact CE2-CE2 4.34Å; F161-Y183 AromaticContact CZ-CD2 3.29Å; F161-Y183 HydrophobicContact CZ-CD2 3.29Å; F161-Y183 HydrophobicContact CZ-CE2 4.05Å; F161-Y183 HydrophobicContact CZ-CG 4.09Å; F161-I185 HydrophobicContact CD1-CD1 3.7Å; F161-I185 HydrophobicContact CD1-CG1 4Å; F161-I185 HydrophobicContact CE1-CD1 4.28Å; F161-I193 HydrophobicContact CE1-CD1 4.04Å; F161-I379 HydrophobicContact CD1-CG1 4.21Å; F161-I379 HydrophobicContact CE1-CG1 3.9Å; F161-I379 HydrophobicContact CZ-CG1 4.42Å; F161-I379 HydrophobicContact CZ-CG2 4.29Å; F161-L382 HydrophobicContact CE1-CD1 3.96Å; F161-L382 HydrophobicContact CZ-CB 4.1Å; F161-L382 HydrophobicContact CZ-CD1 3.87Å
162V96.3Very high92.8Very high0 Ų051.8 Ų51.80%028%0.276CS..EExtended strand (participates in β ladder)trans-105.5126.4161.4161.70000107.9L144 V164 I173 I181 Y183 T184 I185 V397L144-V162 HydrophobicContact CB-CG2 4.33Å; L144-V162 HydrophobicContact CD1-CG2 4.47Å; L144-V162 WeakPolarHBondContact O-CA 3.37Å; V162-V164 HydrophobicContact CG1-CG1 4.42Å; V162-V164 HydrophobicContact CG1-CG2 3.77Å; V162-I173 HydrophobicContact CB-CD1 4.46Å; V162-I173 HydrophobicContact CG1-CD1 3.5Å; V162-I173 VanDerWaalsContact CG1-CD1 3.5Å; V162-I173 HydrophobicContact CG1-CG1 3.99Å; V162-I173 HydrophobicContact CG2-CD1 4.12Å; V162-I173 HydrophobicContact CG2-CG2 4.45Å; V162-I181 HydrophobicContact CB-CG2 4.32Å; V162-I181 HydrophobicContact CG2-CB 4.49Å; V162-I181 HydrophobicContact CG2-CD1 3.78Å; V162-I181 HydrophobicContact CG2-CG1 3.76Å; V162-I181 HydrophobicContact CG2-CG2 3.96Å; V162-Y183 PolarHBondContact N-O 3.32Å; V162-T184 HydrophobicContact CB-CG2 4.38Å; V162-T184 CarbonylContact O-C 3.59Å; V162-I185 PolarHBondContact O-N 3.46Å; V162-V397 HydrophobicContact CG2-CG2 4.15Å
163F95.3Very high92.9Very high20 Ų2049.8 Ų49.89%0.08826%0.255CS..EExtended strand (participates in β ladder)trans-119.3110.2173-176.3-74.7000109.2I113 I115 I116 I143 L144 T145 H165 I185 L195 P375I113-F163 HydrophobicContact CD1-CB 3.92Å; I113-F163 HydrophobicContact CD1-CD1 4.02Å; I113-F163 HydrophobicContact CD1-CD2 4.23Å; I113-F163 HydrophobicContact CD1-CG 3.79Å; I113-F163 HydrophobicContact CG1-CD1 3.8Å; I113-F163 HydrophobicContact CG1-CE1 4.15Å; I113-F163 HydrophobicContact CG1-CG 4.1Å; I113-F163 HydrophobicContact CG2-CD1 4.34Å; I113-F163 HydrophobicContact CG2-CD2 4.34Å; I113-F163 HydrophobicContact CG2-CE1 3.98Å; I113-F163 HydrophobicContact CG2-CE2 3.96Å; I113-F163 HydrophobicContact CG2-CZ 3.78Å; I115-F163 HydrophobicContact CD1-CE2 3.82Å; I115-F163 HydrophobicContact CD1-CZ 3.59Å; I115-F163 HydrophobicContact CG1-CE2 4.37Å; I115-F163 HydrophobicContact CG1-CZ 4.13Å; I116-F163 HydrophobicContact CD1-CD2 4.48Å; I143-F163 HydrophobicContact CG2-CB 3.38Å; I143-F163 HydrophobicContact CG2-CG 4.38Å; L144-F163 PolarHBondContact O-N 3.36Å; T145-F163 WeakPolarHBondContact CA-O 2.9Å; F163-H165 HydrophobicContact CE1-CB 4.29Å; F163-I185 WeakPolarHBondContact CA-O 3.43Å; F163-I185 HydrophobicContact CB-CB 4.5Å; F163-I185 HydrophobicContact CD2-CB 3.79Å; F163-I185 HydrophobicContact CD2-CD1 4.18Å; F163-I185 HydrophobicContact CD2-CG2 3.66Å; F163-I185 HydrophobicContact CE2-CB 4.46Å; F163-I185 HydrophobicContact CE2-CG2 3.82Å; F163-I185 HydrophobicContact CG-CB 4.48Å; F163-L195 HydrophobicContact CD2-CD2 4.48Å; F163-L195 HydrophobicContact CE2-CD2 3.44Å; F163-L195 VanDerWaalsContact CE2-CD2 3.44Å; F163-L195 HydrophobicContact CZ-CD2 3.52Å; F163-P375 HydrophobicContact CE2-CG 4.29Å
164V92.8Very high92.9Very high1 Ų145.1 Ų45.11%0.00623%0.226CC..EExtended strand (participates in β ladder)trans-143.8122.7178.4-770000109.9V162 I171 I173 I185 T186 W401V162-V164 HydrophobicContact CG1-CG1 4.42Å; V162-V164 HydrophobicContact CG1-CG2 3.77Å; V164-I171 HydrophobicContact CG1-CG2 3.94Å; V164-I173 HydrophobicContact CG1-CD1 3.84Å; V164-I185 PolarHBondContact N-O 2.65Å; V164-I185 VanDerWaalsContact N-O 3.12Å; V164-T186 HydrophobicContact CG2-CG2 3.5Å; V164-T186 VanDerWaalsContact CG2-CG2 3.5Å; V164-T186 WeakPolarHBondContact O-CA 3.42Å; V164-T186 VanDerWaalsContact O-CB 3.26Å; V164-T186 WeakPolarHBondContact O-CB 3.36Å; V164-W401 HydrophobicContact CB-CH2 3.86Å; V164-W401 HydrophobicContact CB-CZ2 3.52Å; V164-W401 HydrophobicContact CG1-CZ2 4.38Å; V164-W401 HydrophobicContact CG2-CD2 3.71Å; V164-W401 VanDerWaalsContact CG2-CE2 3.43Å; V164-W401 HydrophobicContact CG2-CE3 3.81Å; V164-W401 HydrophobicContact CG2-CH2 3.39Å; V164-W401 HydrophobicContact CG2-CZ2 3.26Å; V164-W401 HydrophobicContact CG2-CZ3 3.67Å
165H89.8Confident92.8Very high45 Ų4546.3 Ų46.321%0.20824%0.238CC..  trans-122.122.8-175.6-156.8-115.6000112F163 L195 Y197F163-H165 HydrophobicContact CE1-CB 4.29Å; H165-L195 PolarHBondContact CD2-O 3.13Å; H165-L195 PolarHBondContact NE2-O 3.03Å; H165-Y197 AromaticContact CE1-CD1 3.61Å; H165-Y197 AromaticContact CE1-CD2 3.42Å; H165-Y197 VanDerWaalsContact CE1-CD2 3.42Å; H165-Y197 WeakPolarHBondContact CE1-CD2 3.39Å; H165-Y197 AromaticContact CE1-CE1 3.65Å; H165-Y197 AromaticContact CE1-CE2 3.45Å; H165-Y197 VanDerWaalsContact CE1-CE2 3.45Å; H165-Y197 WeakPolarHBondContact CE1-CE2 3.23Å; H165-Y197 AromaticContact CE1-CG 3.52Å; H165-Y197 AromaticContact CE1-CZ 3.59Å; H165-Y197 AromaticContact ND1-CE1 3.81Å; H165-Y197 AromaticContact ND1-CE2 3.79Å; H165-Y197 AromaticContact ND1-CZ 3.6Å; H165-Y197 AromaticContact NE2-CD2 3.64Å; H165-Y197 AromaticContact NE2-CE2 3.79Å; H165-Y197 PolarHBondContact O-OH 3.38Å
166V90.5Very high92.3Very high43 Ų4346 Ų4626%0.26124%0.241SC..SBendtrans-133.2161.6173-60.50000109K170 I171 W401V166-K170 HydrophobicContact CB-CB 4.44Å; V166-K170 HydrophobicContact CB-CG 4.42Å; V166-K170 HydrophobicContact CG2-CB 4.05Å; V166-K170 HydrophobicContact CG2-CG 3.98Å; V166-I171 HydrophobicContact CG2-CB 3.79Å; V166-I171 HydrophobicContact CG2-CD1 3.32Å; V166-I171 HydrophobicContact CG2-CG1 3.39Å; V166-W401 VanDerWaalsContact O-CH2 3.25Å; V166-W401 WeakPolarHBondContact O-CH2 3.21Å; V166-W401 WeakPolarHBondContact O-CZ2 3.46Å
167P91.9Very high92.3Very high6 Ų640.5 Ų40.54%0.03921%0.205CC..  trans-62.1154.6-176.4-26.136.9000114L169 K170 I171 Y295P167-L169 PolarHBondContact O-N 2.78Å; P167-L169 VanDerWaalsContact O-N 3.1Å; P167-K170 WeakPolarHBondContact O-CA 3.27Å; P167-K170 WeakPolarHBondContact O-CB 3.36Å; P167-K170 PolarHBondContact O-N 2.7Å; P167-I171 PolarHBondContact O-N 2.71Å; P167-I171 VanDerWaalsContact O-N 3.12Å; P167-Y295 VanDerWaalsContact CD-CZ 3.42Å; P167-Y295 WeakPolarHBondContact CD-OH 3.46Å; P167-Y295 HydrophobicContact CG-CD1 3.68Å; P167-Y295 HydrophobicContact CG-CD2 3.87Å; P167-Y295 HydrophobicContact CG-CE1 3.35Å; P167-Y295 HydrophobicContact CG-CE2 3.57Å; P167-Y295 HydrophobicContact CG-CG 3.92Å
168P91.5Very high92Very high4 Ų437.6 Ų37.63%0.02619%0.187CC..THydrogen-bonded Turntrans-63.2-20.6179.825.5-35.7000113.9K170 I171 R172 W401 C405P168-K170 PolarHBondContact O-N 2.81Å; P168-I171 VanDerWaalsContact CA-O 3.31Å; P168-I171 WeakPolarHBondContact CA-O 3.25Å; P168-I171 CarbonylContact O-C 3.46Å; P168-R172 VanDerWaalsContact O-CG 3.25Å; P168-R172 WeakPolarHBondContact O-CG 3.41Å; P168-W401 HydrophobicContact CB-CD2 4.49Å; P168-W401 HydrophobicContact CB-CG 4.44Å; P168-W401 VanDerWaalsContact CB-O 3.3Å; P168-W401 WeakPolarHBondContact CB-O 3.49Å; P168-W401 WeakPolarHBondContact CG-O 3.44Å; P168-C405 VanDerWaalsContact CD-SG 3.5Å; P168-C405 WeakPolarHBondContact CG-SG 3.35Å
169L88.2Confident91.4Very high97 Ų9742.7 Ų42.751%0.50822%0.215SC..THydrogen-bonded Turntrans-70.5-15.9171.7-64.3176.2000113.8P167 K238 C405P167-L169 PolarHBondContact O-N 2.78Å; P167-L169 VanDerWaalsContact O-N 3.1Å; L169-K238 HydrophobicContact CB-CG 4.23Å; L169-K238 HydrophobicContact CD1-CB 3.54Å; L169-K238 HydrophobicContact CD1-CG 3.84Å; L169-C405 HydrophobicContact CD1-CB 4.3Å; L169-C405 HydrophobicContact CG-CB 4.42Å
170K89Confident91.2Very high146 Ų14646.2 Ų46.264%0.63523%0.229SC*.THydrogen-bonded Turntrans-99-42.5172.9-17864-178.71790110.5V166 P167 P168V166-K170 HydrophobicContact CB-CB 4.44Å; V166-K170 HydrophobicContact CB-CG 4.42Å; V166-K170 HydrophobicContact CG2-CB 4.05Å; V166-K170 HydrophobicContact CG2-CG 3.98Å; P167-K170 WeakPolarHBondContact O-CA 3.27Å; P167-K170 WeakPolarHBondContact O-CB 3.36Å; P167-K170 PolarHBondContact O-N 2.7Å; P168-K170 PolarHBondContact O-N 2.81Å
171I91.1Very high91.1Very high20 Ų2046 Ų4610%0.10323%0.228CC..SBendtrans-136.2113.5-177.1-59.2-172.7000110L111 D146 V164 V166 P167 P168 W401L111-I171 HydrophobicContact CD1-CD1 3.05Å; L111-I171 HydrophobicContact CD1-CG1 4.46Å; L111-I171 HydrophobicContact CD2-CD1 3.96Å; L111-I171 HydrophobicContact CG-CD1 3.93Å; D146-I171 HydrophobicContact CB-CG2 3.92Å; V164-I171 HydrophobicContact CG1-CG2 3.94Å; V166-I171 HydrophobicContact CG2-CB 3.79Å; V166-I171 HydrophobicContact CG2-CD1 3.32Å; V166-I171 HydrophobicContact CG2-CG1 3.39Å; P167-I171 PolarHBondContact O-N 2.71Å; P167-I171 VanDerWaalsContact O-N 3.12Å; P168-I171 VanDerWaalsContact CA-O 3.31Å; P168-I171 WeakPolarHBondContact CA-O 3.25Å; P168-I171 CarbonylContact O-C 3.46Å; I171-W401 PolarHBondContact O-NE1 3.41Å
172R92.5Very high91Very high150 Ų15046.6 Ų46.657%0.56623%0.232SC*.PPolyproline II helixtrans-93.1146.2176.4-65.8-177.966.2131.4-0.5110.1D146 H147 P168 N402D146-R172 CarbonylContact C-O 3.59Å; H147-R172 PolarHBondContact N-O 3.18Å; P168-R172 VanDerWaalsContact O-CG 3.25Å; P168-R172 WeakPolarHBondContact O-CG 3.41Å; R172-N402 WeakPolarHBondContact CA-OD1 3.01Å; R172-N402 WeakPolarHBondContact CB-OD1 3.41Å
173I93.2Very high90.9Very high1 Ų146.9 Ų46.91%0.00523%0.233CC..PPolyproline II helixtrans-87.1135.2166.8-63.7-58.7000107.3V162 V164 L177 V397 W401 N402V162-I173 HydrophobicContact CB-CD1 4.46Å; V162-I173 HydrophobicContact CG1-CD1 3.5Å; V162-I173 VanDerWaalsContact CG1-CD1 3.5Å; V162-I173 HydrophobicContact CG1-CG1 3.99Å; V162-I173 HydrophobicContact CG2-CD1 4.12Å; V162-I173 HydrophobicContact CG2-CG2 4.45Å; V164-I173 HydrophobicContact CG1-CD1 3.84Å; I173-L177 HydrophobicContact CG2-CD1 3.59Å; I173-V397 HydrophobicContact CG2-CG1 4.4Å; I173-W401 HydrophobicContact CG1-CB 4.16Å; I173-W401 VanDerWaalsContact CG1-CD1 3.45Å; I173-W401 HydrophobicContact CG1-CG 3.83Å; I173-N402 PolarHBondContact N-OD1 3.14Å; I173-N402 PolarHBondContact O-ND2 2.96Å; I173-N402 PolarHBondContact O-OD1 3.18Å
174A92.6Very high91Very high19 Ų1945.9 Ų45.916%0.15723%0.229CC..PPolyproline II helixtrans-63.1142.6-177.900000111.9H147 Y149 L177 S398H147-A174 HydrophobicContact CB-CB 4.36Å; H147-A174 WeakPolarHBondContact O-CB 3.31Å; Y149-A174 HydrophobicContact CD1-CB 3.73Å; Y149-A174 HydrophobicContact CE1-CB 3.54Å; A174-L177 HydrophobicContact CB-CD1 4.43Å; A174-S398 WeakPolarHBondContact O-CB 3.42Å; A174-S398 PolarHBondContact O-OG 3.17Å
175D90.9Very high91Very high106 Ų10645.9 Ų45.957%0.56723%0.228SC*.THydrogen-bonded Turntrans-64.5158.8167.9-53.2-41.2000109.8L177D175-L177 VanDerWaalsContact C-N 3.34Å
176G84.7Confident91.2Very high26 Ų2643.7 Ų43.727%0.26822%0.218SC..THydrogen-bonded Turntrans84.78.5-177.500000114.2E178 K180G176-E178 WeakPolarHBondContact CA-OE2 3.29Å; G176-E178 PolarHBondContact N-OE1 3.04Å; G176-E178 VanDerWaalsContact N-OE1 3.12Å; G176-E178 PolarHBondContact N-OE2 3.36Å; G176-K180 WeakPolarHBondContact O-CE 3.46Å; G176-K180 PolarHBondContact O-NZ 2.87Å
177L90.7Very high91.3Very high1 Ų141.9 Ų41.91%0.00521%0.207CC..  trans-96.610171.9-66.3178.5000112.4L144 Y149 W160 I173 A174 D175 N179 K180 I181 V397L144-L177 HydrophobicContact CD1-CD1 3.72Å; L144-L177 HydrophobicContact CD1-CD2 4.24Å; Y149-L177 HydrophobicContact CD1-CD2 4.16Å; Y149-L177 HydrophobicContact CD1-CG 4.46Å; Y149-L177 HydrophobicContact CD2-CD2 3.84Å; Y149-L177 HydrophobicContact CE2-CD2 4.26Å; Y149-L177 HydrophobicContact CG-CD2 3.77Å; W160-L177 HydrophobicContact CE3-CD2 4.28Å; W160-L177 HydrophobicContact CZ3-CD2 3.79Å; I173-L177 HydrophobicContact CG2-CD1 3.59Å; A174-L177 HydrophobicContact CB-CD1 4.43Å; D175-L177 VanDerWaalsContact C-N 3.34Å; L177-N179 PolarHBondContact O-N 3.42Å; L177-K180 HydrophobicContact CD2-CB 4.44Å; L177-K180 HydrophobicContact CD2-CD 4.21Å; L177-K180 PolarHBondContact O-N 3.2Å; L177-I181 HydrophobicContact CB-CG1 4.42Å; L177-V397 HydrophobicContact CB-CG1 3.85Å
178E83.7Confident91.4Very high81 Ų8142.8 Ų42.838%0.37921%0.209SC..THydrogen-bonded Turntrans-56.7127.1176.2-55.475.1-159.500109.1G176 K180G176-E178 WeakPolarHBondContact CA-OE2 3.29Å; G176-E178 PolarHBondContact N-OE1 3.04Å; G176-E178 VanDerWaalsContact N-OE1 3.12Å; G176-E178 PolarHBondContact N-OE2 3.36Å; E178-K180 PolarHBondContact O-N 3.15Å
179N83.5Confident91.3Very high111 Ų11144.1 Ų44.159%0.59422%0.216SC*.THydrogen-bonded Turntrans59.121.4-177.8-50.1-42.4000115.6L177 T393L177-N179 PolarHBondContact O-N 3.42Å; N179-T393 HydrophobicContact CB-CG2 3.96Å; N179-T393 VanDerWaalsContact O-CG2 3.22Å; N179-T393 WeakPolarHBondContact O-CG2 3.37Å
180K91.8Very high91.5Very high88 Ų8842.7 Ų42.738%0.38321%0.209SC..THydrogen-bonded Turntrans-107.4-21.5175.3-65.4-176.7-174159.30113.8R154 W160 G176 L177 E178R154-K180 PolarHBondContact NH1-O 3.38Å; W160-K180 HydrophobicContact CE3-CB 4.35Å; G176-K180 WeakPolarHBondContact O-CE 3.46Å; G176-K180 PolarHBondContact O-NZ 2.87Å; L177-K180 HydrophobicContact CD2-CB 4.44Å; L177-K180 HydrophobicContact CD2-CD 4.21Å; L177-K180 PolarHBondContact O-N 3.2Å; E178-K180 PolarHBondContact O-N 3.15Å
181I95.8Very high91.7Very high0 Ų035.8 Ų35.80%018%0.179CC..  trans-90.3129.9-178.5-60.6-53.7000109.6L144 W160 V162 L177 Y183 T184 T393 F394 V397L144-I181 HydrophobicContact CD1-CD1 3.62Å; L144-I181 HydrophobicContact CG-CD1 4.42Å; W160-I181 HydrophobicContact CB-CD1 3.86Å; W160-I181 HydrophobicContact CE3-CD1 4.04Å; V162-I181 HydrophobicContact CB-CG2 4.32Å; V162-I181 HydrophobicContact CG2-CB 4.49Å; V162-I181 HydrophobicContact CG2-CD1 3.78Å; V162-I181 HydrophobicContact CG2-CG1 3.76Å; V162-I181 HydrophobicContact CG2-CG2 3.96Å; L177-I181 HydrophobicContact CB-CG1 4.42Å; I181-Y183 VanDerWaalsContact CG2-O 3.32Å; I181-Y183 WeakPolarHBondContact CG2-O 3.44Å; I181-T184 HydrophobicContact CG2-CG2 4.11Å; I181-T393 CarbonylContact O-C 3.5Å; I181-T393 WeakPolarHBondContact O-CA 3.26Å; I181-T393 WeakPolarHBondContact O-CG2 3.39Å; I181-F394 HydrophobicContact CG2-CB 4.41Å; I181-F394 PolarHBondContact O-N 3.37Å; I181-V397 HydrophobicContact CB-CB 4.26Å; I181-V397 HydrophobicContact CB-CG1 4.09Å; I181-V397 HydrophobicContact CB-CG2 4.25Å; I181-V397 HydrophobicContact CG1-CB 4.23Å; I181-V397 HydrophobicContact CG1-CG1 3.6Å; I181-V397 HydrophobicContact CG1-CG2 4.2Å; I181-V397 HydrophobicContact CG2-CG2 4.25Å
182N95.4Very high91.7Very high13 Ų1334.9 Ų34.97%0.0717%0.174CC..  trans-81.8-49.2172.9-56.994.6000110.1R154 L159 W160 Y392R154-N182 PolarHBondContact NH1-OD1 3.4Å; R154-N182 PolarHBondContact NH2-ND2 3.47Å; R154-N182 PolarHBondContact NH2-OD1 2.8Å; L159-N182 HydrophobicContact CD2-CB 4.49Å; W160-N182 PolarHBondContact N-OD1 3.47Å; W160-N182 PolarHBondContact O-N 2.69Å; N182-Y392 PolarHBondContact ND2-O 3.27Å; N182-Y392 WeakPolarHBondContact O-CD1 3.26Å; N182-Y392 WeakPolarHBondContact O-CE1 3.46Å
183Y95.3Very high91.6Very high6 Ų627.7 Ų27.72%0.02415%0.147CC..EExtended strand (participates in β ladder)trans-137.7143.8-166.7-54.4-56000111.5L82 L159 W160 F161 V162 I181 T192 L382 Y392L82-Y183 HydrophobicContact CD1-CD1 4Å; L82-Y183 HydrophobicContact CD1-CE1 3.61Å; L82-Y183 HydrophobicContact CD2-CD1 3.96Å; L82-Y183 HydrophobicContact CD2-CE1 3.76Å; L82-Y183 HydrophobicContact CG-CE1 4.35Å; L159-Y183 HydrophobicContact CD1-CE2 4.23Å; L159-Y183 HydrophobicContact CD2-CE2 4.25Å; W160-Y183 PolarHBondContact O-N 2.89Å; F161-Y183 CarbonylContact C-O 3.47Å; F161-Y183 WeakPolarHBondContact CA-O 3.31Å; F161-Y183 HydrophobicContact CD1-CD2 4.29Å; F161-Y183 HydrophobicContact CD1-CG 4.4Å; F161-Y183 HydrophobicContact CD2-CD2 4.24Å; F161-Y183 AromaticContact CE1-CD2 3.65Å; F161-Y183 HydrophobicContact CE1-CD2 3.65Å; F161-Y183 AromaticContact CE1-CG 3.97Å; F161-Y183 HydrophobicContact CE1-CG 3.97Å; F161-Y183 AromaticContact CE2-CD2 3.61Å; F161-Y183 HydrophobicContact CE2-CD2 3.61Å; F161-Y183 HydrophobicContact CE2-CE2 4.34Å; F161-Y183 AromaticContact CZ-CD2 3.29Å; F161-Y183 HydrophobicContact CZ-CD2 3.29Å; F161-Y183 HydrophobicContact CZ-CE2 4.05Å; F161-Y183 HydrophobicContact CZ-CG 4.09Å; V162-Y183 PolarHBondContact N-O 3.32Å; I181-Y183 VanDerWaalsContact CG2-O 3.32Å; I181-Y183 WeakPolarHBondContact CG2-O 3.44Å; Y183-T192 WeakPolarHBondContact CA-OG1 3.41Å; Y183-T192 HydrophobicContact CD1-CG2 3.5Å; Y183-T192 VanDerWaalsContact CD1-CG2 3.5Å; Y183-T192 HydrophobicContact CE1-CG2 4.41Å; Y183-T192 HydrophobicContact CG-CG2 4.07Å; Y183-L382 HydrophobicContact CD2-CD1 3.95Å; Y183-L382 HydrophobicContact CE2-CB 4.29Å; Y183-L382 HydrophobicContact CE2-CD1 3.96Å; Y183-L382 HydrophobicContact CE2-CD2 4.33Å; Y183-L382 HydrophobicContact CE2-CG 4.43Å; Y183-L382 HydrophobicContact CG-CD1 4.22Å; Y183-Y392 HydrophobicContact CD1-CD1 4.07Å; Y183-Y392 HydrophobicContact CD1-CE1 4.48Å; Y183-Y392 AromaticContact CE1-CD1 3.95Å; Y183-Y392 HydrophobicContact CE1-CD1 3.95Å
184T95.4Very high91.3Very high0 Ų028.5 Ų28.50%015%0.15CC..EExtended strand (participates in β ladder)trans-116.2136.9178.655.50000110.5V162 I181 S191 T192 I193 F394 V397 W400V162-T184 HydrophobicContact CB-CG2 4.38Å; V162-T184 CarbonylContact O-C 3.59Å; I181-T184 HydrophobicContact CG2-CG2 4.11Å; T184-S191 VanDerWaalsContact OG1-CA 3.31Å; T184-S191 WeakPolarHBondContact OG1-CA 3.4Å; T184-S191 WeakPolarHBondContact OG1-CB 3.35Å; T184-T192 PolarHBondContact N-OG1 3.31Å; T184-T192 WeakPolarHBondContact O-CB 3.46Å; T184-T192 PolarHBondContact O-N 2.84Å; T184-T192 VanDerWaalsContact O-N 3.17Å; T184-T192 PolarHBondContact OG1-N 2.85Å; T184-T192 PolarHBondContact OG1-OG1 3.43Å; T184-I193 PolarHBondContact O-N 3.09Å; T184-F394 HydrophobicContact CG2-CB 4.31Å; T184-F394 HydrophobicContact CG2-CD1 4.1Å; T184-F394 HydrophobicContact CG2-CD2 3.78Å; T184-F394 HydrophobicContact CG2-CE1 4.41Å; T184-F394 HydrophobicContact CG2-CE2 4.1Å; T184-F394 HydrophobicContact CG2-CG 3.78Å; T184-F394 HydrophobicContact CG2-CZ 4.4Å; T184-F394 WeakPolarHBondContact OG1-CE2 3.16Å; T184-V397 HydrophobicContact CG2-CG2 3.84Å; T184-W400 HydrophobicContact CG2-CE3 4.44Å; T184-W400 HydrophobicContact CG2-CH2 4.21Å; T184-W400 HydrophobicContact CG2-CZ3 3.79Å
185I94.8Very high91.2Very high0 Ų027.8 Ų27.80%014%0.144CC..EExtended strand (participates in β ladder)trans-125.6101179.6-46.8-176.6000108F161 V162 F163 V164 I193 L195 P375 I379F161-I185 HydrophobicContact CD1-CD1 3.7Å; F161-I185 HydrophobicContact CD1-CG1 4Å; F161-I185 HydrophobicContact CE1-CD1 4.28Å; V162-I185 PolarHBondContact O-N 3.46Å; F163-I185 WeakPolarHBondContact CA-O 3.43Å; F163-I185 HydrophobicContact CB-CB 4.5Å; F163-I185 HydrophobicContact CD2-CB 3.79Å; F163-I185 HydrophobicContact CD2-CD1 4.18Å; F163-I185 HydrophobicContact CD2-CG2 3.66Å; F163-I185 HydrophobicContact CE2-CB 4.46Å; F163-I185 HydrophobicContact CE2-CG2 3.82Å; F163-I185 HydrophobicContact CG-CB 4.48Å; V164-I185 PolarHBondContact N-O 2.65Å; V164-I185 VanDerWaalsContact N-O 3.12Å; I185-I193 WeakPolarHBondContact CA-O 3.38Å; I185-I193 HydrophobicContact CD1-CD1 4.02Å; I185-I193 HydrophobicContact CG1-CB 4.08Å; I185-I193 HydrophobicContact CG1-CD1 3.97Å; I185-I193 HydrophobicContact CG1-CG1 4.43Å; I185-I193 HydrophobicContact CG2-CB 4.34Å; I185-I193 HydrophobicContact CG2-CG2 4.33Å; I185-L195 HydrophobicContact CG2-CB 3.94Å; I185-L195 HydrophobicContact CG2-CD2 3.83Å; I185-P375 HydrophobicContact CD1-CB 4.32Å; I185-P375 HydrophobicContact CG2-CB 3.96Å; I185-I379 HydrophobicContact CD1-CD1 3.51Å; I185-I379 HydrophobicContact CD1-CG1 3.6Å
186T93.9Very high91.1Very high0 Ų023.1 Ų23.10%012%0.119CC..EExtended strand (participates in β ladder)trans-152.6171.6-173.979.70000111.1V164 R188 S191 I193 L195 W400 W401V164-T186 HydrophobicContact CG2-CG2 3.5Å; V164-T186 VanDerWaalsContact CG2-CG2 3.5Å; V164-T186 WeakPolarHBondContact O-CA 3.42Å; V164-T186 VanDerWaalsContact O-CB 3.26Å; V164-T186 WeakPolarHBondContact O-CB 3.36Å; T186-R188 PolarHBondContact O-N 3.36Å; T186-R188 WeakPolarHBondContact OG1-CB 3.5Å; T186-R188 PolarHBondContact OG1-N 3.28Å; T186-S191 PolarHBondContact O-OG 3.4Å; T186-S191 WeakPolarHBondContact OG1-CB 3.49Å; T186-I193 PolarHBondContact N-O 3.08Å; T186-L195 CarbonylContact C-O 3.42Å; T186-L195 PolarHBondContact O-N 3.42Å; T186-W400 HydrophobicContact CG2-CH2 3.98Å; T186-W400 HydrophobicContact CG2-CZ3 4.33Å; T186-W401 HydrophobicContact CG2-CE3 4.16Å; T186-W401 HydrophobicContact CG2-CH2 4.47Å; T186-W401 HydrophobicContact CG2-CZ3 3.81Å
187Y91.8Very high91.2Very high4 Ų424.3 Ų24.32%0.01612%0.116CC..SBendtrans-69.7-8.7169.964-104.3000113.7Y194 L195 Y197 A293 D294 Y295 W401Y187-Y194 VanDerWaalsContact O-CE2 3.25Å; Y187-Y194 WeakPolarHBondContact O-CE2 3.34Å; Y187-L195 WeakPolarHBondContact CA-O 3.43Å; Y187-L195 PolarHBondContact N-O 3.48Å; Y187-Y197 HydrophobicContact CD1-CE2 4.38Å; Y187-A293 WeakPolarHBondContact CE2-O 3.49Å; Y187-D294 HydrophobicContact CD2-CB 4.35Å; Y187-D294 WeakPolarHBondContact CD2-O 3.29Å; Y187-Y295 AromaticContact CD1-CD2 3.8Å; Y187-Y295 HydrophobicContact CD1-CD2 3.8Å; Y187-Y295 HydrophobicContact CD1-CE2 4.23Å; Y187-Y295 HydrophobicContact CD2-CD2 4.12Å; Y187-Y295 AromaticContact CE1-CD2 3.45Å; Y187-Y295 HydrophobicContact CE1-CD2 3.45Å; Y187-Y295 VanDerWaalsContact CE1-CD2 3.45Å; Y187-Y295 AromaticContact CE1-CE2 3.96Å; Y187-Y295 HydrophobicContact CE1-CE2 3.96Å; Y187-Y295 HydrophobicContact CE1-CG 4.47Å; Y187-Y295 AromaticContact CE2-CD2 3.84Å; Y187-Y295 HydrophobicContact CE2-CD2 3.84Å; Y187-Y295 HydrophobicContact CE2-CG 4.25Å; Y187-Y295 HydrophobicContact CG-CD2 4.13Å; Y187-Y295 AromaticContact CZ-CD2 3.49Å; Y187-Y295 VanDerWaalsContact CZ-CD2 3.49Å; Y187-W401 HydrophobicContact CD1-CH2 4.39Å; Y187-W401 AromaticContact CE1-CH2 3.54Å; Y187-W401 HydrophobicContact CE1-CH2 3.54Å; Y187-W401 HydrophobicContact CE1-CZ3 4.14Å; Y187-W401 AromaticContact CZ-CH2 3.74Å
188R93.3Very high91.1Very high25 Ų2525.9 Ų25.99%0.09412%0.123CC..  trans-71.6135.1177-68.6-177.258.7140.4-1.1111.1T186 D190 S191 W400 W401T186-R188 PolarHBondContact O-N 3.36Å; T186-R188 WeakPolarHBondContact OG1-CB 3.5Å; T186-R188 PolarHBondContact OG1-N 3.28Å; R188-D190 VanDerWaalsContact CB-OD1 3.29Å; R188-D190 WeakPolarHBondContact CB-OD1 3.22Å; R188-D190 IonicContact CZ-OD1 3.97Å; R188-D190 IonicContact CZ-OD2 2.78Å; R188-D190 IonicContact NE-OD1 3.31Å; R188-D190 PolarHBondContact NE-OD1 2.92Å; R188-D190 IonicContact NE-OD2 2.69Å; R188-D190 IonicContact NH2-OD1 3.85Å; R188-D190 PolarHBondContact NH2-OD1 3.17Å; R188-D190 IonicContact NH2-OD2 3.39Å; R188-D190 PolarHBondContact NH2-OD2 3.38Å; R188-D190 PolarHBondContact O-N 3.22Å; R188-S191 WeakPolarHBondContact O-CB 3.41Å; R188-S191 PolarHBondContact O-N 3.19Å; R188-S191 VanDerWaalsContact O-N 3.09Å; R188-S191 PolarHBondContact O-OG 2.76Å; R188-W400 HydrophobicContact CB-CH2 4.38Å; R188-W400 HydrophobicContact CB-CZ2 3.9Å; R188-W400 HydrophobicContact CG-CZ2 4.32Å; R188-W400 PolarHBondContact NH1-O 3.01Å; R188-W401 HydrophobicContact CG-CZ3 4.2Å
189M89.7Confident91Very high33 Ų3323.2 Ų23.216%0.16311%0.112CC..THydrogen-bonded Turntrans-65.7-24.2-178.7-72.7-75.9-76.900112.7Y194 D294 V324M189-Y194 HydrophobicContact CG-CE2 4.02Å; M189-Y194 HydrophobicContact SD-CD1 4.12Å; M189-Y194 HydrophobicContact SD-CD2 4.03Å; M189-Y194 HydrophobicContact SD-CE1 3.57Å; M189-Y194 VanDerWaalsContact SD-CE1 3.57Å; M189-Y194 HydrophobicContact SD-CE2 3.46Å; M189-Y194 WeakPolarHBondContact SD-CE2 3.31Å; M189-Y194 HydrophobicContact SD-CG 4.32Å; M189-Y194 PolarHBondContact SD-OH 3.06Å; M189-D294 WeakPolarHBondContact CB-OD2 3.31Å; M189-D294 HydrophobicContact CG-CB 4.41Å; M189-D294 PolarHBondContact N-OD2 3.1Å; M189-V324 HydrophobicContact SD-CG1 4.44Å
190D91.8Very high91.3Very high67 Ų6719.2 Ų19.236%0.3589%0.088SC..THydrogen-bonded Turntrans-9512.1177.766.7-13.8000113.4R188 W400R188-D190 VanDerWaalsContact CB-OD1 3.29Å; R188-D190 WeakPolarHBondContact CB-OD1 3.22Å; R188-D190 IonicContact CZ-OD1 3.97Å; R188-D190 IonicContact CZ-OD2 2.78Å; R188-D190 IonicContact NE-OD1 3.31Å; R188-D190 PolarHBondContact NE-OD1 2.92Å; R188-D190 IonicContact NE-OD2 2.69Å; R188-D190 IonicContact NH2-OD1 3.85Å; R188-D190 PolarHBondContact NH2-OD1 3.17Å; R188-D190 IonicContact NH2-OD2 3.39Å; R188-D190 PolarHBondContact NH2-OD2 3.38Å; R188-D190 PolarHBondContact O-N 3.22Å; D190-W400 VanDerWaalsContact OD1-CZ2 3.31Å; D190-W400 WeakPolarHBondContact OD1-CZ2 3.41Å; D190-W400 PolarHBondContact OD1-NE1 2.95Å; D190-W400 VanDerWaalsContact OD1-NE1 3.15Å; D190-W400 PolarHBondContact OD2-NE1 3.24Å
191S93.4Very high91.1Very high0 Ų017.9 Ų17.90%09%0.088CC..SBendtrans-74.5158.9168.364.80000111.9T81 T184 T186 R188 I193T81-S191 VanDerWaalsContact CB-O 3.29Å; T81-S191 WeakPolarHBondContact CB-O 3.45Å; T81-S191 PolarHBondContact OG1-O 3.21Å; T184-S191 VanDerWaalsContact OG1-CA 3.31Å; T184-S191 WeakPolarHBondContact OG1-CA 3.4Å; T184-S191 WeakPolarHBondContact OG1-CB 3.35Å; T186-S191 PolarHBondContact O-OG 3.4Å; T186-S191 WeakPolarHBondContact OG1-CB 3.49Å; R188-S191 WeakPolarHBondContact O-CB 3.41Å; R188-S191 PolarHBondContact O-N 3.19Å; R188-S191 VanDerWaalsContact O-N 3.09Å; R188-S191 PolarHBondContact O-OG 2.76Å; S191-I193 VanDerWaalsContact C-N 3.33Å; S191-I193 PolarHBondContact O-N 3.49Å; S191-I193 PolarHBondContact OG-O 2.83Å
192T91.7Very high90.9Very high1 Ų119.6 Ų19.61%0.00610%0.098CC..SBendtrans-59.4-46.4176.7-53.90000111.1I80 T81 L82 Y183 T184I80-T192 CarbonylContact C-O 3.51Å; I80-T192 VanDerWaalsContact CA-O 3.26Å; I80-T192 WeakPolarHBondContact CA-O 3.44Å; T81-T192 PolarHBondContact N-O 2.75Å; L82-T192 HydrophobicContact CD1-CG2 3.71Å; L82-T192 HydrophobicContact CD2-CG2 3.58Å; L82-T192 HydrophobicContact CG-CG2 3.48Å; L82-T192 VanDerWaalsContact CG-CG2 3.48Å; Y183-T192 WeakPolarHBondContact CA-OG1 3.41Å; Y183-T192 HydrophobicContact CD1-CG2 3.5Å; Y183-T192 VanDerWaalsContact CD1-CG2 3.5Å; Y183-T192 HydrophobicContact CE1-CG2 4.41Å; Y183-T192 HydrophobicContact CG-CG2 4.07Å; T184-T192 PolarHBondContact N-OG1 3.31Å; T184-T192 WeakPolarHBondContact O-CB 3.46Å; T184-T192 PolarHBondContact O-N 2.84Å; T184-T192 VanDerWaalsContact O-N 3.17Å; T184-T192 PolarHBondContact OG1-N 2.85Å; T184-T192 PolarHBondContact OG1-OG1 3.43Å
193I90.2Very high90.7Very high0 Ų023.2 Ų23.20%013%0.125CC..EExtended strand (participates in β ladder)trans-122.4103.4179-56.6172.5000106N78 F161 T184 I185 T186 S191 L195 V378 L382N78-I193 HydrophobicContact CB-CG2 3.66Å; F161-I193 HydrophobicContact CE1-CD1 4.04Å; T184-I193 PolarHBondContact O-N 3.09Å; I185-I193 WeakPolarHBondContact CA-O 3.38Å; I185-I193 HydrophobicContact CD1-CD1 4.02Å; I185-I193 HydrophobicContact CG1-CB 4.08Å; I185-I193 HydrophobicContact CG1-CD1 3.97Å; I185-I193 HydrophobicContact CG1-CG1 4.43Å; I185-I193 HydrophobicContact CG2-CB 4.34Å; I185-I193 HydrophobicContact CG2-CG2 4.33Å; T186-I193 PolarHBondContact N-O 3.08Å; S191-I193 VanDerWaalsContact C-N 3.33Å; S191-I193 PolarHBondContact O-N 3.49Å; S191-I193 PolarHBondContact OG-O 2.83Å; I193-L195 PolarHBondContact O-N 3.13Å; I193-V378 HydrophobicContact CD1-CB 4.03Å; I193-V378 HydrophobicContact CD1-CG1 3.43Å; I193-V378 VanDerWaalsContact CD1-CG1 3.43Å; I193-V378 HydrophobicContact CG1-CG1 3.96Å; I193-L382 HydrophobicContact CD1-CD1 4.15Å
194Y88.3Confident90.5Very high17 Ų1726 Ų267%0.06714%0.142CC..EExtended strand (participates in β ladder)trans-70.4118179.3175-127.6000109.8K79 Y187 M189 P196 N199 V324K79-Y194 HydrophobicContact CB-CD1 4.21Å; K79-Y194 HydrophobicContact CD-CD1 4.46Å; K79-Y194 PolarHBondContact O-N 3.18Å; Y187-Y194 VanDerWaalsContact O-CE2 3.25Å; Y187-Y194 WeakPolarHBondContact O-CE2 3.34Å; M189-Y194 HydrophobicContact CG-CE2 4.02Å; M189-Y194 HydrophobicContact SD-CD1 4.12Å; M189-Y194 HydrophobicContact SD-CD2 4.03Å; M189-Y194 HydrophobicContact SD-CE1 3.57Å; M189-Y194 VanDerWaalsContact SD-CE1 3.57Å; M189-Y194 HydrophobicContact SD-CE2 3.46Å; M189-Y194 WeakPolarHBondContact SD-CE2 3.31Å; M189-Y194 HydrophobicContact SD-CG 4.32Å; M189-Y194 PolarHBondContact SD-OH 3.06Å; Y194-P196 HydrophobicContact CD1-CG 4.07Å; Y194-P196 HydrophobicContact CE1-CB 4.03Å; Y194-P196 HydrophobicContact CE1-CG 3.48Å; Y194-P196 VanDerWaalsContact CE1-CG 3.48Å; Y194-P196 HydrophobicContact CE2-CB 3.79Å; Y194-P196 HydrophobicContact CE2-CG 4.04Å; Y194-P196 VanDerWaalsContact CZ-CB 3.45Å; Y194-P196 VanDerWaalsContact CZ-CG 3.47Å; Y194-P196 VanDerWaalsContact OH-CB 3.29Å; Y194-P196 WeakPolarHBondContact OH-CB 3.25Å; Y194-N199 PolarHBondContact OH-OD1 3.27Å; Y194-V324 WeakPolarHBondContact OH-CG1 3.49Å
195L89.9Confident90Very high5 Ų530.5 Ų30.53%0.02618%0.18CC..  trans-12482.8179.4179.565.3000108.4I115 F163 H165 I185 T186 Y187 I193 P373 P375I115-L195 HydrophobicContact CD1-CD1 4.36Å; I115-L195 HydrophobicContact CD1-CD2 3.73Å; F163-L195 HydrophobicContact CD2-CD2 4.48Å; F163-L195 HydrophobicContact CE2-CD2 3.44Å; F163-L195 VanDerWaalsContact CE2-CD2 3.44Å; F163-L195 HydrophobicContact CZ-CD2 3.52Å; H165-L195 PolarHBondContact CD2-O 3.13Å; H165-L195 PolarHBondContact NE2-O 3.03Å; I185-L195 HydrophobicContact CG2-CB 3.94Å; I185-L195 HydrophobicContact CG2-CD2 3.83Å; T186-L195 CarbonylContact C-O 3.42Å; T186-L195 PolarHBondContact O-N 3.42Å; Y187-L195 WeakPolarHBondContact CA-O 3.43Å; Y187-L195 PolarHBondContact N-O 3.48Å; I193-L195 PolarHBondContact O-N 3.13Å; L195-P373 HydrophobicContact CD1-CB 3.28Å; L195-P373 HydrophobicContact CD1-CG 3.4Å; L195-P375 HydrophobicContact CD1-CG 4.25Å; L195-P375 HydrophobicContact CD2-CG 4.21Å
196P88.3Confident89.7Confident8 Ų835.5 Ų35.55%0.05221%0.214CC..  trans-78.1164.8173.730.1-30.4000111.8Y194 H198 N199Y194-P196 HydrophobicContact CD1-CG 4.07Å; Y194-P196 HydrophobicContact CE1-CB 4.03Å; Y194-P196 HydrophobicContact CE1-CG 3.48Å; Y194-P196 VanDerWaalsContact CE1-CG 3.48Å; Y194-P196 HydrophobicContact CE2-CB 3.79Å; Y194-P196 HydrophobicContact CE2-CG 4.04Å; Y194-P196 VanDerWaalsContact CZ-CB 3.45Å; Y194-P196 VanDerWaalsContact CZ-CG 3.47Å; Y194-P196 VanDerWaalsContact OH-CB 3.29Å; Y194-P196 WeakPolarHBondContact OH-CB 3.25Å; P196-H198 VanDerWaalsContact C-N 3.35Å; P196-N199 WeakPolarHBondContact CG-ND2 3.39Å; P196-N199 WeakPolarHBondContact CG-OD1 3.29Å
197Y87.1Confident89.6Confident50 Ų5038 Ų3820%0.19623%0.226CC..SBendtrans-65.2-41.3171-76.4-100.3000112H165 Y187 Y295 I296 T297H165-Y197 AromaticContact CE1-CD1 3.61Å; H165-Y197 AromaticContact CE1-CD2 3.42Å; H165-Y197 VanDerWaalsContact CE1-CD2 3.42Å; H165-Y197 WeakPolarHBondContact CE1-CD2 3.39Å; H165-Y197 AromaticContact CE1-CE1 3.65Å; H165-Y197 AromaticContact CE1-CE2 3.45Å; H165-Y197 VanDerWaalsContact CE1-CE2 3.45Å; H165-Y197 WeakPolarHBondContact CE1-CE2 3.23Å; H165-Y197 AromaticContact CE1-CG 3.52Å; H165-Y197 AromaticContact CE1-CZ 3.59Å; H165-Y197 AromaticContact ND1-CE1 3.81Å; H165-Y197 AromaticContact ND1-CE2 3.79Å; H165-Y197 AromaticContact ND1-CZ 3.6Å; H165-Y197 AromaticContact NE2-CD2 3.64Å; H165-Y197 AromaticContact NE2-CE2 3.79Å; H165-Y197 PolarHBondContact O-OH 3.38Å; Y187-Y197 HydrophobicContact CD1-CE2 4.38Å; Y197-Y295 HydrophobicContact CE2-CD2 4.4Å; Y197-Y295 AromaticContact CE2-CE2 3.84Å; Y197-Y295 HydrophobicContact CE2-CE2 3.84Å; Y197-Y295 PolarHBondContact OH-OH 3.35Å; Y197-I296 WeakPolarHBondContact CD2-O 3.48Å; Y197-T297 HydrophobicContact CD2-CG2 3.99Å; Y197-T297 HydrophobicContact CE1-CG2 4.25Å; Y197-T297 HydrophobicContact CE2-CG2 3.68Å; Y197-T297 HydrophobicContact CG-CG2 4.39Å
198H87.4Confident89.5Confident34 Ų3439.1 Ų39.116%0.15724%0.239CC..  trans-160.3161.7-173.8-66.8-82.8000109.1P196 F301 D369P196-H198 VanDerWaalsContact C-N 3.35Å; H198-F301 HydrophobicContact CB-CB 3.42Å; H198-F301 VanDerWaalsContact CB-CB 3.42Å; H198-F301 HydrophobicContact CB-CD1 3.69Å; H198-F301 HydrophobicContact CB-CD2 3.42Å; H198-F301 VanDerWaalsContact CB-CD2 3.42Å; H198-F301 HydrophobicContact CB-CE1 4.25Å; H198-F301 HydrophobicContact CB-CE2 3.97Å; H198-F301 HydrophobicContact CB-CG 3.23Å; H198-F301 HydrophobicContact CB-CZ 4.36Å; H198-F301 VanDerWaalsContact CG-CB 3.47Å; H198-F301 AromaticContact CG-CG 3.89Å; H198-D369 VanDerWaalsContact CB-OD1 3.25Å; H198-D369 WeakPolarHBondContact CB-OD1 3.42Å; H198-D369 IonicContact CE1-OD1 3.59Å; H198-D369 IonicContact CE1-OD2 2.69Å; H198-D369 PolarHBondContact CE1-OD2 3.21Å; H198-D369 VanDerWaalsContact CE1-OD2 3.29Å; H198-D369 IonicContact CG-OD1 2.69Å; H198-D369 VanDerWaalsContact CG-OD1 3.31Å; H198-D369 IonicContact CG-OD2 3.07Å; H198-D369 IonicContact ND1-OD1 2.66Å; H198-D369 PolarHBondContact ND1-OD1 2.86Å; H198-D369 IonicContact ND1-OD2 2.62Å; H198-D369 PolarHBondContact ND1-OD2 3.35Å
199N82.9Confident89.4Confident26 Ų2640.6 Ų40.614%0.13925%0.252CS..  trans-145.9155.7173-68.6-52000111.3Y194 P196 I368 D369Y194-N199 PolarHBondContact OH-OD1 3.27Å; P196-N199 WeakPolarHBondContact CG-ND2 3.39Å; P196-N199 WeakPolarHBondContact CG-OD1 3.29Å; N199-I368 WeakPolarHBondContact O-CA 3.09Å; N199-D369 PolarHBondContact O-N 2.86Å
200Y89.5Confident89.6Confident26 Ų2645.3 Ų45.310%0.10228%0.278CS..EExtended strand (participates in β ladder)trans-89135.9160.6173.2-108.9000110.8P202 V324 P326 W362 H365 G366 T367 I368Y200-P202 HydrophobicContact CE1-CB 3.86Å; Y200-P202 HydrophobicContact CE1-CG 4.46Å; Y200-V324 WeakPolarHBondContact CB-O 3.37Å; Y200-V324 PolarHBondContact N-O 2.99Å; Y200-V324 VanDerWaalsContact N-O 3.16Å; Y200-P326 HydrophobicContact CD1-CB 4.15Å; Y200-P326 HydrophobicContact CD1-CG 4.47Å; Y200-P326 HydrophobicContact CD2-CB 3.83Å; Y200-P326 HydrophobicContact CD2-CG 3.6Å; Y200-P326 HydrophobicContact CE1-CB 4.24Å; Y200-P326 HydrophobicContact CE2-CB 3.88Å; Y200-P326 HydrophobicContact CE2-CG 4.08Å; Y200-P326 HydrophobicContact CG-CB 3.94Å; Y200-P326 HydrophobicContact CG-CG 3.78Å; Y200-W362 HydrophobicContact CD2-CE3 4.26Å; Y200-W362 AromaticContact CE2-CE3 3.86Å; Y200-W362 HydrophobicContact CE2-CE3 3.86Å; Y200-W362 HydrophobicContact CE2-CZ3 4.49Å; Y200-H365 VanDerWaalsContact OH-C 3.29Å; Y200-H365 PolarHBondContact OH-O 3.49Å; Y200-G366 PolarHBondContact OH-N 2.86Å; Y200-T367 WeakPolarHBondContact CA-O 3.22Å; Y200-I368 HydrophobicContact CD2-CD1 3.96Å; Y200-I368 HydrophobicContact CG-CD1 4.39Å
201V88.3Confident89.8Confident61 Ų6143.9 Ų43.937%0.3727%0.272SS..EExtended strand (participates in β ladder)trans-119115172.7-179.90000108.8G366 T367 A370V201-G366 CarbonylContact O-C 3.58Å; V201-G366 WeakPolarHBondContact O-CA 3.49Å; V201-T367 PolarHBondContact N-O 3.17Å; V201-T367 PolarHBondContact O-N 2.81Å; V201-A370 HydrophobicContact CB-CB 3.87Å; V201-A370 HydrophobicContact CG1-CB 4.42Å; V201-A370 HydrophobicContact CG2-CB 3.72Å
202P91.1Very high89.9Confident35 Ų3553.5 Ų53.523%0.22731%0.313CS..EExtended strand (participates in β ladder)trans-70.5144.2175.929.7-33.2000110.7Y200 V204 H207 H365Y200-P202 HydrophobicContact CE1-CB 3.86Å; Y200-P202 HydrophobicContact CE1-CG 4.46Å; P202-V204 WeakPolarHBondContact CB-O 3.27Å; P202-V204 PolarHBondContact O-N 2.74Å; P202-H207 HydrophobicContact CB-CB 3.93Å; P202-H365 WeakPolarHBondContact CA-O 3.5Å
203S90.7Very high90.1Very high89 Ų8955.2 Ų55.262%0.62232%0.32SS*.SBendtrans-66.7-18.8174.1-54.70000112.8H365 G366S203-H365 PolarHBondContact N-O 3.23Å; S203-H365 VanDerWaalsContact OG-C 3.3Å; S203-H365 PolarHBondContact OG-O 2.71Å; S203-G366 PolarHBondContact OG-N 2.63Å
204V90.4Very high90.4Very high65 Ų6564 Ų6439%0.39436%0.358SS..SBendtrans-120.9118.8175.9-179.70000108.2P202 S206 H207P202-V204 WeakPolarHBondContact CB-O 3.27Å; P202-V204 PolarHBondContact O-N 2.74Å; V204-S206 WeakPolarHBondContact CG1-OG 3.37Å; V204-S206 PolarHBondContact O-N 3.1Å; V204-S206 VanDerWaalsContact O-N 3.14Å; V204-H207 WeakPolarHBondContact O-CB 3.36Å; V204-H207 PolarHBondContact O-N 3.35Å
205A85.4Confident90.7Very high95 Ų9567.4 Ų67.479%0.78538%0.377SS*.THydrogen-bonded Turntrans-61.5-24.6-172.900000114.5H207A205-H207 VanDerWaalsContact C-N 3.31Å
206S88.8Confident91Very high104 Ų10468 Ų6873%0.72738%0.381SS*.THydrogen-bonded Turntrans-79.5-9.9177.162.40000113.9V204V204-S206 WeakPolarHBondContact CG1-OG 3.37Å; V204-S206 PolarHBondContact O-N 3.1Å; V204-S206 VanDerWaalsContact O-N 3.14Å
207H91.3Very high91.3Very high52 Ų5272.8 Ų72.824%0.24142%0.415CS..  trans-73.3137.4177.1-66.5-179.1000110.8P202 V204 A205 T211 Y213P202-H207 HydrophobicContact CB-CB 3.93Å; V204-H207 WeakPolarHBondContact O-CB 3.36Å; V204-H207 PolarHBondContact O-N 3.35Å; A205-H207 VanDerWaalsContact C-N 3.31Å; H207-T211 WeakPolarHBondContact CA-OG1 3.22Å; H207-T211 HydrophobicContact CB-CG2 4.25Å; H207-Y213 WeakPolarHBondContact CB-OH 3.31Å; H207-Y213 AromaticContact CE1-CE1 3.63Å; H207-Y213 AromaticContact ND1-CE1 3.38Å; H207-Y213 WeakPolarHBondContact ND1-CE1 3.25Å; H207-Y213 AromaticContact ND1-CZ 3.61Å; H207-Y213 PolarHBondContact ND1-OH 3.15Å
208G90.1Very high91.7Very high28 Ų2877 Ų7729%0.28943%0.431SS..  trans-137.3-173.7-177.600000112.2D210 T211 P327G208-D210 PolarHBondContact O-N 2.96Å; G208-T211 PolarHBondContact N-OG1 2.65Å; G208-T211 VanDerWaalsContact O-CB 3.29Å; G208-T211 WeakPolarHBondContact O-CB 3.34Å; G208-T211 PolarHBondContact O-N 3.45Å; G208-T211 PolarHBondContact O-OG1 3.03Å; G208-T211 VanDerWaalsContact O-OG1 3.14Å; G208-P327 WeakPolarHBondContact O-CG 3.48Å
209P91.5Very high92.1Very high57 Ų5777.7 Ų77.737%0.3744%0.435SS..THydrogen-bonded Turntrans-59.1-25.4-171.2-25.534.8000115.4K322P209-K322 HydrophobicContact CB-CB 4Å; P209-K322 WeakPolarHBondContact CB-O 3.17Å; P209-K322 VanDerWaalsContact CG-O 3.29Å; P209-K322 WeakPolarHBondContact CG-O 2.95Å
210D93.4Very high92.8Very high132 Ų13277.6 Ų77.671%0.70643%0.433SS*.THydrogen-bonded Turntrans-97.42.3-179.2-58.3-50.3000113.4G208 K212G208-D210 PolarHBondContact O-N 2.96Å; D210-K212 PolarHBondContact O-N 3.14Å
211T95.5Very high93.1Very high37 Ų3776.6 Ų76.623%0.22743%0.43CS..  trans-62.6129.3176.4-63.20000110.3H207 G208 Y213 P327H207-T211 WeakPolarHBondContact CA-OG1 3.22Å; H207-T211 HydrophobicContact CB-CG2 4.25Å; G208-T211 PolarHBondContact N-OG1 2.65Å; G208-T211 VanDerWaalsContact O-CB 3.29Å; G208-T211 WeakPolarHBondContact O-CB 3.34Å; G208-T211 PolarHBondContact O-N 3.45Å; G208-T211 PolarHBondContact O-OG1 3.03Å; G208-T211 VanDerWaalsContact O-OG1 3.14Å; T211-Y213 HydrophobicContact CG2-CD1 3.98Å; T211-Y213 HydrophobicContact CG2-CE1 3.42Å; T211-Y213 VanDerWaalsContact CG2-CE1 3.42Å; T211-Y213 HydrophobicContact CG2-CE2 4.41Å; T211-P327 VanDerWaalsContact O-CB 3.25Å; T211-P327 WeakPolarHBondContact O-CB 3.32Å
212K95.5Very high93.5Very high202 Ų20278.6 Ų78.688%0.87844%0.443SS*.  trans-100.2115.7177.8-62.8-175.6-178.6-179.40110.2D210D210-K212 PolarHBondContact O-N 3.14Å
213Y96.3Very high93.7Very high37 Ų3779.9 Ų79.915%0.14546%0.463CS..PPolyproline II helixtrans-91.5157.8175.4-61.9-53000111.8H207 T211 P327 W362 H365H207-Y213 WeakPolarHBondContact CB-OH 3.31Å; H207-Y213 AromaticContact CE1-CE1 3.63Å; H207-Y213 AromaticContact ND1-CE1 3.38Å; H207-Y213 WeakPolarHBondContact ND1-CE1 3.25Å; H207-Y213 AromaticContact ND1-CZ 3.61Å; H207-Y213 PolarHBondContact ND1-OH 3.15Å; T211-Y213 HydrophobicContact CG2-CD1 3.98Å; T211-Y213 HydrophobicContact CG2-CE1 3.42Å; T211-Y213 VanDerWaalsContact CG2-CE1 3.42Å; T211-Y213 HydrophobicContact CG2-CE2 4.41Å; Y213-P327 HydrophobicContact CE2-CB 4.14Å; Y213-P327 HydrophobicContact CE2-CG 3.83Å; Y213-W362 HydrophobicContact CD2-CB 4.12Å; Y213-W362 HydrophobicContact CE2-CB 4.17Å; Y213-H365 HydrophobicContact CD1-CB 3.92Å; Y213-H365 AromaticContact CD1-CD2 3.15Å; Y213-H365 WeakPolarHBondContact CD1-CD2 3.45Å; Y213-H365 AromaticContact CD1-CG 3.49Å; Y213-H365 VanDerWaalsContact CD1-CG 3.49Å; Y213-H365 AromaticContact CD1-NE2 3.67Å; Y213-H365 HydrophobicContact CD2-CB 4.38Å; Y213-H365 AromaticContact CD2-CD2 3.97Å; Y213-H365 HydrophobicContact CE1-CB 3.53Å; Y213-H365 AromaticContact CE1-CD2 3.74Å; Y213-H365 AromaticContact CE1-CG 3.57Å; Y213-H365 HydrophobicContact CE2-CB 4.02Å; Y213-H365 HydrophobicContact CG-CB 4.33Å; Y213-H365 AromaticContact CG-CD2 3.29Å; Y213-H365 AromaticContact CG-CG 3.98Å; Y213-H365 AromaticContact CG-NE2 3.98Å
214K96Very high94Very high183 Ų18376.6 Ų76.680%0.79644%0.437SS*.PPolyproline II helixtrans-74.2156.1171.9-67.2-178.9-179.9177.20109.4A361K214-A361 VanDerWaalsContact O-CB 3.25Å; K214-A361 WeakPolarHBondContact O-CB 3.48Å
215L95.9Very high94.2Very high90 Ų9078.2 Ų78.247%0.47145%0.451SS..PPolyproline II helixtrans-52.9139.7174.4-76.4171000110.9T354 N357 E358L215-T354 HydrophobicContact CD1-CG2 3.89Å; L215-N357 HydrophobicContact CD2-CB 4.23Å; L215-E358 HydrophobicContact CD2-CB 4.4Å; L215-E358 HydrophobicContact CD2-CG 3.65Å
216P96Very high94.8Very high16 Ų1677.3 Ų77.310%0.10443%0.43CS..PPolyproline II helixtrans-67.9152.6179.929.6-34000111R218 Y220 N357 F360P216-R218 VanDerWaalsContact C-N 3.26Å; P216-R218 PolarHBondContact O-N 3.38Å; P216-Y220 HydrophobicContact CB-CD2 4.45Å; P216-Y220 HydrophobicContact CB-CE2 3.9Å; P216-Y220 HydrophobicContact CG-CD2 4.03Å; P216-Y220 HydrophobicContact CG-CE2 3.97Å; P216-N357 VanDerWaalsContact CD-O 3.31Å; P216-N357 WeakPolarHBondContact CD-O 3.48Å; P216-N357 HydrophobicContact CG-CB 4.33Å; P216-F360 HydrophobicContact CG-CB 4.19Å
217S94.6Very high95.1Very high110 Ų11074.5 Ų74.577%0.76941%0.406SS*.SBendtrans-62.8-32.5175.354.50000113.2E364S217-E364 PolarHBondContact N-OE1 3.02Å; S217-E364 PolarHBondContact OG-OE1 3Å
218R95.5Very high95.5Very high138 Ų13872.1 Ų72.152%0.52140%0.395SS..SBendtrans-90.1133.6178.7175.9-178.2176.3-172.8-0.2111.2P216 Y220 N357P216-R218 VanDerWaalsContact C-N 3.26Å; P216-R218 PolarHBondContact O-N 3.38Å; R218-Y220 HydrophobicContact CB-CD2 4.43Å; R218-Y220 HydrophobicContact CB-CE2 4.03Å; R218-Y220 HydrophobicContact CG-CD2 4.34Å; R218-Y220 HydrophobicContact CG-CE2 4.23Å; R218-Y220 VanDerWaalsContact O-CD2 3.22Å; R218-Y220 WeakPolarHBondContact O-CD2 3.49Å; R218-Y220 PolarHBondContact O-N 2.86Å; R218-N357 PolarHBondContact O-OD1 3.32Å
219N96.5Very high95.9Very high49 Ų4970.8 Ų70.826%0.26238%0.381SS..  trans-78.5108.9164.2-174.1-6.9000110.5A221 T222 E353 N357N219-A221 VanDerWaalsContact C-N 3.3Å; N219-A221 VanDerWaalsContact OD1-CB 3.29Å; N219-A221 WeakPolarHBondContact OD1-CB 3.25Å; N219-A221 PolarHBondContact OD1-N 2.92Å; N219-T222 PolarHBondContact O-OG1 3.02Å; N219-E353 PolarHBondContact ND2-OE2 2.93Å; N219-N357 WeakPolarHBondContact CA-OD1 3.35Å; N219-N357 PolarHBondContact OD1-ND2 3.36Å
220Y96.6Very high96.2Very high23 Ų2368.3 Ų68.39%0.0936%0.364CS..THydrogen-bonded Turntrans-78.3-10.3179.2-74.8-91.3000113.6P216 R218 K224 N308 N357 F360 H363P216-Y220 HydrophobicContact CB-CD2 4.45Å; P216-Y220 HydrophobicContact CB-CE2 3.9Å; P216-Y220 HydrophobicContact CG-CD2 4.03Å; P216-Y220 HydrophobicContact CG-CE2 3.97Å; R218-Y220 HydrophobicContact CB-CD2 4.43Å; R218-Y220 HydrophobicContact CB-CE2 4.03Å; R218-Y220 HydrophobicContact CG-CD2 4.34Å; R218-Y220 HydrophobicContact CG-CE2 4.23Å; R218-Y220 VanDerWaalsContact O-CD2 3.22Å; R218-Y220 WeakPolarHBondContact O-CD2 3.49Å; R218-Y220 PolarHBondContact O-N 2.86Å; Y220-K224 WeakPolarHBondContact O-CD 3.29Å; Y220-K224 WeakPolarHBondContact O-CE 3.38Å; Y220-N308 HydrophobicContact CD1-CB 3.9Å; Y220-N308 HydrophobicContact CE1-CB 4.05Å; Y220-N357 PolarHBondContact N-OD1 3.36Å; Y220-F360 HydrophobicContact CD1-CB 4.41Å; Y220-F360 AromaticContact CD1-CD1 3.73Å; Y220-F360 HydrophobicContact CD1-CD1 3.73Å; Y220-F360 HydrophobicContact CD1-CE1 4.17Å; Y220-F360 HydrophobicContact CD1-CG 4.04Å; Y220-F360 HydrophobicContact CD2-CB 3.35Å; Y220-F360 HydrophobicContact CD2-CD1 4.2Å; Y220-F360 HydrophobicContact CD2-CD2 4.31Å; Y220-F360 AromaticContact CD2-CG 3.71Å; Y220-F360 HydrophobicContact CD2-CG 3.71Å; Y220-F360 HydrophobicContact CE1-CD1 4.14Å; Y220-F360 HydrophobicContact CE2-CB 3.64Å; Y220-F360 HydrophobicContact CE2-CG 4.3Å; Y220-F360 HydrophobicContact CG-CB 3.78Å; Y220-F360 AromaticContact CG-CD1 3.75Å; Y220-F360 HydrophobicContact CG-CD1 3.75Å; Y220-F360 HydrophobicContact CG-CD2 4.01Å; Y220-F360 HydrophobicContact CG-CE1 4.34Å; Y220-F360 AromaticContact CG-CG 3.55Å; Y220-F360 HydrophobicContact CG-CG 3.55Å; Y220-H363 AromaticContact CE1-CD2 3.7Å; Y220-H363 AromaticContact CE1-NE2 3.77Å; Y220-H363 AromaticContact CZ-CD2 3.43Å; Y220-H363 VanDerWaalsContact CZ-CD2 3.43Å; Y220-H363 AromaticContact CZ-CG 3.94Å; Y220-H363 AromaticContact CZ-NE2 4Å; Y220-H363 WeakPolarHBondContact OH-CB 3.09Å; Y220-H363 PolarHBondContact OH-CD2 2.75Å; Y220-H363 VanDerWaalsContact OH-CD2 3.27Å; Y220-H363 VanDerWaalsContact OH-CG 3.29Å
221A96.6Very high96.2Very high5 Ų563.4 Ų63.44%0.04134%0.337CS..THydrogen-bonded Turntrans-78.1-25.1174.300000112.2N219 G223 K224 E353 Y356N219-A221 VanDerWaalsContact C-N 3.3Å; N219-A221 VanDerWaalsContact OD1-CB 3.29Å; N219-A221 WeakPolarHBondContact OD1-CB 3.25Å; N219-A221 PolarHBondContact OD1-N 2.92Å; A221-G223 PolarHBondContact O-N 2.91Å; A221-K224 WeakPolarHBondContact O-CB 3.17Å; A221-K224 PolarHBondContact O-N 3.07Å; A221-K224 VanDerWaalsContact O-N 3.09Å; A221-E353 HydrophobicContact CB-CG 4.25Å; A221-Y356 HydrophobicContact CB-CD1 3.73Å; A221-Y356 HydrophobicContact CB-CE1 3.89Å
222T95.9Very high96.2Very high103 Ų10362 Ų6263%0.63233%0.328SS*.THydrogen-bonded Turntrans-53.1124.1-175-57.30000112.2N219 K224N219-T222 PolarHBondContact O-OG1 3.02Å; T222-K224 VanDerWaalsContact C-N 3.29Å; T222-K224 PolarHBondContact O-N 3.07Å
223G94.7Very high96Very high63 Ų6355.8 Ų55.865%0.64931%0.31SS*.THydrogen-bonded Turntrans83.9-11.517700000115.5A221 S225A221-G223 PolarHBondContact O-N 2.91Å; G223-S225 PolarHBondContact O-N 2.96Å
224K96.9Very high95.8Very high19 Ų1956.2 Ų56.28%0.08332%0.315CS..  trans-81.4114.9177-63.3170.6179.4-70.60110.2Y220 A221 T222 G278 H280 Y281 K282 N308 Y356Y220-K224 WeakPolarHBondContact O-CD 3.29Å; Y220-K224 WeakPolarHBondContact O-CE 3.38Å; A221-K224 WeakPolarHBondContact O-CB 3.17Å; A221-K224 PolarHBondContact O-N 3.07Å; A221-K224 VanDerWaalsContact O-N 3.09Å; T222-K224 VanDerWaalsContact C-N 3.29Å; T222-K224 PolarHBondContact O-N 3.07Å; K224-G278 PolarHBondContact NZ-O 2.56Å; K224-H280 CarbonylContact C-O 3.57Å; K224-H280 WeakPolarHBondContact CA-O 3.47Å; K224-Y281 WeakPolarHBondContact CD-O 3.43Å; K224-Y281 WeakPolarHBondContact CE-O 3.38Å; K224-Y281 PolarHBondContact NZ-O 3.27Å; K224-K282 HydrophobicContact CB-CG 3.9Å; K224-K282 HydrophobicContact CD-CG 4.02Å; K224-N308 WeakPolarHBondContact CE-O 3.44Å; K224-N308 PolarHBondContact NZ-O 3.42Å; K224-Y356 WeakPolarHBondContact CD-OH 3.04Å
225S95.5Very high95.8Very high99 Ų9949.4 Ų49.469%0.69229%0.29SS*.  trans-105.5-8.5-178.858.70000114.3G223 H280G223-S225 PolarHBondContact O-N 2.96Å; S225-H280 PolarHBondContact N-O 3.37Å; S225-H280 VanDerWaalsContact N-O 3.14Å
226K97.3Very high95.8Very high76 Ų7653 Ų5333%0.3330%0.304SS..EExtended strand (participates in β ladder)trans-114.4149.8-178.4-60.1-173.1170.8-161.10111D255 H280 Y281 K282K226-D255 IonicContact NZ-OD2 2.83Å; K226-D255 PolarHBondContact NZ-OD2 3.17Å; K226-H280 WeakPolarHBondContact CA-O 3.42Å; K226-H280 WeakPolarHBondContact CB-O 3.46Å; K226-H280 HydrophobicContact CD-CB 4.35Å; K226-H280 HydrophobicContact CG-CB 4.47Å; K226-H280 PolarHBondContact N-O 3.41Å; K226-Y281 HydrophobicContact CB-CD1 3.46Å; K226-Y281 VanDerWaalsContact CB-CD1 3.46Å; K226-Y281 HydrophobicContact CB-CE1 3.55Å; K226-Y281 HydrophobicContact CB-CG 4.05Å; K226-Y281 HydrophobicContact CD-CD1 4.15Å; K226-Y281 HydrophobicContact CD-CE1 3.43Å; K226-Y281 VanDerWaalsContact CD-CE1 3.43Å; K226-Y281 HydrophobicContact CD-CE2 3.94Å; K226-Y281 WeakPolarHBondContact CD-OH 3.49Å; K226-Y281 HydrophobicContact CG-CD1 4.48Å; K226-Y281 HydrophobicContact CG-CE1 4.16Å; K226-Y281 PolarHBondContact NZ-OH 3.24Å; K226-Y281 VanDerWaalsContact NZ-OH 3.15Å; K226-Y281 CarbonylContact O-C 3.58Å; K226-Y281 WeakPolarHBondContact O-CA 3.45Å; K226-K282 PolarHBondContact O-N 3.13Å
227M96.3Very high95.7Very high46 Ų4653.3 Ų53.323%0.22731%0.306CS..EExtended strand (participates in β ladder)trans-85.4-76.2-178.5-64.9179.4-67.400111.4I252 Q253 K282 F283M227-I252 HydrophobicContact CB-CD1 4.18Å; M227-I252 HydrophobicContact CB-CG1 4.43Å; M227-I252 HydrophobicContact CE-CD1 4.17Å; M227-I252 HydrophobicContact CE-CG1 3.54Å; M227-I252 HydrophobicContact SD-CD1 3.74Å; M227-I252 HydrophobicContact SD-CG1 3.8Å; M227-Q253 HydrophobicContact CE-CB 4.28Å; M227-K282 PolarHBondContact O-N 3.31Å; M227-F283 HydrophobicContact CB-CD2 4.29Å; M227-F283 WeakPolarHBondContact O-CD2 3.48Å; M227-F283 PolarHBondContact O-N 3.18Å
228V98.6Very high95.6Very high2 Ų255.5 Ų55.51%0.01230%0.302CS..EExtended strand (participates in β ladder)trans-118.3131.6-165.9-168.80000111.6I252 I254 D255 F283 L285 L346V228-I252 HydrophobicContact CG2-CD1 3.74Å; V228-I252 HydrophobicContact CG2-CG1 4.15Å; V228-I252 HydrophobicContact CG2-CG2 4.42Å; V228-I254 HydrophobicContact CB-CG1 4.17Å; V228-I254 HydrophobicContact CB-CG2 4.41Å; V228-I254 HydrophobicContact CG1-CG1 4.2Å; V228-I254 HydrophobicContact CG1-CG2 4.01Å; V228-D255 PolarHBondContact O-N 3.45Å; V228-F283 WeakPolarHBondContact CA-O 3.46Å; V228-F283 HydrophobicContact CG2-CB 4.22Å; V228-F283 HydrophobicContact CG2-CD2 4.17Å; V228-L285 HydrophobicContact CG1-CD1 4.17Å; V228-L285 HydrophobicContact CG1-CD2 3.57Å; V228-L285 HydrophobicContact CG1-CG 3.61Å; V228-L346 HydrophobicContact CG2-CD1 3.93Å
229A98Very high95.6Very high0 Ų049.3 Ų49.30%028%0.28CS..EExtended strand (participates in β ladder)trans-118.1152.1167.500000111.9F231 D255 L277 Y281 F283 Y284 L285A229-F231 HydrophobicContact CB-CE2 4.35Å; A229-D255 WeakPolarHBondContact CA-O 3.25Å; A229-L277 HydrophobicContact CB-CD2 3.23Å; A229-Y281 HydrophobicContact CB-CD1 3.55Å; A229-Y281 HydrophobicContact CB-CD2 4.04Å; A229-Y281 HydrophobicContact CB-CE1 3.67Å; A229-Y281 HydrophobicContact CB-CE2 4.11Å; A229-Y281 HydrophobicContact CB-CG 3.72Å; A229-F283 PolarHBondContact N-O 3.13Å; A229-Y284 WeakPolarHBondContact O-CA 3.48Å; A229-L285 PolarHBondContact O-N 2.98Å
230W97.7Very high95.6Very high4 Ų448.1 Ų48.12%0.01528%0.275CS..EExtended strand (participates in β ladder)trans-142.1125.8172.6-17333.7000111.9V232 R241 M242 V245 I254 D255 I256 Y257 L285W230-V232 HydrophobicContact CD2-CB 3.97Å; W230-V232 HydrophobicContact CD2-CG1 3.73Å; W230-V232 HydrophobicContact CE3-CB 4.32Å; W230-V232 HydrophobicContact CE3-CG1 3.65Å; W230-V232 HydrophobicContact CG-CG1 4.37Å; W230-V232 HydrophobicContact CH2-CB 4.32Å; W230-V232 HydrophobicContact CH2-CG1 4.2Å; W230-V232 HydrophobicContact CH2-CG2 4.03Å; W230-V232 HydrophobicContact CZ2-CB 3.92Å; W230-V232 HydrophobicContact CZ2-CG1 4.23Å; W230-V232 HydrophobicContact CZ2-CG2 3.75Å; W230-V232 HydrophobicContact CZ3-CB 4.48Å; W230-V232 HydrophobicContact CZ3-CG1 3.89Å; W230-R241 HydrophobicContact CH2-CG 4.34Å; W230-R241 HydrophobicContact CZ2-CB 4.32Å; W230-R241 HydrophobicContact CZ2-CG 4.08Å; W230-M242 HydrophobicContact CH2-CE 4.41Å; W230-M242 HydrophobicContact CH2-SD 3.55Å; W230-M242 VanDerWaalsContact CH2-SD 3.55Å; W230-M242 HydrophobicContact CZ2-SD 4.49Å; W230-M242 HydrophobicContact CZ3-CE 4.48Å; W230-M242 HydrophobicContact CZ3-SD 4.18Å; W230-V245 HydrophobicContact CD2-CG2 4.12Å; W230-V245 HydrophobicContact CE3-CB 4.05Å; W230-V245 HydrophobicContact CE3-CG1 3.63Å; W230-V245 HydrophobicContact CE3-CG2 3.75Å; W230-V245 HydrophobicContact CH2-CB 4.12Å; W230-V245 HydrophobicContact CH2-CG2 3.74Å; W230-V245 HydrophobicContact CZ2-CG2 4.14Å; W230-V245 HydrophobicContact CZ3-CB 3.63Å; W230-V245 HydrophobicContact CZ3-CG1 3.6Å; W230-V245 HydrophobicContact CZ3-CG2 3.56Å; W230-I254 HydrophobicContact CB-CG2 4.2Å; W230-D255 PolarHBondContact N-O 2.72Å; W230-I256 HydrophobicContact CE3-CD1 4.2Å; W230-I256 HydrophobicContact CE3-CG1 4.26Å; W230-I256 HydrophobicContact CE3-CG2 3.85Å; W230-I256 CarbonylContact O-C 3.54Å; W230-I256 WeakPolarHBondContact O-CA 3.35Å; W230-Y257 PolarHBondContact O-N 3.29Å; W230-L285 HydrophobicContact CB-CB 4.01Å; W230-L285 HydrophobicContact CB-CD1 3.99Å; W230-L285 HydrophobicContact CB-CG 4.16Å; W230-L285 HydrophobicContact CD2-CD1 4.41Å; W230-L285 HydrophobicContact CG-CB 3.84Å; W230-L285 HydrophobicContact CG-CD1 4.09Å; W230-L285 HydrophobicContact CG-CG 4.39Å
231F94.7Very high95.6Very high30 Ų3047.2 Ų47.213%0.13227%0.271CS..EExtended strand (participates in β ladder)trans-105.7114.5178.8-76.5-120.2000108.8A229 Y257 C265 C273 F274 L277 Y284A229-F231 HydrophobicContact CB-CE2 4.35Å; F231-Y257 HydrophobicContact CD1-CG 4.49Å; F231-Y257 AromaticContact CD2-CD2 3.99Å; F231-Y257 HydrophobicContact CD2-CD2 3.99Å; F231-Y257 HydrophobicContact CD2-CG 4.29Å; F231-Y257 HydrophobicContact CE1-CD1 4.46Å; F231-Y257 HydrophobicContact CE1-CG 4.11Å; F231-Y257 AromaticContact CE2-CD2 3.47Å; F231-Y257 HydrophobicContact CE2-CD2 3.47Å; F231-Y257 VanDerWaalsContact CE2-CD2 3.47Å; F231-Y257 AromaticContact CE2-CE2 3.98Å; F231-Y257 HydrophobicContact CE2-CE2 3.98Å; F231-Y257 AromaticContact CE2-CG 3.86Å; F231-Y257 HydrophobicContact CE2-CG 3.86Å; F231-Y257 HydrophobicContact CZ-CD1 4.2Å; F231-Y257 AromaticContact CZ-CD2 3.81Å; F231-Y257 HydrophobicContact CZ-CD2 3.81Å; F231-Y257 HydrophobicContact CZ-CE2 4.24Å; F231-Y257 AromaticContact CZ-CG 3.79Å; F231-Y257 HydrophobicContact CZ-CG 3.79Å; F231-C265 HydrophobicContact CD1-CB 4.31Å; F231-C265 HydrophobicContact CE1-CB 3.86Å; F231-C273 HydrophobicContact CE1-CB 3.66Å; F231-C273 HydrophobicContact CZ-CB 4.07Å; F231-F274 HydrophobicContact CB-CE1 4.21Å; F231-F274 HydrophobicContact CD1-CD1 4.18Å; F231-F274 AromaticContact CD1-CE1 3.65Å; F231-F274 HydrophobicContact CD1-CE1 3.65Å; F231-F274 HydrophobicContact CD1-CZ 4.28Å; F231-F274 HydrophobicContact CD2-CE1 4.46Å; F231-F274 HydrophobicContact CE1-CD1 4.14Å; F231-F274 HydrophobicContact CE1-CE1 4.09Å; F231-F274 AromaticContact CG-CE1 3.85Å; F231-F274 HydrophobicContact CG-CE1 3.85Å; F231-F274 HydrophobicContact CZ-CD1 4.46Å; F231-L277 HydrophobicContact CD2-CD1 4.22Å; F231-L277 HydrophobicContact CD2-CD2 4.08Å; F231-L277 HydrophobicContact CD2-CG 4.44Å; F231-L277 HydrophobicContact CE2-CD1 3.96Å; F231-L277 HydrophobicContact CE2-CD2 3.37Å; F231-L277 HydrophobicContact CE2-CG 3.71Å; F231-L277 HydrophobicContact CZ-CD1 4.45Å; F231-L277 HydrophobicContact CZ-CD2 4.16Å; F231-L277 HydrophobicContact CZ-CG 4.09Å; F231-Y284 HydrophobicContact CB-CE2 4.1Å; F231-Y284 HydrophobicContact CD2-CD2 4.38Å; F231-Y284 AromaticContact CD2-CE2 3.72Å; F231-Y284 HydrophobicContact CD2-CE2 3.72Å; F231-Y284 HydrophobicContact CG-CE2 4.21Å
232V94.7Very high95.6Very high7 Ų749.6 Ų49.64%0.04228%0.282CS..  trans-146.5126.1-169.557.60000112.3W230 I256 Y257 G258 T259 C260W230-V232 HydrophobicContact CD2-CB 3.97Å; W230-V232 HydrophobicContact CD2-CG1 3.73Å; W230-V232 HydrophobicContact CE3-CB 4.32Å; W230-V232 HydrophobicContact CE3-CG1 3.65Å; W230-V232 HydrophobicContact CG-CG1 4.37Å; W230-V232 HydrophobicContact CH2-CB 4.32Å; W230-V232 HydrophobicContact CH2-CG1 4.2Å; W230-V232 HydrophobicContact CH2-CG2 4.03Å; W230-V232 HydrophobicContact CZ2-CB 3.92Å; W230-V232 HydrophobicContact CZ2-CG1 4.23Å; W230-V232 HydrophobicContact CZ2-CG2 3.75Å; W230-V232 HydrophobicContact CZ3-CB 4.48Å; W230-V232 HydrophobicContact CZ3-CG1 3.89Å; V232-I256 HydrophobicContact CG1-CG2 3.51Å; V232-Y257 PolarHBondContact N-O 2.78Å; V232-G258 CarbonylContact O-C 3.42Å; V232-G258 WeakPolarHBondContact O-CA 3.44Å; V232-T259 PolarHBondContact O-N 3.01Å; V232-C260 HydrophobicContact CG1-CB 3.85Å; V232-C260 HydrophobicContact CG2-CB 4.22Å
233S91.7Very high95.6Very high71 Ų7146.7 Ų46.750%0.49726%0.262SS..  trans-116.3-26.4176.655.70000113.6C235 T259S233-C235 PolarHBondContact O-N 3.44Å; S233-T259 VanDerWaalsContact CA-OG1 3.26Å; S233-T259 WeakPolarHBondContact CA-OG1 3.37Å; S233-T259 PolarHBondContact O-OG1 2.85Å
234N92.9Very high95.8Very high46 Ų4643.8 Ų43.825%0.24623%0.232CC..  trans-90.295.6177.4172.322.9000111.3Q236 R241 N289N234-Q236 VanDerWaalsContact C-N 3.27Å; N234-Q236 PolarHBondContact O-N 3.32Å; N234-Q236 PolarHBondContact OD1-N 3.34Å; N234-Q236 PolarHBondContact OD1-O 3.12Å; N234-R241 PolarHBondContact O-NH2 3.1Å; N234-N289 PolarHBondContact ND2-OD1 3Å; N234-N289 VanDerWaalsContact ND2-OD1 3.15Å
235C95.7Very high95.8Very high41 Ų4143 Ų4328%0.27723%0.229SC..SBendtrans-81.1-6.4-174.7-41.80000113.9S233 P237 C260S233-C235 PolarHBondContact O-N 3.44Å; C235-P237 WeakPolarHBondContact O-CD 3.46Å; C235-C260 WeakPolarHBondContact CA-SG 3.34Å; C235-C260 HydrophobicContact CB-CB 3.87Å; C235-C260 WeakPolarHBondContact CB-SG 3.45Å; C235-C260 PolarHBondContact N-SG 3Å; C235-C260 WeakPolarHBondContact SG-CA 3.44Å; C235-C260 WeakPolarHBondContact SG-CB 3.45Å; C235-C260 CovalentContact SG-SG 2.03Å; C235-C260 PolarHBondContact SG-SG 2.98Å
236Q94.7Very high95.9Very high164 Ų16445.8 Ų45.877%0.76622%0.224SC*.SBendtrans-122.658.4178.6-59.1-60-30.800110.5N234N234-Q236 VanDerWaalsContact C-N 3.27Å; N234-Q236 PolarHBondContact O-N 3.32Å; N234-Q236 PolarHBondContact OD1-N 3.34Å; N234-Q236 PolarHBondContact OD1-O 3.12Å
237P94.4Very high95.9Very high23 Ų2344.1 Ų44.115%0.14922%0.217CC..  trans-68.5162.8178.434.4-37.7000111.1C235 R241 M242C235-P237 WeakPolarHBondContact O-CD 3.46Å; P237-R241 HydrophobicContact CB-CG 4Å; P237-R241 VanDerWaalsContact CB-NE 3.28Å; P237-R241 HydrophobicContact CG-CG 3.51Å; P237-M242 HydrophobicContact CG-CG 3.75Å
238K93.2Very high96.1Very high156 Ų15641.9 Ų41.968%0.67821%0.206SC*.SBendtrans-85.8-15.1171.2-61.4-61.2-173.3-176.80112.3L169 N289L169-K238 HydrophobicContact CB-CG 4.23Å; L169-K238 HydrophobicContact CD1-CB 3.54Å; L169-K238 HydrophobicContact CD1-CG 3.84Å; K238-N289 PolarHBondContact N-O 3.25Å
239S95Very high96Very high9 Ų944.1 Ų44.16%0.06322%0.222CC..SBendtrans-82159.5170.567.60000112.2R241 E288 N289S239-R241 PolarHBondContact O-N 3.09Å; S239-R241 WeakPolarHBondContact OG-CD 3.37Å; S239-R241 WeakPolarHBondContact OG-CG 3.25Å; S239-E288 WeakPolarHBondContact CB-O 3.21Å; S239-E288 PolarHBondContact OG-O 3.19Å; S239-N289 PolarHBondContact N-O 3.25Å; S239-N289 PolarHBondContact OG-O 3.04Å
240P95.7Very high96Very high23 Ų2352.5 Ų52.515%0.14925%0.254CS..THydrogen-bonded Turntrans-75.813177.932.5-36.8000114M242 I243 Y244 L291 M314 I410 F414P240-M242 VanDerWaalsContact C-N 3.29Å; P240-M242 PolarHBondContact O-N 3.03Å; P240-M242 VanDerWaalsContact O-N 3.15Å; P240-I243 PolarHBondContact O-N 3.45Å; P240-Y244 PolarHBondContact O-N 2.76Å; P240-L291 HydrophobicContact CG-CD1 4.34Å; P240-M314 HydrophobicContact CG-SD 4.18Å; P240-I410 HydrophobicContact CG-CD1 3.78Å; P240-I410 HydrophobicContact CG-CG1 4.09Å; P240-F414 HydrophobicContact CB-CE1 4.32Å
241R96.9Very high96.1Very high5 Ų556.4 Ų56.42%0.01927%0.269CS..Hα-helixtrans-56.6-35.5-170.268.3-178-165.7161.1-6.8114.3W230 N234 P237 S239 Y244 V245 F287 E288 N289 M314W230-R241 HydrophobicContact CH2-CG 4.34Å; W230-R241 HydrophobicContact CZ2-CB 4.32Å; W230-R241 HydrophobicContact CZ2-CG 4.08Å; N234-R241 PolarHBondContact O-NH2 3.1Å; P237-R241 HydrophobicContact CB-CG 4Å; P237-R241 VanDerWaalsContact CB-NE 3.28Å; P237-R241 HydrophobicContact CG-CG 3.51Å; S239-R241 PolarHBondContact O-N 3.09Å; S239-R241 WeakPolarHBondContact OG-CD 3.37Å; S239-R241 WeakPolarHBondContact OG-CG 3.25Å; R241-Y244 PolarHBondContact O-N 2.99Å; R241-V245 WeakPolarHBondContact O-CB 3.41Å; R241-V245 VanDerWaalsContact O-CG2 3.29Å; R241-V245 WeakPolarHBondContact O-CG2 3.42Å; R241-V245 PolarHBondContact O-N 3.2Å; R241-F287 HydrophobicContact CB-CB 3.9Å; R241-F287 HydrophobicContact CB-CD2 3.92Å; R241-F287 HydrophobicContact CB-CG 4.35Å; R241-F287 PolarHBondContact NH1-O 3.37Å; R241-F287 VanDerWaalsContact NH1-O 3.13Å; R241-E288 WeakPolarHBondContact CD-O 3.29Å; R241-N289 PolarHBondContact NH1-OD1 2.98Å; R241-N289 PolarHBondContact NH2-OD1 3.2Å; R241-M314 HydrophobicContact CB-SD 3.92Å
242M97.1Very high96.3Very high54 Ų5455.3 Ų55.327%0.26626%0.264SS..Hα-helixtrans-66.4-42.1178.5-63.1-55.2-59.600111.5W230 P237 P240 R246 C260W230-M242 HydrophobicContact CH2-CE 4.41Å; W230-M242 HydrophobicContact CH2-SD 3.55Å; W230-M242 VanDerWaalsContact CH2-SD 3.55Å; W230-M242 HydrophobicContact CZ2-SD 4.49Å; W230-M242 HydrophobicContact CZ3-CE 4.48Å; W230-M242 HydrophobicContact CZ3-SD 4.18Å; P237-M242 HydrophobicContact CG-CG 3.75Å; P240-M242 VanDerWaalsContact C-N 3.29Å; P240-M242 PolarHBondContact O-N 3.03Å; P240-M242 VanDerWaalsContact O-N 3.15Å; M242-R246 WeakPolarHBondContact O-CB 3.43Å; M242-R246 PolarHBondContact O-N 3.16Å; M242-R246 VanDerWaalsContact O-N 3.1Å; M242-C260 HydrophobicContact CE-CB 4.1Å
243I96.2Very high96.4Very high42 Ų4261 Ų6122%0.21529%0.291CS..Hα-helixtrans-69.1-43.6178.8-63.9172.3000109.7P240 R246 E247 W412 F414P240-I243 PolarHBondContact O-N 3.45Å; I243-R246 PolarHBondContact O-N 3.49Å; I243-E247 PolarHBondContact O-N 3.29Å; I243-E247 VanDerWaalsContact O-N 3.08Å; I243-W412 HydrophobicContact CG2-CH2 4.24Å; I243-W412 HydrophobicContact CG2-CZ3 4.19Å; I243-F414 HydrophobicContact CD1-CE2 4.31Å; I243-F414 HydrophobicContact CG2-CB 4.48Å; I243-F414 HydrophobicContact CG2-CG 4.36Å
244Y98.1Very high96.7Very high2 Ų258.6 Ų58.61%0.00827%0.272CS..Hα-helixtrans-62.6-45.3179.2-164.9-79.5000112.3P240 R241 E247 L248 F287 M314 V333 P339 L342 I410 W412P240-Y244 PolarHBondContact O-N 2.76Å; R241-Y244 PolarHBondContact O-N 2.99Å; Y244-E247 PolarHBondContact O-N 3.3Å; Y244-L248 HydrophobicContact CE1-CD2 4.38Å; Y244-L248 WeakPolarHBondContact O-CB 3.45Å; Y244-L248 PolarHBondContact O-N 2.9Å; Y244-F287 AromaticContact CD1-CE2 3.78Å; Y244-F287 HydrophobicContact CD1-CE2 3.78Å; Y244-F287 AromaticContact CD1-CZ 3.9Å; Y244-F287 HydrophobicContact CD1-CZ 3.9Å; Y244-F287 HydrophobicContact CE1-CE2 4.42Å; Y244-F287 HydrophobicContact CE1-CZ 4.08Å; Y244-M314 VanDerWaalsContact CB-CE 3.49Å; Y244-M314 HydrophobicContact CD1-CE 3.8Å; Y244-M314 HydrophobicContact CD2-CE 3.39Å; Y244-M314 HydrophobicContact CE1-CE 4.38Å; Y244-M314 HydrophobicContact CE2-CE 4.04Å; Y244-M314 HydrophobicContact CG-CE 3.27Å; Y244-V333 HydrophobicContact CD1-CG1 4.48Å; Y244-V333 HydrophobicContact CE1-CB 4.41Å; Y244-V333 HydrophobicContact CE1-CG1 3.72Å; Y244-V333 HydrophobicContact CE2-CB 4.11Å; Y244-V333 HydrophobicContact CE2-CG1 4.25Å; Y244-P339 HydrophobicContact CD1-CG 4.47Å; Y244-P339 HydrophobicContact CD2-CG 4.13Å; Y244-P339 HydrophobicContact CE1-CB 4.29Å; Y244-P339 HydrophobicContact CE1-CG 4.18Å; Y244-P339 HydrophobicContact CE2-CG 3.82Å; Y244-P339 HydrophobicContact CG-CG 4.43Å; Y244-L342 HydrophobicContact CE1-CD2 3.83Å; Y244-L342 WeakPolarHBondContact OH-CD2 3.49Å; Y244-I410 HydrophobicContact CD2-CD1 3.64Å; Y244-I410 HydrophobicContact CE2-CD1 4.09Å; Y244-W412 HydrophobicContact CD2-CD2 4.28Å; Y244-W412 AromaticContact CD2-CE3 3.5Å; Y244-W412 HydrophobicContact CD2-CE3 3.5Å; Y244-W412 VanDerWaalsContact CD2-CE3 3.5Å; Y244-W412 AromaticContact CD2-CZ3 3.93Å; Y244-W412 HydrophobicContact CD2-CZ3 3.93Å; Y244-W412 HydrophobicContact CE2-CB 4.23Å; Y244-W412 HydrophobicContact CE2-CD2 4.36Å; Y244-W412 HydrophobicContact CE2-CE3 4Å; Y244-W412 HydrophobicContact CE2-CG 4.49Å; Y244-W412 HydrophobicContact CG-CE3 4.43Å; Y244-W412 HydrophobicContact CG-CZ3 4.45Å
245V98.1Very high97Very high3 Ų357.3 Ų57.32%0.01827%0.265CS..Hα-helixtrans-65.8-39.2177.8173.50000111.6W230 R241 E247 L248 S249 I254 I256 L285 F287W230-V245 HydrophobicContact CD2-CG2 4.12Å; W230-V245 HydrophobicContact CE3-CB 4.05Å; W230-V245 HydrophobicContact CE3-CG1 3.63Å; W230-V245 HydrophobicContact CE3-CG2 3.75Å; W230-V245 HydrophobicContact CH2-CB 4.12Å; W230-V245 HydrophobicContact CH2-CG2 3.74Å; W230-V245 HydrophobicContact CZ2-CG2 4.14Å; W230-V245 HydrophobicContact CZ3-CB 3.63Å; W230-V245 HydrophobicContact CZ3-CG1 3.6Å; W230-V245 HydrophobicContact CZ3-CG2 3.56Å; R241-V245 WeakPolarHBondContact O-CB 3.41Å; R241-V245 VanDerWaalsContact O-CG2 3.29Å; R241-V245 WeakPolarHBondContact O-CG2 3.42Å; R241-V245 PolarHBondContact O-N 3.2Å; V245-E247 VanDerWaalsContact C-N 3.27Å; V245-E247 PolarHBondContact O-N 3.1Å; V245-L248 PolarHBondContact O-N 3.12Å; V245-S249 WeakPolarHBondContact O-CB 3.15Å; V245-S249 PolarHBondContact O-N 2.85Å; V245-S249 PolarHBondContact O-OG 3.44Å; V245-I254 HydrophobicContact CG1-CD1 3.99Å; V245-I256 HydrophobicContact CG1-CD1 3.98Å; V245-L285 HydrophobicContact CG1-CD1 4.45Å; V245-L285 HydrophobicContact CG2-CD1 3.63Å; V245-F287 HydrophobicContact CG2-CD2 3.62Å; V245-F287 HydrophobicContact CG2-CE2 3.45Å; V245-F287 VanDerWaalsContact CG2-CE2 3.45Å
246R97.2Very high97Very high158 Ų15856.9 Ų56.960%0.59626%0.26SS*.Hα-helixtrans-57.4-43.7174.8-177.617865.6-133.12.5111.3M242 I243M242-R246 WeakPolarHBondContact O-CB 3.43Å; M242-R246 PolarHBondContact O-N 3.16Å; M242-R246 VanDerWaalsContact O-N 3.1Å; I243-R246 PolarHBondContact O-N 3.49Å
247E98Very high97.1Very high40 Ų4050.4 Ų50.419%0.18723%0.229CC..Hα-helixtrans-71.6-44.2178.1-171.260.1-165.200112.1I243 Y244 V245 S249 R250 Y251 P339 W412I243-E247 PolarHBondContact O-N 3.29Å; I243-E247 VanDerWaalsContact O-N 3.08Å; Y244-E247 PolarHBondContact O-N 3.3Å; V245-E247 VanDerWaalsContact C-N 3.27Å; V245-E247 PolarHBondContact O-N 3.1Å; E247-S249 PolarHBondContact O-N 2.02Å; E247-R250 WeakPolarHBondContact O-CB 3.25Å; E247-R250 WeakPolarHBondContact O-CG 3.38Å; E247-R250 PolarHBondContact O-N 3.4Å; E247-R250 VanDerWaalsContact O-N 3.13Å; E247-R250 IonicContact OE1-CZ 3.94Å; E247-R250 IonicContact OE1-NH1 3.04Å; E247-R250 PolarHBondContact OE1-NH1 3.11Å; E247-R250 WeakPolarHBondContact OE2-CD 3.3Å; E247-R250 IonicContact OE2-CZ 2.73Å; E247-R250 IonicContact OE2-NH1 3.85Å; E247-R250 PolarHBondContact OE2-NH1 3.49Å; E247-Y251 HydrophobicContact CG-CE2 4.21Å; E247-Y251 VanDerWaalsContact O-CD2 3.24Å; E247-Y251 WeakPolarHBondContact O-CD2 3.44Å; E247-Y251 WeakPolarHBondContact O-CE2 3.36Å; E247-Y251 PolarHBondContact OE1-OH 2.71Å; E247-P339 HydrophobicContact CB-CB 4.38Å; E247-P339 HydrophobicContact CB-CG 4.13Å; E247-P339 HydrophobicContact CG-CB 4.13Å; E247-P339 HydrophobicContact CG-CG 3.91Å; E247-W412 HydrophobicContact CB-CH2 3.83Å; E247-W412 HydrophobicContact CB-CZ2 4.2Å; E247-W412 HydrophobicContact CG-CH2 3.99Å; E247-W412 HydrophobicContact CG-CZ2 3.83Å
248L98.6Very high97Very high0 Ų050.4 Ų50.40%023%0.233CC..Hα-helixtrans-57.9-38.1176.9-173.862.2000112.1Y244 V245 R250 Y251 I252 I254 L285 P339 L342 A343Y244-L248 HydrophobicContact CE1-CD2 4.38Å; Y244-L248 WeakPolarHBondContact O-CB 3.45Å; Y244-L248 PolarHBondContact O-N 2.9Å; V245-L248 PolarHBondContact O-N 3.12Å; L248-R250 PolarHBondContact O-N 2.93Å; L248-R250 VanDerWaalsContact O-N 3.09Å; L248-Y251 PolarHBondContact O-N 2.74Å; L248-I252 HydrophobicContact CD1-CG2 3.95Å; L248-I252 HydrophobicContact CG-CG2 3.85Å; L248-I252 PolarHBondContact O-N 2.95Å; L248-I254 HydrophobicContact CB-CD1 4.01Å; L248-I254 HydrophobicContact CD2-CD1 3.8Å; L248-I254 HydrophobicContact CG-CD1 3.79Å; L248-L285 HydrophobicContact CD2-CD1 4.42Å; L248-L285 HydrophobicContact CD2-CD2 4.31Å; L248-P339 HydrophobicContact CB-CB 4.09Å; L248-P339 HydrophobicContact CD1-CB 4.11Å; L248-P339 WeakPolarHBondContact CD1-O 3.37Å; L248-L342 HydrophobicContact CD1-CB 4.43Å; L248-L342 HydrophobicContact CD1-CD2 4.1Å; L248-L342 HydrophobicContact CD1-CG 4.24Å; L248-L342 HydrophobicContact CD2-CD2 4.14Å; L248-A343 HydrophobicContact CD1-CB 3.94Å
249S98.2Very high97Very high49 Ų4948.2 Ų48.234%0.34323%0.233SC..THydrogen-bonded Turntrans-61.4-18-179.7-59.80000113.8V245 E247 Y251 I252 I254V245-S249 WeakPolarHBondContact O-CB 3.15Å; V245-S249 PolarHBondContact O-N 2.85Å; V245-S249 PolarHBondContact O-OG 3.44Å; E247-S249 PolarHBondContact O-N 2.02Å; S249-Y251 VanDerWaalsContact C-N 3.26Å; S249-I252 WeakPolarHBondContact CA-O 3.21Å; S249-I254 WeakPolarHBondContact OG-CD1 2.97Å
250R98.3Very high97Very high175 Ų17549.2 Ų49.266%0.6624%0.239SC*.THydrogen-bonded Turntrans-73.2-22.1175.1-58.7173.169.6-175.61.6112.4E247 L248E247-R250 WeakPolarHBondContact O-CB 3.25Å; E247-R250 WeakPolarHBondContact O-CG 3.38Å; E247-R250 PolarHBondContact O-N 3.4Å; E247-R250 VanDerWaalsContact O-N 3.13Å; E247-R250 IonicContact OE1-CZ 3.94Å; E247-R250 IonicContact OE1-NH1 3.04Å; E247-R250 PolarHBondContact OE1-NH1 3.11Å; E247-R250 WeakPolarHBondContact OE2-CD 3.3Å; E247-R250 IonicContact OE2-CZ 2.73Å; E247-R250 IonicContact OE2-NH1 3.85Å; E247-R250 PolarHBondContact OE2-NH1 3.49Å; L248-R250 PolarHBondContact O-N 2.93Å; L248-R250 VanDerWaalsContact O-N 3.09Å
251Y98.6Very high96.9Very high86 Ų8649.5 Ų49.534%0.33725%0.246SC..THydrogen-bonded Turntrans-112.4-23.5-171.2-55.3-73.8000112.8E247 L248 S249 A340 A343 K347E247-Y251 HydrophobicContact CG-CE2 4.21Å; E247-Y251 VanDerWaalsContact O-CD2 3.24Å; E247-Y251 WeakPolarHBondContact O-CD2 3.44Å; E247-Y251 WeakPolarHBondContact O-CE2 3.36Å; E247-Y251 PolarHBondContact OE1-OH 2.71Å; L248-Y251 PolarHBondContact O-N 2.74Å; S249-Y251 VanDerWaalsContact C-N 3.26Å; Y251-A340 HydrophobicContact CD1-CB 3.93Å; Y251-A340 HydrophobicContact CD2-CB 3.95Å; Y251-A340 HydrophobicContact CE1-CB 3.78Å; Y251-A340 HydrophobicContact CE2-CB 3.81Å; Y251-A340 HydrophobicContact CG-CB 4.01Å; Y251-A343 VanDerWaalsContact CB-CB 3.43Å; Y251-K347 WeakPolarHBondContact O-CE 3.41Å; Y251-K347 PolarHBondContact O-NZ 2.82Å
252I98.6Very high96.8Very high7 Ų755.7 Ų55.74%0.03629%0.285CS..SBendtrans-147142.8-179.9-167.9166.1000109.9M227 V228 L248 S249 I254 A343 L346 K347M227-I252 HydrophobicContact CB-CD1 4.18Å; M227-I252 HydrophobicContact CB-CG1 4.43Å; M227-I252 HydrophobicContact CE-CD1 4.17Å; M227-I252 HydrophobicContact CE-CG1 3.54Å; M227-I252 HydrophobicContact SD-CD1 3.74Å; M227-I252 HydrophobicContact SD-CG1 3.8Å; V228-I252 HydrophobicContact CG2-CD1 3.74Å; V228-I252 HydrophobicContact CG2-CG1 4.15Å; V228-I252 HydrophobicContact CG2-CG2 4.42Å; L248-I252 HydrophobicContact CD1-CG2 3.95Å; L248-I252 HydrophobicContact CG-CG2 3.85Å; L248-I252 PolarHBondContact O-N 2.95Å; S249-I252 WeakPolarHBondContact CA-O 3.21Å; I252-I254 HydrophobicContact CG2-CD1 4.5Å; I252-I254 HydrophobicContact CG2-CG1 4.23Å; I252-I254 PolarHBondContact O-N 2.59Å; I252-A343 HydrophobicContact CB-CB 4Å; I252-A343 HydrophobicContact CG2-CB 3.97Å; I252-L346 HydrophobicContact CD1-CB 3.72Å; I252-L346 HydrophobicContact CD1-CD1 4.11Å; I252-K347 HydrophobicContact CD1-CG 4.41Å
253Q97.7Very high96.8Very high128 Ų12855.9 Ų55.960%0.59829%0.286SS*.  trans-66.5132.5175.2-179.4-178.9-20.400110.3M227 D255M227-Q253 HydrophobicContact CE-CB 4.28Å; Q253-D255 PolarHBondContact NE2-OD1 3.41Å
254I98.5Very high96.5Very high19 Ų1959.3 Ų59.310%0.09731%0.31CS..EExtended strand (participates in β ladder)trans-128.7118.6177.6-51.5176.7000108.5V228 W230 V245 L248 S249 I252 I256 L285V228-I254 HydrophobicContact CB-CG1 4.17Å; V228-I254 HydrophobicContact CB-CG2 4.41Å; V228-I254 HydrophobicContact CG1-CG1 4.2Å; V228-I254 HydrophobicContact CG1-CG2 4.01Å; W230-I254 HydrophobicContact CB-CG2 4.2Å; V245-I254 HydrophobicContact CG1-CD1 3.99Å; L248-I254 HydrophobicContact CB-CD1 4.01Å; L248-I254 HydrophobicContact CD2-CD1 3.8Å; L248-I254 HydrophobicContact CG-CD1 3.79Å; S249-I254 WeakPolarHBondContact OG-CD1 2.97Å; I252-I254 HydrophobicContact CG2-CD1 4.5Å; I252-I254 HydrophobicContact CG2-CG1 4.23Å; I252-I254 PolarHBondContact O-N 2.59Å; I254-I256 HydrophobicContact CB-CG1 4.47Å; I254-I256 HydrophobicContact CG2-CG1 3.91Å; I254-I256 PolarHBondContact O-N 3.13Å; I254-L285 HydrophobicContact CD1-CD1 4.27Å; I254-L285 HydrophobicContact CG2-CD1 4.14Å
255D97.6Very high96.1Very high20 Ų2060.3 Ų60.311%0.10732%0.317CS..EExtended strand (participates in β ladder)trans-86.1110.2174.9-76.44.7000108.7K226 V228 A229 W230 Q253 Y257 L263 Y281K226-D255 IonicContact NZ-OD2 2.83Å; K226-D255 PolarHBondContact NZ-OD2 3.17Å; V228-D255 PolarHBondContact O-N 3.45Å; A229-D255 WeakPolarHBondContact CA-O 3.25Å; W230-D255 PolarHBondContact N-O 2.72Å; Q253-D255 PolarHBondContact NE2-OD1 3.41Å; D255-Y257 HydrophobicContact CB-CE2 4.05Å; D255-L263 HydrophobicContact CB-CD1 3.58Å; D255-Y281 HydrophobicContact CB-CE1 3.76Å; D255-Y281 WeakPolarHBondContact CB-OH 3.31Å; D255-Y281 PolarHBondContact OD2-OH 3.13Å
256I97.3Very high95.5Very high32 Ų3263 Ų6316%0.16433%0.334CS..EExtended strand (participates in β ladder)trans-102.6114.4-173.2-50.8177.3000110W230 V232 V245 I254 G261 T262 L263W230-I256 HydrophobicContact CE3-CD1 4.2Å; W230-I256 HydrophobicContact CE3-CG1 4.26Å; W230-I256 HydrophobicContact CE3-CG2 3.85Å; W230-I256 CarbonylContact O-C 3.54Å; W230-I256 WeakPolarHBondContact O-CA 3.35Å; V232-I256 HydrophobicContact CG1-CG2 3.51Å; V245-I256 HydrophobicContact CG1-CD1 3.98Å; I254-I256 HydrophobicContact CB-CG1 4.47Å; I254-I256 HydrophobicContact CG2-CG1 3.91Å; I254-I256 PolarHBondContact O-N 3.13Å; I256-G261 WeakPolarHBondContact O-CA 3.2Å; I256-T262 PolarHBondContact O-N 3.39Å; I256-L263 WeakPolarHBondContact O-CB 3.28Å; I256-L263 PolarHBondContact O-N 3.46Å; I256-L263 VanDerWaalsContact O-N 3.09Å
257Y95.3Very high94.6Very high28 Ų2863 Ų6311%0.1133%0.334CS..EExtended strand (participates in β ladder)trans-100.3143.3178.7-66.9-98.8000111.8W230 F231 V232 D255 L263 C265 Y281W230-Y257 PolarHBondContact O-N 3.29Å; F231-Y257 HydrophobicContact CD1-CG 4.49Å; F231-Y257 AromaticContact CD2-CD2 3.99Å; F231-Y257 HydrophobicContact CD2-CD2 3.99Å; F231-Y257 HydrophobicContact CD2-CG 4.29Å; F231-Y257 HydrophobicContact CE1-CD1 4.46Å; F231-Y257 HydrophobicContact CE1-CG 4.11Å; F231-Y257 AromaticContact CE2-CD2 3.47Å; F231-Y257 HydrophobicContact CE2-CD2 3.47Å; F231-Y257 VanDerWaalsContact CE2-CD2 3.47Å; F231-Y257 AromaticContact CE2-CE2 3.98Å; F231-Y257 HydrophobicContact CE2-CE2 3.98Å; F231-Y257 AromaticContact CE2-CG 3.86Å; F231-Y257 HydrophobicContact CE2-CG 3.86Å; F231-Y257 HydrophobicContact CZ-CD1 4.2Å; F231-Y257 AromaticContact CZ-CD2 3.81Å; F231-Y257 HydrophobicContact CZ-CD2 3.81Å; F231-Y257 HydrophobicContact CZ-CE2 4.24Å; F231-Y257 AromaticContact CZ-CG 3.79Å; F231-Y257 HydrophobicContact CZ-CG 3.79Å; V232-Y257 PolarHBondContact N-O 2.78Å; D255-Y257 HydrophobicContact CB-CE2 4.05Å; Y257-L263 CarbonylContact C-O 3.45Å; Y257-L263 WeakPolarHBondContact CA-O 3.26Å; Y257-L263 HydrophobicContact CD1-CB 3.54Å; Y257-L263 HydrophobicContact CD1-CD1 4.41Å; Y257-L263 HydrophobicContact CD2-CB 4.33Å; Y257-L263 HydrophobicContact CD2-CD1 4.11Å; Y257-L263 HydrophobicContact CE1-CB 3.72Å; Y257-L263 HydrophobicContact CE1-CD1 3.99Å; Y257-L263 HydrophobicContact CE1-CG 4.46Å; Y257-L263 HydrophobicContact CE2-CB 4.47Å; Y257-L263 HydrophobicContact CE2-CD1 3.65Å; Y257-L263 HydrophobicContact CG-CB 3.88Å; Y257-L263 HydrophobicContact CG-CD1 4.47Å; Y257-C265 HydrophobicContact CD1-CB 4.23Å; Y257-Y281 HydrophobicContact CE2-CE2 4.49Å; Y257-Y281 WeakPolarHBondContact CE2-OH 3.15Å; Y257-Y281 PolarHBondContact OH-OH 3.42Å
258G93.2Very high93.9Very high23 Ų2368.9 Ų68.924%0.23736%0.362CS..SBendtrans102.6-171.7176.300000112.8V232 C260 G261 L263V232-G258 CarbonylContact O-C 3.42Å; V232-G258 WeakPolarHBondContact O-CA 3.44Å; G258-C260 PolarHBondContact O-N 2.92Å; G258-G261 PolarHBondContact O-N 3.45Å; G258-L263 PolarHBondContact N-O 2.69Å
259T92.9Very high93.2Very high110 Ų11071.3 Ų71.368%0.67538%0.376SS*.THydrogen-bonded Turntrans-67.4-10.3-168.851.60000114.8V232 S233V232-T259 PolarHBondContact O-N 3.01Å; S233-T259 VanDerWaalsContact CA-OG1 3.26Å; S233-T259 WeakPolarHBondContact CA-OG1 3.37Å; S233-T259 PolarHBondContact O-OG1 2.85Å
260C95.5Very high92.6Very high30 Ų3071.9 Ų71.920%0.20337%0.373CS..THydrogen-bonded Turntrans-104.21.1176.8-38.10000113.3V232 C235 M242 G258V232-C260 HydrophobicContact CG1-CB 3.85Å; V232-C260 HydrophobicContact CG2-CB 4.22Å; C235-C260 WeakPolarHBondContact CA-SG 3.34Å; C235-C260 HydrophobicContact CB-CB 3.87Å; C235-C260 WeakPolarHBondContact CB-SG 3.45Å; C235-C260 PolarHBondContact N-SG 3Å; C235-C260 WeakPolarHBondContact SG-CA 3.44Å; C235-C260 WeakPolarHBondContact SG-CB 3.45Å; C235-C260 CovalentContact SG-SG 2.03Å; C235-C260 PolarHBondContact SG-SG 2.98Å; M242-C260 HydrophobicContact CE-CB 4.1Å; G258-C260 PolarHBondContact O-N 2.92Å
261G94.2Very high91.9Very high28 Ų2868.8 Ų68.829%0.28937%0.37SS..SBendtrans-123-173.2178.900000112.1I256 G258I256-G261 WeakPolarHBondContact O-CA 3.2Å; G258-G261 PolarHBondContact O-N 3.45Å
262T94.7Very high91.4Very high135 Ų13570.8 Ų70.883%0.82838%0.382SS*.SBendtrans-98.9-16.9178.853.20000112.6I256I256-T262 PolarHBondContact O-N 3.39Å
263L95.1Very high90.9Very high58 Ų5871 Ų7130%0.30438%0.384SS..BIsolated β-bridgetrans-94146.8178.6-56.4175.1000110.5D255 I256 Y257 G258D255-L263 HydrophobicContact CB-CD1 3.58Å; I256-L263 WeakPolarHBondContact O-CB 3.28Å; I256-L263 PolarHBondContact O-N 3.46Å; I256-L263 VanDerWaalsContact O-N 3.09Å; Y257-L263 CarbonylContact C-O 3.45Å; Y257-L263 WeakPolarHBondContact CA-O 3.26Å; Y257-L263 HydrophobicContact CD1-CB 3.54Å; Y257-L263 HydrophobicContact CD1-CD1 4.41Å; Y257-L263 HydrophobicContact CD2-CB 4.33Å; Y257-L263 HydrophobicContact CD2-CD1 4.11Å; Y257-L263 HydrophobicContact CE1-CB 3.72Å; Y257-L263 HydrophobicContact CE1-CD1 3.99Å; Y257-L263 HydrophobicContact CE1-CG 4.46Å; Y257-L263 HydrophobicContact CE2-CB 4.47Å; Y257-L263 HydrophobicContact CE2-CD1 3.65Å; Y257-L263 HydrophobicContact CG-CB 3.88Å; Y257-L263 HydrophobicContact CG-CD1 4.47Å; G258-L263 PolarHBondContact N-O 2.69Å
264T91.5Very high90.3Very high115 Ų11565.1 Ų65.171%0.70636%0.357SS*.  trans-105.4135.3-177.3-45.90000110.3P266T264-P266 HydrophobicContact CG2-CG 4.24Å
265C89Confident89.8Confident23 Ų2366.2 Ų66.216%0.15537%0.366CS..  trans-132.2100.4161.71750000108F231 Y257 C273F231-C265 HydrophobicContact CD1-CB 4.31Å; F231-C265 HydrophobicContact CE1-CB 3.86Å; Y257-C265 HydrophobicContact CD1-CB 4.23Å; C265-C273 VanDerWaalsContact CA-SG 3.52Å; C265-C273 HydrophobicContact CB-CB 3.83Å; C265-C273 WeakPolarHBondContact CB-SG 3.35Å; C265-C273 WeakPolarHBondContact SG-CB 3.43Å; C265-C273 CovalentContact SG-SG 2.03Å; C265-C273 PolarHBondContact SG-SG 2.98Å
266P85.6Confident89.2Confident58 Ų5868.6 Ų68.638%0.37738%0.378SS..  trans-64.1145.6176.9-17.730.3000111.1T264 E268 V269 E270T264-P266 HydrophobicContact CG2-CG 4.24Å; P266-E268 VanDerWaalsContact CB-OE2 3.3Å; P266-E268 WeakPolarHBondContact CB-OE2 3.46Å; P266-E268 PolarHBondContact O-N 2.95Å; P266-V269 HydrophobicContact CB-CG2 4.02Å; P266-V269 HydrophobicContact CG-CG2 4.05Å; P266-V269 CarbonylContact O-C 3.59Å; P266-V269 PolarHBondContact O-N 3.13Å; P266-E270 PolarHBondContact O-N 3.39Å
267R78.5Confident88.8Confident158 Ų15867.1 Ų67.160%0.59637%0.371SS*.G310 helixtrans-63.8-29.5-177.3-73.8-173.7176.4177.4-0.1112.2K32 V269 E270K32-R267 PolarHBondContact O-NH1 3.29Å; R267-V269 PolarHBondContact O-N 3.25Å; R267-E270 WeakPolarHBondContact O-CB 3.45Å; R267-E270 PolarHBondContact O-N 2.7Å
268E83.2Confident88.5Confident165 Ų16566.7 Ų66.777%0.77138%0.375SS*.G310 helixtrans-65.9-23.2-178.7-59.872.1-155.500112.4P266P266-E268 VanDerWaalsContact CB-OE2 3.3Å; P266-E268 WeakPolarHBondContact CB-OE2 3.46Å; P266-E268 PolarHBondContact O-N 2.95Å
269V84.8Confident88.5Confident50 Ų5071.7 Ų71.730%0.30339%0.39SS..G310 helixtrans-124.324-179.4-63.80000111.6P266 R267 D271 Q272 C273P266-V269 HydrophobicContact CB-CG2 4.02Å; P266-V269 HydrophobicContact CG-CG2 4.05Å; P266-V269 CarbonylContact O-C 3.59Å; P266-V269 PolarHBondContact O-N 3.13Å; R267-V269 PolarHBondContact O-N 3.25Å; V269-D271 VanDerWaalsContact C-N 3.32Å; V269-D271 PolarHBondContact O-N 3.48Å; V269-Q272 HydrophobicContact CB-CB 4.34Å; V269-Q272 HydrophobicContact CB-CG 4.43Å; V269-Q272 WeakPolarHBondContact O-CA 3.25Å; V269-Q272 VanDerWaalsContact O-CB 3.32Å; V269-Q272 WeakPolarHBondContact O-CB 3.16Å; V269-Q272 PolarHBondContact O-N 3.15Å; V269-C273 PolarHBondContact O-N 3.38Å; V269-C273 VanDerWaalsContact O-N 3.09Å; V269-C273 PolarHBondContact O-SG 3.26Å
270E83.6Confident88.6Confident62 Ų6269.8 Ų69.829%0.2937%0.374SS..Hα-helixtrans-54.9-46-174.5-177-177.6-109.700112.3P266 R267 Q272 C273 F274 R302P266-E270 PolarHBondContact O-N 3.39Å; R267-E270 WeakPolarHBondContact O-CB 3.45Å; R267-E270 PolarHBondContact O-N 2.7Å; E270-Q272 PolarHBondContact O-N 3.37Å; E270-C273 WeakPolarHBondContact O-CB 3.29Å; E270-C273 PolarHBondContact O-N 2.92Å; E270-F274 VanDerWaalsContact CD-CE2 3.45Å; E270-F274 HydrophobicContact CG-CD2 3.65Å; E270-F274 HydrophobicContact CG-CE2 3.28Å; E270-F274 HydrophobicContact CG-CZ 4.09Å; E270-F274 PolarHBondContact O-N 3.47Å; E270-R302 IonicContact OE2-CZ 3.79Å; E270-R302 IonicContact OE2-NH1 3.34Å; E270-R302 PolarHBondContact OE2-NH1 2.91Å; E270-R302 IonicContact OE2-NH2 2.85Å; E270-R302 PolarHBondContact OE2-NH2 3.37Å
271D84.7Confident88.8Confident109 Ų10968.5 Ų68.558%0.58337%0.365SS*.Hα-helixtrans-60.8-33.7178.4-65-33.9000112.1V269 F274 S275 R302V269-D271 VanDerWaalsContact C-N 3.32Å; V269-D271 PolarHBondContact O-N 3.48Å; D271-F274 PolarHBondContact O-N 2.95Å; D271-S275 PolarHBondContact O-N 3.29Å; D271-R302 IonicContact OD1-CZ 2.87Å; D271-R302 IonicContact OD1-NH2 3.63Å; D271-R302 PolarHBondContact OD1-NH2 2.95Å
272Q87.2Confident89Confident128 Ų12868 Ų6860%0.59836%0.355SS*.Hα-helixtrans-68.8-41.9175.8-59.21733.500110.4V269 E270 S275 L276V269-Q272 HydrophobicContact CB-CB 4.34Å; V269-Q272 HydrophobicContact CB-CG 4.43Å; V269-Q272 WeakPolarHBondContact O-CA 3.25Å; V269-Q272 VanDerWaalsContact O-CB 3.32Å; V269-Q272 WeakPolarHBondContact O-CB 3.16Å; V269-Q272 PolarHBondContact O-N 3.15Å; E270-Q272 PolarHBondContact O-N 3.37Å; Q272-S275 WeakPolarHBondContact O-CB 3.29Å; Q272-S275 PolarHBondContact O-N 3.14Å; Q272-S275 PolarHBondContact O-OG 3.45Å; Q272-L276 PolarHBondContact O-N 2.83Å
273C88.7Confident89.2Confident12 Ų1261.6 Ų61.68%0.08132%0.315CS..Hα-helixtrans-63.7-42.2175.1-51.30000112.1F231 C265 V269 E270 S275 L276 L277F231-C273 HydrophobicContact CE1-CB 3.66Å; F231-C273 HydrophobicContact CZ-CB 4.07Å; C265-C273 VanDerWaalsContact CA-SG 3.52Å; C265-C273 HydrophobicContact CB-CB 3.83Å; C265-C273 WeakPolarHBondContact CB-SG 3.35Å; C265-C273 WeakPolarHBondContact SG-CB 3.43Å; C265-C273 CovalentContact SG-SG 2.03Å; C265-C273 PolarHBondContact SG-SG 2.98Å; V269-C273 PolarHBondContact O-N 3.38Å; V269-C273 VanDerWaalsContact O-N 3.09Å; V269-C273 PolarHBondContact O-SG 3.26Å; E270-C273 WeakPolarHBondContact O-CB 3.29Å; E270-C273 PolarHBondContact O-N 2.92Å; C273-S275 VanDerWaalsContact C-N 3.26Å; C273-S275 PolarHBondContact O-N 3.26Å; C273-L276 WeakPolarHBondContact O-CA 3.25Å; C273-L276 VanDerWaalsContact O-CB 3.24Å; C273-L276 WeakPolarHBondContact O-CB 3.15Å; C273-L276 PolarHBondContact O-N 3.26Å; C273-L277 PolarHBondContact O-N 2.84Å
274F85.9Confident89.3Confident5 Ų558.9 Ų58.92%0.02230%0.301CS..Hα-helixtrans-64.6-33.6176.8-73.4-45.5000111.4F231 E270 D271 L276 L277 G278 N303 Q307F231-F274 HydrophobicContact CB-CE1 4.21Å; F231-F274 HydrophobicContact CD1-CD1 4.18Å; F231-F274 AromaticContact CD1-CE1 3.65Å; F231-F274 HydrophobicContact CD1-CE1 3.65Å; F231-F274 HydrophobicContact CD1-CZ 4.28Å; F231-F274 HydrophobicContact CD2-CE1 4.46Å; F231-F274 HydrophobicContact CE1-CD1 4.14Å; F231-F274 HydrophobicContact CE1-CE1 4.09Å; F231-F274 AromaticContact CG-CE1 3.85Å; F231-F274 HydrophobicContact CG-CE1 3.85Å; F231-F274 HydrophobicContact CZ-CD1 4.46Å; E270-F274 VanDerWaalsContact CD-CE2 3.45Å; E270-F274 HydrophobicContact CG-CD2 3.65Å; E270-F274 HydrophobicContact CG-CE2 3.28Å; E270-F274 HydrophobicContact CG-CZ 4.09Å; E270-F274 PolarHBondContact O-N 3.47Å; D271-F274 PolarHBondContact O-N 2.95Å; F274-L276 PolarHBondContact O-N 2.83Å; F274-L277 HydrophobicContact CD1-CD1 3.56Å; F274-L277 HydrophobicContact CD1-CG 4.41Å; F274-L277 HydrophobicContact CE1-CD1 4.19Å; F274-L277 WeakPolarHBondContact O-CA 3.29Å; F274-L277 WeakPolarHBondContact O-CB 3.3Å; F274-L277 PolarHBondContact O-N 2.66Å; F274-G278 PolarHBondContact O-N 2.62Å; F274-N303 HydrophobicContact CD1-CB 4.42Å; F274-N303 HydrophobicContact CE1-CB 3.98Å; F274-N303 HydrophobicContact CZ-CB 4.35Å; F274-N303 VanDerWaalsContact CZ-CG 3.48Å; F274-N303 WeakPolarHBondContact CZ-ND2 3.41Å; F274-N303 WeakPolarHBondContact CZ-OD1 3.41Å; F274-Q307 HydrophobicContact CB-CG 4.27Å; F274-Q307 PolarHBondContact O-OE1 3.05Å
275S86.8Confident89.7Confident42 Ų4253.4 Ų53.429%0.29427%0.267SS..Hα-helixtrans-61.8-28.8171.386.60000113.2D271 Q272 C273 L277 G278 K279D271-S275 PolarHBondContact O-N 3.29Å; Q272-S275 WeakPolarHBondContact O-CB 3.29Å; Q272-S275 PolarHBondContact O-N 3.14Å; Q272-S275 PolarHBondContact O-OG 3.45Å; C273-S275 VanDerWaalsContact C-N 3.26Å; C273-S275 PolarHBondContact O-N 3.26Å; S275-L277 VanDerWaalsContact C-N 3.31Å; S275-G278 PolarHBondContact O-N 2.89Å; S275-K279 WeakPolarHBondContact O-CG 3.39Å; S275-K279 PolarHBondContact O-N 3.34Å
276L86.6Confident90.1Very high69 Ų6952.4 Ų52.436%0.36126%0.26SS..Hα-helixtrans-68.6-29.9173.5-58.8174.4000112Q272 C273 F274 K279 H280Q272-L276 PolarHBondContact O-N 2.83Å; C273-L276 WeakPolarHBondContact O-CA 3.25Å; C273-L276 VanDerWaalsContact O-CB 3.24Å; C273-L276 WeakPolarHBondContact O-CB 3.15Å; C273-L276 PolarHBondContact O-N 3.26Å; F274-L276 PolarHBondContact O-N 2.83Å; L276-K279 PolarHBondContact O-N 2.92Å; L276-H280 PolarHBondContact O-CD2 2.77Å; L276-H280 PolarHBondContact O-N 3.37Å
277L88.3Confident90.7Very high1 Ų149.6 Ų49.61%0.00524%0.242CC..Hα-helixtrans-56.9-53.3172-70-179.7000110.4A229 F231 C273 F274 S275 K279 H280 Y281 Y284 N303 Q307 V309A229-L277 HydrophobicContact CB-CD2 3.23Å; F231-L277 HydrophobicContact CD2-CD1 4.22Å; F231-L277 HydrophobicContact CD2-CD2 4.08Å; F231-L277 HydrophobicContact CD2-CG 4.44Å; F231-L277 HydrophobicContact CE2-CD1 3.96Å; F231-L277 HydrophobicContact CE2-CD2 3.37Å; F231-L277 HydrophobicContact CE2-CG 3.71Å; F231-L277 HydrophobicContact CZ-CD1 4.45Å; F231-L277 HydrophobicContact CZ-CD2 4.16Å; F231-L277 HydrophobicContact CZ-CG 4.09Å; C273-L277 PolarHBondContact O-N 2.84Å; F274-L277 HydrophobicContact CD1-CD1 3.56Å; F274-L277 HydrophobicContact CD1-CG 4.41Å; F274-L277 HydrophobicContact CE1-CD1 4.19Å; F274-L277 WeakPolarHBondContact O-CA 3.29Å; F274-L277 WeakPolarHBondContact O-CB 3.3Å; F274-L277 PolarHBondContact O-N 2.66Å; S275-L277 VanDerWaalsContact C-N 3.31Å; L277-K279 VanDerWaalsContact C-N 3.26Å; L277-K279 PolarHBondContact O-N 3.33Å; L277-H280 PolarHBondContact O-N 3.39Å; L277-Y281 HydrophobicContact CD2-CD2 3.97Å; L277-Y281 HydrophobicContact CD2-CE2 4.41Å; L277-Y281 HydrophobicContact CD2-CG 4.35Å; L277-Y281 PolarHBondContact O-N 2.78Å; L277-Y284 HydrophobicContact CD1-CD2 3.47Å; L277-Y284 VanDerWaalsContact CD1-CD2 3.47Å; L277-Y284 HydrophobicContact CD1-CE2 3.7Å; L277-Y284 HydrophobicContact CD1-CG 4.28Å; L277-Y284 HydrophobicContact CD2-CD2 3.95Å; L277-Y284 HydrophobicContact CG-CD2 4.39Å; L277-N303 WeakPolarHBondContact CD1-O 3.42Å; L277-Q307 HydrophobicContact CB-CB 4.37Å; L277-V309 HydrophobicContact CB-CG2 4.08Å
278G88.8Confident91.6Very high20 Ų2042.3 Ų42.321%0.20622%0.215CC..Hα-helixtrans-63.6-30.2-178.900000114.1K224 F274 S275 Q307K224-G278 PolarHBondContact NZ-O 2.56Å; F274-G278 PolarHBondContact O-N 2.62Å; S275-G278 PolarHBondContact O-N 2.89Å; G278-Q307 WeakPolarHBondContact CA-O 3.06Å
279K93.1Very high92.2Very high127 Ų12736.4 Ų36.455%0.55219%0.189SC*.Hα-helixtrans-80.2-38.6179.5-70.6174.4-177.8177.10113.7S275 L276 L277S275-K279 WeakPolarHBondContact O-CG 3.39Å; S275-K279 PolarHBondContact O-N 3.34Å; L276-K279 PolarHBondContact O-N 2.92Å; L277-K279 VanDerWaalsContact C-N 3.26Å; L277-K279 PolarHBondContact O-N 3.33Å
280H95.9Very high92.8Very high70 Ų7034.3 Ų34.332%0.32418%0.177SC..Hα-helixtrans-115.7-27.5-165.9-61.1-59.1000114.8K224 S225 K226 L276 L277K224-H280 CarbonylContact C-O 3.57Å; K224-H280 WeakPolarHBondContact CA-O 3.47Å; S225-H280 PolarHBondContact N-O 3.37Å; S225-H280 VanDerWaalsContact N-O 3.14Å; K226-H280 WeakPolarHBondContact CA-O 3.42Å; K226-H280 WeakPolarHBondContact CB-O 3.46Å; K226-H280 HydrophobicContact CD-CB 4.35Å; K226-H280 HydrophobicContact CG-CB 4.47Å; K226-H280 PolarHBondContact N-O 3.41Å; L276-H280 PolarHBondContact O-CD2 2.77Å; L276-H280 PolarHBondContact O-N 3.37Å; L277-H280 PolarHBondContact O-N 3.39Å
281Y98.1Very high93.4Very high3 Ų332.2 Ų32.21%0.01217%0.167CC..EExtended strand (participates in β ladder)trans-106.3143.5-170.2-64.2-92000112.3K224 K226 A229 D255 Y257 L277 V309K224-Y281 WeakPolarHBondContact CD-O 3.43Å; K224-Y281 WeakPolarHBondContact CE-O 3.38Å; K224-Y281 PolarHBondContact NZ-O 3.27Å; K226-Y281 HydrophobicContact CB-CD1 3.46Å; K226-Y281 VanDerWaalsContact CB-CD1 3.46Å; K226-Y281 HydrophobicContact CB-CE1 3.55Å; K226-Y281 HydrophobicContact CB-CG 4.05Å; K226-Y281 HydrophobicContact CD-CD1 4.15Å; K226-Y281 HydrophobicContact CD-CE1 3.43Å; K226-Y281 VanDerWaalsContact CD-CE1 3.43Å; K226-Y281 HydrophobicContact CD-CE2 3.94Å; K226-Y281 WeakPolarHBondContact CD-OH 3.49Å; K226-Y281 HydrophobicContact CG-CD1 4.48Å; K226-Y281 HydrophobicContact CG-CE1 4.16Å; K226-Y281 PolarHBondContact NZ-OH 3.24Å; K226-Y281 VanDerWaalsContact NZ-OH 3.15Å; K226-Y281 CarbonylContact O-C 3.58Å; K226-Y281 WeakPolarHBondContact O-CA 3.45Å; A229-Y281 HydrophobicContact CB-CD1 3.55Å; A229-Y281 HydrophobicContact CB-CD2 4.04Å; A229-Y281 HydrophobicContact CB-CE1 3.67Å; A229-Y281 HydrophobicContact CB-CE2 4.11Å; A229-Y281 HydrophobicContact CB-CG 3.72Å; D255-Y281 HydrophobicContact CB-CE1 3.76Å; D255-Y281 WeakPolarHBondContact CB-OH 3.31Å; D255-Y281 PolarHBondContact OD2-OH 3.13Å; Y257-Y281 HydrophobicContact CE2-CE2 4.49Å; Y257-Y281 WeakPolarHBondContact CE2-OH 3.15Å; Y257-Y281 PolarHBondContact OH-OH 3.42Å; L277-Y281 HydrophobicContact CD2-CD2 3.97Å; L277-Y281 HydrophobicContact CD2-CE2 4.41Å; L277-Y281 HydrophobicContact CD2-CG 4.35Å; L277-Y281 PolarHBondContact O-N 2.78Å; Y281-V309 WeakPolarHBondContact O-CG1 3.48Å
282K98.3Very high94Very high18 Ų1827 Ų278%0.07814%0.139CC..EExtended strand (participates in β ladder)trans-86.4-34.4173.4-74.7-174.3-178.4172.60112.9K224 K226 M227 V309 I310 D350 Y356K224-K282 HydrophobicContact CB-CG 3.9Å; K224-K282 HydrophobicContact CD-CG 4.02Å; K226-K282 PolarHBondContact O-N 3.13Å; M227-K282 PolarHBondContact O-N 3.31Å; K282-V309 VanDerWaalsContact O-CG1 3.27Å; K282-V309 WeakPolarHBondContact O-CG1 3.43Å; K282-I310 PolarHBondContact O-N 3.33Å; K282-D350 HydrophobicContact CD-CB 4.42Å; K282-D350 VanDerWaalsContact CD-OD1 3.28Å; K282-D350 WeakPolarHBondContact CD-OD1 3.28Å; K282-D350 WeakPolarHBondContact CE-OD1 3.47Å; K282-D350 PolarHBondContact NZ-O 3.15Å; K282-D350 IonicContact NZ-OD1 3.69Å; K282-D350 PolarHBondContact NZ-OD1 2.77Å; K282-Y356 HydrophobicContact CB-CE2 3.61Å; K282-Y356 HydrophobicContact CD-CD2 4.39Å; K282-Y356 HydrophobicContact CD-CE2 4.12Å; K282-Y356 HydrophobicContact CG-CE2 3.82Å; K282-Y356 PolarHBondContact O-OH 2.9Å
283F98.8Very high94.4Very high0 Ų021.6 Ų21.60%012%0.117CC..EExtended strand (participates in β ladder)trans-129.8143.2-174.5-45.5-72.8000111.7M227 V228 A229 I310 V312 I331 L346 L349 Y356M227-F283 HydrophobicContact CB-CD2 4.29Å; M227-F283 WeakPolarHBondContact O-CD2 3.48Å; M227-F283 PolarHBondContact O-N 3.18Å; V228-F283 WeakPolarHBondContact CA-O 3.46Å; V228-F283 HydrophobicContact CG2-CB 4.22Å; V228-F283 HydrophobicContact CG2-CD2 4.17Å; A229-F283 PolarHBondContact N-O 3.13Å; F283-I310 WeakPolarHBondContact CA-O 3.12Å; F283-I310 HydrophobicContact CD1-CB 3.98Å; F283-I310 HydrophobicContact CD1-CD1 4.39Å; F283-I310 HydrophobicContact CD1-CG2 4.43Å; F283-I310 HydrophobicContact CE1-CB 4.46Å; F283-I310 HydrophobicContact CE1-CD1 4.02Å; F283-V312 HydrophobicContact CB-CG2 4.14Å; F283-I331 HydrophobicContact CD1-CD1 4.4Å; F283-I331 HydrophobicContact CE1-CD1 4.36Å; F283-L346 HydrophobicContact CD1-CD2 3.68Å; F283-L346 HydrophobicContact CD2-CB 4.21Å; F283-L346 HydrophobicContact CD2-CD1 4.49Å; F283-L346 HydrophobicContact CD2-CD2 4.27Å; F283-L346 HydrophobicContact CE1-CD2 3.81Å; F283-L346 HydrophobicContact CE2-CB 3.95Å; F283-L346 HydrophobicContact CE2-CD2 4.38Å; F283-L346 WeakPolarHBondContact CE2-O 3.49Å; F283-L346 HydrophobicContact CG-CD2 3.94Å; F283-L346 HydrophobicContact CZ-CB 4.23Å; F283-L346 HydrophobicContact CZ-CD2 4.18Å; F283-L346 WeakPolarHBondContact CZ-O 3.33Å; F283-L349 HydrophobicContact CE1-CB 4.1Å; F283-L349 HydrophobicContact CE1-CD1 3.95Å; F283-L349 HydrophobicContact CZ-CB 3.78Å; F283-L349 HydrophobicContact CZ-CD1 4.43Å; F283-Y356 HydrophobicContact CE1-CD2 4.26Å; F283-Y356 HydrophobicContact CE1-CE2 4.18Å; F283-Y356 HydrophobicContact CZ-CD2 4.34Å; F283-Y356 HydrophobicContact CZ-CE2 4.41Å
284Y98.5Very high94.7Very high2 Ų221.9 Ų21.91%0.00812%0.117CC..EExtended strand (participates in β ladder)trans-126.1132.1174.3174.7-96.1000110.3A229 F231 L277 S286 K299 N303 A304 I310 P311 V312A229-Y284 WeakPolarHBondContact O-CA 3.48Å; F231-Y284 HydrophobicContact CB-CE2 4.1Å; F231-Y284 HydrophobicContact CD2-CD2 4.38Å; F231-Y284 AromaticContact CD2-CE2 3.72Å; F231-Y284 HydrophobicContact CD2-CE2 3.72Å; F231-Y284 HydrophobicContact CG-CE2 4.21Å; L277-Y284 HydrophobicContact CD1-CD2 3.47Å; L277-Y284 VanDerWaalsContact CD1-CD2 3.47Å; L277-Y284 HydrophobicContact CD1-CE2 3.7Å; L277-Y284 HydrophobicContact CD1-CG 4.28Å; L277-Y284 HydrophobicContact CD2-CD2 3.95Å; L277-Y284 HydrophobicContact CG-CD2 4.39Å; Y284-S286 VanDerWaalsContact CD1-OG 3.31Å; Y284-S286 WeakPolarHBondContact CD1-OG 2.91Å; Y284-S286 PolarHBondContact O-N 2.99Å; Y284-K299 WeakPolarHBondContact CE1-O 3.36Å; Y284-N303 HydrophobicContact CD1-CB 4.38Å; Y284-N303 HydrophobicContact CE1-CB 3.66Å; Y284-N303 HydrophobicContact CE2-CB 4.35Å; Y284-N303 PolarHBondContact OH-ND2 3.21Å; Y284-A304 HydrophobicContact CD1-CB 3.88Å; Y284-A304 HydrophobicContact CG-CB 4.42Å; Y284-I310 PolarHBondContact N-O 3.38Å; Y284-P311 CarbonylContact O-C 3.57Å; Y284-P311 WeakPolarHBondContact O-CA 3.49Å; Y284-V312 PolarHBondContact O-N 3.28Å
285L98.8Very high95.2Very high0 Ų022.1 Ų22.10%012%0.118CC..EExtended strand (participates in β ladder)trans-80.198.9176.9-56.7-169.9000110.9V228 A229 W230 V245 L248 I254 F287 V312V228-L285 HydrophobicContact CG1-CD1 4.17Å; V228-L285 HydrophobicContact CG1-CD2 3.57Å; V228-L285 HydrophobicContact CG1-CG 3.61Å; A229-L285 PolarHBondContact O-N 2.98Å; W230-L285 HydrophobicContact CB-CB 4.01Å; W230-L285 HydrophobicContact CB-CD1 3.99Å; W230-L285 HydrophobicContact CB-CG 4.16Å; W230-L285 HydrophobicContact CD2-CD1 4.41Å; W230-L285 HydrophobicContact CG-CB 3.84Å; W230-L285 HydrophobicContact CG-CD1 4.09Å; W230-L285 HydrophobicContact CG-CG 4.39Å; V245-L285 HydrophobicContact CG1-CD1 4.45Å; V245-L285 HydrophobicContact CG2-CD1 3.63Å; L248-L285 HydrophobicContact CD2-CD1 4.42Å; L248-L285 HydrophobicContact CD2-CD2 4.31Å; I254-L285 HydrophobicContact CD1-CD1 4.27Å; I254-L285 HydrophobicContact CG2-CD1 4.14Å; L285-F287 HydrophobicContact CB-CD1 4.13Å; L285-F287 HydrophobicContact CB-CD2 4.36Å; L285-F287 HydrophobicContact CB-CE1 4.21Å; L285-F287 HydrophobicContact CB-CE2 4.44Å; L285-F287 HydrophobicContact CB-CG 4.22Å; L285-F287 HydrophobicContact CB-CZ 4.37Å; L285-F287 HydrophobicContact CD1-CD2 4.38Å; L285-F287 HydrophobicContact CD1-CE2 3.96Å; L285-F287 HydrophobicContact CD1-CZ 4.19Å; L285-F287 HydrophobicContact CD2-CE1 4.17Å; L285-F287 HydrophobicContact CD2-CZ 3.98Å; L285-F287 HydrophobicContact CG-CZ 4.42Å; L285-F287 PolarHBondContact O-N 3.14Å; L285-V312 CarbonylContact C-O 3.58Å; L285-V312 HydrophobicContact CD2-CB 3.73Å; L285-V312 HydrophobicContact CD2-CG1 4.03Å; L285-V312 HydrophobicContact CD2-CG2 4.19Å
286S98.3Very high95.6Very high1 Ų120.9 Ų20.91%0.00711%0.108CC..EExtended strand (participates in β ladder)trans-82.853.5175.5-57.40000111.6Y284 K299 P311 V312Y284-S286 VanDerWaalsContact CD1-OG 3.31Å; Y284-S286 WeakPolarHBondContact CD1-OG 2.91Å; Y284-S286 PolarHBondContact O-N 2.99Å; S286-K299 WeakPolarHBondContact CB-O 3.46Å; S286-K299 PolarHBondContact OG-O 3.06Å; S286-P311 VanDerWaalsContact OG-CB 3.29Å; S286-P311 WeakPolarHBondContact OG-CB 3.14Å; S286-V312 PolarHBondContact N-O 2.7Å
287F98.6Very high96Very high0 Ų017.6 Ų17.60%09%0.091CC..EExtended strand (participates in β ladder)trans-87.8116.8-173.5-68.71.6000112.4R241 Y244 V245 L285 K299 V312 M314 V333R241-F287 HydrophobicContact CB-CB 3.9Å; R241-F287 HydrophobicContact CB-CD2 3.92Å; R241-F287 HydrophobicContact CB-CG 4.35Å; R241-F287 PolarHBondContact NH1-O 3.37Å; R241-F287 VanDerWaalsContact NH1-O 3.13Å; Y244-F287 AromaticContact CD1-CE2 3.78Å; Y244-F287 HydrophobicContact CD1-CE2 3.78Å; Y244-F287 AromaticContact CD1-CZ 3.9Å; Y244-F287 HydrophobicContact CD1-CZ 3.9Å; Y244-F287 HydrophobicContact CE1-CE2 4.42Å; Y244-F287 HydrophobicContact CE1-CZ 4.08Å; V245-F287 HydrophobicContact CG2-CD2 3.62Å; V245-F287 HydrophobicContact CG2-CE2 3.45Å; V245-F287 VanDerWaalsContact CG2-CE2 3.45Å; L285-F287 HydrophobicContact CB-CD1 4.13Å; L285-F287 HydrophobicContact CB-CD2 4.36Å; L285-F287 HydrophobicContact CB-CE1 4.21Å; L285-F287 HydrophobicContact CB-CE2 4.44Å; L285-F287 HydrophobicContact CB-CG 4.22Å; L285-F287 HydrophobicContact CB-CZ 4.37Å; L285-F287 HydrophobicContact CD1-CD2 4.38Å; L285-F287 HydrophobicContact CD1-CE2 3.96Å; L285-F287 HydrophobicContact CD1-CZ 4.19Å; L285-F287 HydrophobicContact CD2-CE1 4.17Å; L285-F287 HydrophobicContact CD2-CZ 3.98Å; L285-F287 HydrophobicContact CG-CZ 4.42Å; L285-F287 PolarHBondContact O-N 3.14Å; F287-K299 WeakPolarHBondContact O-CD 3.45Å; F287-V312 WeakPolarHBondContact CD1-O 3.37Å; F287-V312 HydrophobicContact CE1-CG1 4.09Å; F287-V312 VanDerWaalsContact CE1-O 3.27Å; F287-V312 WeakPolarHBondContact CE1-O 3.15Å; F287-V312 HydrophobicContact CZ-CG1 4.47Å; F287-M314 HydrophobicContact CB-CB 4.26Å; F287-M314 HydrophobicContact CD1-CB 3.42Å; F287-M314 VanDerWaalsContact CD1-CB 3.42Å; F287-M314 HydrophobicContact CD2-CB 4.44Å; F287-M314 HydrophobicContact CD2-CE 4.42Å; F287-M314 HydrophobicContact CD2-SD 4.44Å; F287-M314 HydrophobicContact CE1-CB 3.76Å; F287-M314 HydrophobicContact CE2-CE 4.16Å; F287-M314 HydrophobicContact CG-CB 3.8Å; F287-M314 HydrophobicContact CZ-CB 4.4Å; F287-M314 HydrophobicContact CZ-CE 4.34Å; F287-V333 HydrophobicContact CE1-CG1 3.84Å; F287-V333 HydrophobicContact CZ-CG1 3.85Å
288E97.6Very high96.2Very high5 Ų519 Ų192%0.02310%0.097CC..  trans-73.8155.2-176.4-69.1-6217200114.1S239 R241 S290 Y295 T297 K299 M314S239-E288 WeakPolarHBondContact CB-O 3.21Å; S239-E288 PolarHBondContact OG-O 3.19Å; R241-E288 WeakPolarHBondContact CD-O 3.29Å; E288-S290 PolarHBondContact O-N 3.16Å; E288-Y295 HydrophobicContact CB-CD1 4.17Å; E288-Y295 HydrophobicContact CB-CE1 4.3Å; E288-Y295 HydrophobicContact CG-CD1 4.21Å; E288-Y295 HydrophobicContact CG-CE1 4.44Å; E288-Y295 WeakPolarHBondContact OE2-CE1 3.4Å; E288-T297 VanDerWaalsContact OE1-CB 3.25Å; E288-T297 WeakPolarHBondContact OE1-CB 3.49Å; E288-T297 VanDerWaalsContact OE1-CG2 3.29Å; E288-T297 WeakPolarHBondContact OE1-CG2 3.22Å; E288-T297 PolarHBondContact OE1-N 3.44Å; E288-T297 PolarHBondContact OE1-OG1 3.49Å; E288-T297 WeakPolarHBondContact OE2-CG2 3.32Å; E288-T297 PolarHBondContact OE2-OG1 3.41Å; E288-T297 VanDerWaalsContact OE2-OG1 3.07Å; E288-K299 IonicContact OE2-NZ 3.1Å; E288-K299 PolarHBondContact OE2-NZ 2.82Å; E288-M314 PolarHBondContact N-O 2.78Å
289N95.6Very high96.5Very high40 Ų4018.9 Ų18.921%0.2149%0.091CC..SBendtrans-66.8-26.4-179.9-70.3-48000113.3N234 K238 S239 R241N234-N289 PolarHBondContact ND2-OD1 3Å; N234-N289 VanDerWaalsContact ND2-OD1 3.15Å; K238-N289 PolarHBondContact N-O 3.25Å; S239-N289 PolarHBondContact N-O 3.25Å; S239-N289 PolarHBondContact OG-O 3.04Å; R241-N289 PolarHBondContact NH1-OD1 2.98Å; R241-N289 PolarHBondContact NH2-OD1 3.2Å
290S96Very high96.6Very high7 Ų712.9 Ų12.95%0.0497%0.065CC..SBendtrans-146.2147.2-175.6-57.30000109.8E288 C292E288-S290 PolarHBondContact O-N 3.16Å; S290-C292 WeakPolarHBondContact CB-SG 3.36Å; S290-C292 PolarHBondContact O-N 2.95Å
291L96.7Very high96.5Very high17 Ų179.6 Ų9.69%0.0895%0.05CC..  trans-89.693.7173.5-53.4-176.2000108.6P240 M314 C405 R408 I410P240-L291 HydrophobicContact CG-CD1 4.34Å; L291-M314 HydrophobicContact CD2-CG 4.09Å; L291-C405 WeakPolarHBondContact O-CA 3.06Å; L291-C405 VanDerWaalsContact O-CB 3.29Å; L291-C405 WeakPolarHBondContact O-CB 3.04Å; L291-R408 HydrophobicContact CB-CB 4.12Å; L291-R408 WeakPolarHBondContact O-CB 3.42Å; L291-I410 HydrophobicContact CD1-CG2 4.15Å; L291-I410 HydrophobicContact CD2-CG2 4.44Å
292C97.1Very high96.2Very high0 Ų012.8 Ų12.80%06%0.062CC..  trans-132.1152.3-174.5-52.40000110.7S290 D294 Y295 G404 C405S290-C292 WeakPolarHBondContact CB-SG 3.36Å; S290-C292 PolarHBondContact O-N 2.95Å; C292-D294 PolarHBondContact O-N 3.46Å; C292-Y295 PolarHBondContact O-N 2.83Å; C292-G404 WeakPolarHBondContact CA-O 3.17Å; C292-C405 HydrophobicContact CB-CB 4.04Å; C292-C405 WeakPolarHBondContact CB-SG 3.47Å; C292-C405 WeakPolarHBondContact SG-CB 3.37Å; C292-C405 CovalentContact SG-SG 2.02Å; C292-C405 PolarHBondContact SG-SG 3.17Å
293A96.1Very high95.9Very high15 Ų1512.3 Ų12.312%0.1246%0.06CC..THydrogen-bonded Turntrans-57.2132.117800000110.5Y187 Y295 E320 G404Y187-A293 WeakPolarHBondContact CE2-O 3.49Å; A293-Y295 PolarHBondContact O-N 3.02Å; A293-E320 WeakPolarHBondContact CA-OE1 3.42Å; A293-G404 PolarHBondContact N-O 3.33Å
294D95.3Very high95.8Very high17 Ų1712.3 Ų12.39%0.0916%0.06CC..THydrogen-bonded Turntrans55.86.8179.4-55.5-33.8000116.6Y187 M189 C292 I296 E320 R323Y187-D294 HydrophobicContact CD2-CB 4.35Å; Y187-D294 WeakPolarHBondContact CD2-O 3.29Å; M189-D294 WeakPolarHBondContact CB-OD2 3.31Å; M189-D294 HydrophobicContact CG-CB 4.41Å; M189-D294 PolarHBondContact N-OD2 3.1Å; C292-D294 PolarHBondContact O-N 3.46Å; D294-I296 PolarHBondContact O-N 3.5Å; D294-E320 PolarHBondContact N-OE1 3.45Å; D294-R323 IonicContact OD1-CZ 3.67Å; D294-R323 IonicContact OD1-NH2 3.26Å; D294-R323 PolarHBondContact OD1-NH2 3.11Å
295Y96.8Very high95.6Very high10 Ų1012.5 Ų12.54%0.0396%0.061CC..  trans-78.292-177.8-172.6-115.5000110.8P167 Y187 Y197 E288 C292 A293 T297P167-Y295 VanDerWaalsContact CD-CZ 3.42Å; P167-Y295 WeakPolarHBondContact CD-OH 3.46Å; P167-Y295 HydrophobicContact CG-CD1 3.68Å; P167-Y295 HydrophobicContact CG-CD2 3.87Å; P167-Y295 HydrophobicContact CG-CE1 3.35Å; P167-Y295 HydrophobicContact CG-CE2 3.57Å; P167-Y295 HydrophobicContact CG-CG 3.92Å; Y187-Y295 AromaticContact CD1-CD2 3.8Å; Y187-Y295 HydrophobicContact CD1-CD2 3.8Å; Y187-Y295 HydrophobicContact CD1-CE2 4.23Å; Y187-Y295 HydrophobicContact CD2-CD2 4.12Å; Y187-Y295 AromaticContact CE1-CD2 3.45Å; Y187-Y295 HydrophobicContact CE1-CD2 3.45Å; Y187-Y295 VanDerWaalsContact CE1-CD2 3.45Å; Y187-Y295 AromaticContact CE1-CE2 3.96Å; Y187-Y295 HydrophobicContact CE1-CE2 3.96Å; Y187-Y295 HydrophobicContact CE1-CG 4.47Å; Y187-Y295 AromaticContact CE2-CD2 3.84Å; Y187-Y295 HydrophobicContact CE2-CD2 3.84Å; Y187-Y295 HydrophobicContact CE2-CG 4.25Å; Y187-Y295 HydrophobicContact CG-CD2 4.13Å; Y187-Y295 AromaticContact CZ-CD2 3.49Å; Y187-Y295 VanDerWaalsContact CZ-CD2 3.49Å; Y197-Y295 HydrophobicContact CE2-CD2 4.4Å; Y197-Y295 AromaticContact CE2-CE2 3.84Å; Y197-Y295 HydrophobicContact CE2-CE2 3.84Å; Y197-Y295 PolarHBondContact OH-OH 3.35Å; E288-Y295 HydrophobicContact CB-CD1 4.17Å; E288-Y295 HydrophobicContact CB-CE1 4.3Å; E288-Y295 HydrophobicContact CG-CD1 4.21Å; E288-Y295 HydrophobicContact CG-CE1 4.44Å; E288-Y295 WeakPolarHBondContact OE2-CE1 3.4Å; C292-Y295 PolarHBondContact O-N 2.83Å; A293-Y295 PolarHBondContact O-N 3.02Å; Y295-T297 HydrophobicContact CD1-CG2 4.26Å; Y295-T297 HydrophobicContact CD2-CG2 4.09Å; Y295-T297 HydrophobicContact CE1-CG2 3.71Å; Y295-T297 HydrophobicContact CE2-CG2 3.53Å; Y295-T297 HydrophobicContact CG-CG2 4.44Å
296I95.3Very high95.3Very high16 Ų1615.1 Ų15.18%0.0828%0.08CC..  trans-129.4121.9-179.1-56.6170.7000107.7Y197 D294 L300 F301 A316 C321 V324Y197-I296 WeakPolarHBondContact CD2-O 3.48Å; D294-I296 PolarHBondContact O-N 3.5Å; I296-L300 HydrophobicContact CG2-CB 3.89Å; I296-L300 HydrophobicContact CG2-CD2 3.39Å; I296-L300 HydrophobicContact CG2-CG 4.25Å; I296-F301 HydrophobicContact CG2-CD2 4.36Å; I296-F301 HydrophobicContact CG2-CE2 3.69Å; I296-A316 HydrophobicContact CD1-CB 3.88Å; I296-A316 HydrophobicContact CG1-CB 3.55Å; I296-C321 HydrophobicContact CD1-CB 4.45Å; I296-V324 HydrophobicContact CD1-CG2 3.52Å; I296-V324 HydrophobicContact CG2-CG2 4.4Å
297T94.1Very high95.1Very high0 Ų017 Ų170%09%0.088CC..  trans-119.2-168.2-165.472.30000113.8Y197 E288 Y295 K299 L300 F301Y197-T297 HydrophobicContact CD2-CG2 3.99Å; Y197-T297 HydrophobicContact CE1-CG2 4.25Å; Y197-T297 HydrophobicContact CE2-CG2 3.68Å; Y197-T297 HydrophobicContact CG-CG2 4.39Å; E288-T297 VanDerWaalsContact OE1-CB 3.25Å; E288-T297 WeakPolarHBondContact OE1-CB 3.49Å; E288-T297 VanDerWaalsContact OE1-CG2 3.29Å; E288-T297 WeakPolarHBondContact OE1-CG2 3.22Å; E288-T297 PolarHBondContact OE1-N 3.44Å; E288-T297 PolarHBondContact OE1-OG1 3.49Å; E288-T297 WeakPolarHBondContact OE2-CG2 3.32Å; E288-T297 PolarHBondContact OE2-OG1 3.41Å; E288-T297 VanDerWaalsContact OE2-OG1 3.07Å; Y295-T297 HydrophobicContact CD1-CG2 4.26Å; Y295-T297 HydrophobicContact CD2-CG2 4.09Å; Y295-T297 HydrophobicContact CE1-CG2 3.71Å; Y295-T297 HydrophobicContact CE2-CG2 3.53Å; Y295-T297 HydrophobicContact CG-CG2 4.44Å; T297-K299 PolarHBondContact O-N 3.12Å; T297-K299 PolarHBondContact OG1-N 3.24Å; T297-K299 PolarHBondContact OG1-NZ 3.21Å; T297-L300 PolarHBondContact O-N 3.49Å; T297-L300 VanDerWaalsContact O-N 3.13Å; T297-F301 WeakPolarHBondContact O-CD2 3.38Å
298E92.6Very high95Very high31 Ų3119 Ų1915%0.14510%0.099CC..THydrogen-bonded Turntrans-52-23.2173.576.9-68.5153.200113.6L300 F301 R302 N303E298-L300 VanDerWaalsContact C-N 3.32Å; E298-L300 PolarHBondContact O-N 3.26Å; E298-F301 CarbonylContact O-C 3.46Å; E298-F301 PolarHBondContact O-N 2.97Å; E298-R302 HydrophobicContact CB-CB 4.08Å; E298-R302 PolarHBondContact O-N 3.27Å; E298-N303 PolarHBondContact O-N 2.73Å; E298-N303 PolarHBondContact O-OD1 2.86Å
299K95Very high94.9Very high17 Ų1718.8 Ų18.87%0.07410%0.098CC..THydrogen-bonded Turntrans-62.1-37.7179.3-68.6172.2-153.4640112.8Y284 S286 F287 E288 T297Y284-K299 WeakPolarHBondContact CE1-O 3.36Å; S286-K299 WeakPolarHBondContact CB-O 3.46Å; S286-K299 PolarHBondContact OG-O 3.06Å; F287-K299 WeakPolarHBondContact O-CD 3.45Å; E288-K299 IonicContact OE2-NZ 3.1Å; E288-K299 PolarHBondContact OE2-NZ 2.82Å; T297-K299 PolarHBondContact O-N 3.12Å; T297-K299 PolarHBondContact OG1-N 3.24Å; T297-K299 PolarHBondContact OG1-NZ 3.21Å
300L96.1Very high95.1Very high2 Ų216.9 Ų16.91%0.019%0.088CC..THydrogen-bonded Turntrans-77.9-39.4177.5179.360.8000110.8I296 T297 E298 A304 F305 P311 V313 A325 F330I296-L300 HydrophobicContact CG2-CB 3.89Å; I296-L300 HydrophobicContact CG2-CD2 3.39Å; I296-L300 HydrophobicContact CG2-CG 4.25Å; T297-L300 PolarHBondContact O-N 3.49Å; T297-L300 VanDerWaalsContact O-N 3.13Å; E298-L300 VanDerWaalsContact C-N 3.32Å; E298-L300 PolarHBondContact O-N 3.26Å; L300-A304 WeakPolarHBondContact O-CB 3.42Å; L300-F305 HydrophobicContact CD1-CE1 4.5Å; L300-F305 HydrophobicContact CD1-CE2 3.73Å; L300-F305 HydrophobicContact CD1-CZ 3.69Å; L300-F305 HydrophobicContact CD2-CE2 4.1Å; L300-F305 HydrophobicContact CG-CD2 4.23Å; L300-F305 HydrophobicContact CG-CE2 3.56Å; L300-F305 HydrophobicContact CG-CZ 4.06Å; L300-F305 VanDerWaalsContact O-CD2 3.22Å; L300-F305 WeakPolarHBondContact O-CD2 3.3Å; L300-F305 WeakPolarHBondContact O-CG 3.36Å; L300-F305 PolarHBondContact O-N 2.84Å; L300-P311 HydrophobicContact CD1-CB 3.57Å; L300-P311 HydrophobicContact CD1-CG 3.49Å; L300-P311 VanDerWaalsContact CD1-CG 3.49Å; L300-V313 HydrophobicContact CD1-CG2 3.66Å; L300-A325 HydrophobicContact CD2-CB 4.26Å; L300-F330 HydrophobicContact CD1-CB 4.42Å
301F93.8Very high95.2Very high1 Ų116.6 Ų16.60%0.0049%0.086CC..THydrogen-bonded Turntrans-95.6-83.5-170.2-63.8-88.8000112.1H198 I296 T297 E298 N303 A304 F305 S306 V324 I368H198-F301 HydrophobicContact CB-CB 3.42Å; H198-F301 VanDerWaalsContact CB-CB 3.42Å; H198-F301 HydrophobicContact CB-CD1 3.69Å; H198-F301 HydrophobicContact CB-CD2 3.42Å; H198-F301 VanDerWaalsContact CB-CD2 3.42Å; H198-F301 HydrophobicContact CB-CE1 4.25Å; H198-F301 HydrophobicContact CB-CE2 3.97Å; H198-F301 HydrophobicContact CB-CG 3.23Å; H198-F301 HydrophobicContact CB-CZ 4.36Å; H198-F301 VanDerWaalsContact CG-CB 3.47Å; H198-F301 AromaticContact CG-CG 3.89Å; I296-F301 HydrophobicContact CG2-CD2 4.36Å; I296-F301 HydrophobicContact CG2-CE2 3.69Å; T297-F301 WeakPolarHBondContact O-CD2 3.38Å; E298-F301 CarbonylContact O-C 3.46Å; E298-F301 PolarHBondContact O-N 2.97Å; F301-N303 VanDerWaalsContact C-N 3.28Å; F301-N303 PolarHBondContact O-N 2.85Å; F301-A304 PolarHBondContact O-N 3.34Å; F301-F305 AromaticContact CD1-CD2 3.74Å; F301-F305 HydrophobicContact CD1-CD2 3.74Å; F301-F305 HydrophobicContact CD1-CE2 4.19Å; F301-F305 HydrophobicContact CE1-CD2 4.21Å; F301-F305 HydrophobicContact CE1-CE2 4.25Å; F301-F305 HydrophobicContact CG-CD2 4.27Å; F301-F305 PolarHBondContact O-N 2.96Å; F301-S306 PolarHBondContact O-N 3.48Å; F301-S306 PolarHBondContact O-OG 2.83Å; F301-V324 HydrophobicContact CE2-CG2 4.48Å; F301-V324 HydrophobicContact CZ-CB 4.27Å; F301-V324 HydrophobicContact CZ-CG2 4.01Å; F301-I368 HydrophobicContact CB-CG2 4.21Å; F301-I368 HydrophobicContact CD1-CD1 3.96Å; F301-I368 HydrophobicContact CD1-CG2 3.85Å; F301-I368 HydrophobicContact CE1-CD1 4.2Å
302R91.3Very high95.3Very high69 Ų6915.8 Ų15.826%0.268%0.081SC..THydrogen-bonded Turntrans-50.2-44.1-178.2-178.6-176.8171.9-130.50113.5E270 D271 E298 S306 Q307E270-R302 IonicContact OE2-CZ 3.79Å; E270-R302 IonicContact OE2-NH1 3.34Å; E270-R302 PolarHBondContact OE2-NH1 2.91Å; E270-R302 IonicContact OE2-NH2 2.85Å; E270-R302 PolarHBondContact OE2-NH2 3.37Å; D271-R302 IonicContact OD1-CZ 2.87Å; D271-R302 IonicContact OD1-NH2 3.63Å; D271-R302 PolarHBondContact OD1-NH2 2.95Å; E298-R302 HydrophobicContact CB-CB 4.08Å; E298-R302 PolarHBondContact O-N 3.27Å; R302-S306 WeakPolarHBondContact O-CB 3.34Å; R302-Q307 WeakPolarHBondContact O-CG 3.39Å; R302-Q307 PolarHBondContact O-NE2 2.75Å; R302-Q307 VanDerWaalsContact O-NE2 3.09Å
303N92.3Very high95.4Very high9 Ų916 Ų165%0.0488%0.083CC..THydrogen-bonded Turntrans-83.6-22.4-172.3-59.17.8000113.1F274 L277 Y284 E298 F301 Q307F274-N303 HydrophobicContact CD1-CB 4.42Å; F274-N303 HydrophobicContact CE1-CB 3.98Å; F274-N303 HydrophobicContact CZ-CB 4.35Å; F274-N303 VanDerWaalsContact CZ-CG 3.48Å; F274-N303 WeakPolarHBondContact CZ-ND2 3.41Å; F274-N303 WeakPolarHBondContact CZ-OD1 3.41Å; L277-N303 WeakPolarHBondContact CD1-O 3.42Å; Y284-N303 HydrophobicContact CD1-CB 4.38Å; Y284-N303 HydrophobicContact CE1-CB 3.66Å; Y284-N303 HydrophobicContact CE2-CB 4.35Å; Y284-N303 PolarHBondContact OH-ND2 3.21Å; E298-N303 PolarHBondContact O-N 2.73Å; E298-N303 PolarHBondContact O-OD1 2.86Å; F301-N303 VanDerWaalsContact C-N 3.28Å; F301-N303 PolarHBondContact O-N 2.85Å; N303-Q307 VanDerWaalsContact O-CG 3.31Å; N303-Q307 WeakPolarHBondContact O-CG 3.34Å
304A95.5Very high95.5Very high0 Ų015.3 Ų15.30%08%0.077CC..THydrogen-bonded Turntrans-119.7-70-176.400000112.7Y284 L300 F301 S306 Q307 N308 V309 P311Y284-A304 HydrophobicContact CD1-CB 3.88Å; Y284-A304 HydrophobicContact CG-CB 4.42Å; L300-A304 WeakPolarHBondContact O-CB 3.42Å; F301-A304 PolarHBondContact O-N 3.34Å; A304-S306 PolarHBondContact O-N 3.15Å; A304-Q307 CarbonylContact O-C 3.59Å; A304-Q307 WeakPolarHBondContact O-CA 3.46Å; A304-Q307 PolarHBondContact O-N 2.77Å; A304-N308 PolarHBondContact O-N 2.62Å; A304-V309 CarbonylContact C-O 3.56Å; A304-V309 PolarHBondContact O-N 3.42Å; A304-P311 HydrophobicContact CB-CB 3.65Å; A304-P311 HydrophobicContact CB-CG 4.16Å
305F95.4Very high95.6Very high5 Ų514.9 Ų14.92%0.0228%0.077CC..G310 helixtrans-56.2-48.3-179-65.7-37.9000112.7L300 F301 Q307 N308 P311 A325 P326 S329 F330 W362 I368L300-F305 HydrophobicContact CD1-CE1 4.5Å; L300-F305 HydrophobicContact CD1-CE2 3.73Å; L300-F305 HydrophobicContact CD1-CZ 3.69Å; L300-F305 HydrophobicContact CD2-CE2 4.1Å; L300-F305 HydrophobicContact CG-CD2 4.23Å; L300-F305 HydrophobicContact CG-CE2 3.56Å; L300-F305 HydrophobicContact CG-CZ 4.06Å; L300-F305 VanDerWaalsContact O-CD2 3.22Å; L300-F305 WeakPolarHBondContact O-CD2 3.3Å; L300-F305 WeakPolarHBondContact O-CG 3.36Å; L300-F305 PolarHBondContact O-N 2.84Å; F301-F305 AromaticContact CD1-CD2 3.74Å; F301-F305 HydrophobicContact CD1-CD2 3.74Å; F301-F305 HydrophobicContact CD1-CE2 4.19Å; F301-F305 HydrophobicContact CE1-CD2 4.21Å; F301-F305 HydrophobicContact CE1-CE2 4.25Å; F301-F305 HydrophobicContact CG-CD2 4.27Å; F301-F305 PolarHBondContact O-N 2.96Å; F305-Q307 PolarHBondContact O-N 3.12Å; F305-Q307 VanDerWaalsContact O-N 3.13Å; F305-N308 PolarHBondContact O-N 2.97Å; F305-N308 VanDerWaalsContact O-N 3.08Å; F305-P311 HydrophobicContact CD1-CG 3.98Å; F305-P311 HydrophobicContact CE1-CG 3.37Å; F305-P311 HydrophobicContact CZ-CG 3.76Å; F305-A325 HydrophobicContact CE2-CB 4.06Å; F305-A325 HydrophobicContact CZ-CB 4.03Å; F305-P326 VanDerWaalsContact CE2-CD 3.47Å; F305-P326 HydrophobicContact CE2-CG 4.33Å; F305-P326 HydrophobicContact CZ-CG 4.38Å; F305-S329 WeakPolarHBondContact CE1-O 3.41Å; F305-S329 WeakPolarHBondContact CE1-OG 3.31Å; F305-S329 WeakPolarHBondContact CZ-OG 3.47Å; F305-F330 HydrophobicContact CZ-CB 4.46Å; F305-W362 HydrophobicContact CB-CH2 4.17Å; F305-W362 HydrophobicContact CB-CZ2 4.1Å; F305-W362 AromaticContact CD1-CZ2 3.99Å; F305-W362 HydrophobicContact CD1-CZ2 3.99Å; F305-W362 HydrophobicContact CG-CZ2 4.25Å; F305-I368 HydrophobicContact CB-CD1 4.4Å; F305-I368 HydrophobicContact CB-CG1 4.03Å; F305-I368 HydrophobicContact CD2-CD1 4.05Å; F305-I368 HydrophobicContact CG-CD1 4.5Å
306S92.6Very high95.6Very high56 Ų5614.5 Ų14.539%0.3928%0.075SC..G310 helixtrans-66.7-15.5178.7-49.50000113.1F301 R302 A304F301-S306 PolarHBondContact O-N 3.48Å; F301-S306 PolarHBondContact O-OG 2.83Å; R302-S306 WeakPolarHBondContact O-CB 3.34Å; A304-S306 PolarHBondContact O-N 3.15Å
307Q93.8Very high95.6Very high39 Ų3915.6 Ų15.618%0.1829%0.085CC..G310 helixtrans-98.52.4176.7-53.6-48.7-47.600113.1F274 L277 G278 R302 N303 A304 F305 V309F274-Q307 HydrophobicContact CB-CG 4.27Å; F274-Q307 PolarHBondContact O-OE1 3.05Å; L277-Q307 HydrophobicContact CB-CB 4.37Å; G278-Q307 WeakPolarHBondContact CA-O 3.06Å; R302-Q307 WeakPolarHBondContact O-CG 3.39Å; R302-Q307 PolarHBondContact O-NE2 2.75Å; R302-Q307 VanDerWaalsContact O-NE2 3.09Å; N303-Q307 VanDerWaalsContact O-CG 3.31Å; N303-Q307 WeakPolarHBondContact O-CG 3.34Å; A304-Q307 CarbonylContact O-C 3.59Å; A304-Q307 WeakPolarHBondContact O-CA 3.46Å; A304-Q307 PolarHBondContact O-N 2.77Å; F305-Q307 PolarHBondContact O-N 3.12Å; F305-Q307 VanDerWaalsContact O-N 3.13Å; Q307-V309 HydrophobicContact CB-CG2 3.79Å; Q307-V309 WeakPolarHBondContact O-CG2 3.49Å
308N95Very high95.8Very high43 Ų4317.5 Ų17.523%0.2310%0.095CC..THydrogen-bonded Turntrans56.152.4-174.7-48.9-59.2000112.5Y220 K224 A304 F305 F360 H363Y220-N308 HydrophobicContact CD1-CB 3.9Å; Y220-N308 HydrophobicContact CE1-CB 4.05Å; K224-N308 WeakPolarHBondContact CE-O 3.44Å; K224-N308 PolarHBondContact NZ-O 3.42Å; A304-N308 PolarHBondContact O-N 2.62Å; F305-N308 PolarHBondContact O-N 2.97Å; F305-N308 VanDerWaalsContact O-N 3.08Å; N308-F360 VanDerWaalsContact C-CE1 3.5Å; N308-F360 HydrophobicContact CB-CE1 4.41Å; N308-H363 PolarHBondContact OD1-CE1 2.88Å; N308-H363 PolarHBondContact OD1-NE2 3.27Å
309V97.2Very high96Very high0 Ų021.4 Ų21.40%011%0.113CC..  trans-133.5142178.6-158.90000108.6L277 Y281 K282 A304 Q307 P311L277-V309 HydrophobicContact CB-CG2 4.08Å; Y281-V309 WeakPolarHBondContact O-CG1 3.48Å; K282-V309 VanDerWaalsContact O-CG1 3.27Å; K282-V309 WeakPolarHBondContact O-CG1 3.43Å; A304-V309 CarbonylContact C-O 3.56Å; A304-V309 PolarHBondContact O-N 3.42Å; Q307-V309 HydrophobicContact CB-CG2 3.79Å; Q307-V309 WeakPolarHBondContact O-CG2 3.49Å; V309-P311 VanDerWaalsContact O-CD 3.23Å; V309-P311 WeakPolarHBondContact O-CD 2.84Å
310I98.6Very high96Very high1 Ų121.5 Ų21.51%0.00511%0.113CC..EExtended strand (participates in β ladder)trans-73.4118.7179.4-56.5177.9000109K282 F283 Y284 I331 Y356 Y359 F360K282-I310 PolarHBondContact O-N 3.33Å; F283-I310 WeakPolarHBondContact CA-O 3.12Å; F283-I310 HydrophobicContact CD1-CB 3.98Å; F283-I310 HydrophobicContact CD1-CD1 4.39Å; F283-I310 HydrophobicContact CD1-CG2 4.43Å; F283-I310 HydrophobicContact CE1-CB 4.46Å; F283-I310 HydrophobicContact CE1-CD1 4.02Å; Y284-I310 PolarHBondContact N-O 3.38Å; I310-I331 HydrophobicContact CG2-CD1 3.74Å; I310-I331 HydrophobicContact CG2-CG1 3.86Å; I310-Y356 HydrophobicContact CD1-CD2 3.47Å; I310-Y356 VanDerWaalsContact CD1-CD2 3.47Å; I310-Y356 HydrophobicContact CD1-CE2 3.37Å; I310-Y356 HydrophobicContact CD1-CG 4.24Å; I310-Y356 HydrophobicContact CG1-CD2 4.48Å; I310-Y356 HydrophobicContact CG1-CE2 3.91Å; I310-Y359 HydrophobicContact CD1-CD1 4.43Å; I310-Y359 HydrophobicContact CD1-CD2 3.84Å; I310-Y359 HydrophobicContact CD1-CG 3.7Å; I310-Y359 HydrophobicContact CG1-CG 4.26Å; I310-Y359 HydrophobicContact CG2-CD1 3.92Å; I310-Y359 HydrophobicContact CG2-CE1 4.41Å; I310-Y359 HydrophobicContact CG2-CG 4.23Å; I310-F360 HydrophobicContact CD1-CE2 3.86Å; I310-F360 HydrophobicContact CD1-CZ 4.44Å; I310-F360 HydrophobicContact CG1-CD2 4.44Å; I310-F360 HydrophobicContact CG1-CE2 3.42Å; I310-F360 VanDerWaalsContact CG1-CE2 3.42Å; I310-F360 HydrophobicContact CG1-CZ 3.53Å
311P98.6Very high96Very high0 Ų021.4 Ų21.40%011%0.113CC..EExtended strand (participates in β ladder)trans-73.3131.6174.326.1-28.6000111.3Y284 S286 L300 A304 F305 V309 V313 S329 F330 I331Y284-P311 CarbonylContact O-C 3.57Å; Y284-P311 WeakPolarHBondContact O-CA 3.49Å; S286-P311 VanDerWaalsContact OG-CB 3.29Å; S286-P311 WeakPolarHBondContact OG-CB 3.14Å; L300-P311 HydrophobicContact CD1-CB 3.57Å; L300-P311 HydrophobicContact CD1-CG 3.49Å; L300-P311 VanDerWaalsContact CD1-CG 3.49Å; A304-P311 HydrophobicContact CB-CB 3.65Å; A304-P311 HydrophobicContact CB-CG 4.16Å; F305-P311 HydrophobicContact CD1-CG 3.98Å; F305-P311 HydrophobicContact CE1-CG 3.37Å; F305-P311 HydrophobicContact CZ-CG 3.76Å; V309-P311 VanDerWaalsContact O-CD 3.23Å; V309-P311 WeakPolarHBondContact O-CD 2.84Å; P311-V313 HydrophobicContact CB-CG2 4.13Å; P311-S329 WeakPolarHBondContact CD-O 2.98Å; P311-F330 HydrophobicContact CG-CB 3.73Å; P311-I331 PolarHBondContact O-N 3.16Å
312V98.9Very high96.1Very high0 Ų024.4 Ų24.40%013%0.126CC..EExtended strand (participates in β ladder)trans-100.7111.9165.9-174.20000107.6F283 Y284 L285 S286 F287 I331 V333 L342 L346F283-V312 HydrophobicContact CB-CG2 4.14Å; Y284-V312 PolarHBondContact O-N 3.28Å; L285-V312 CarbonylContact C-O 3.58Å; L285-V312 HydrophobicContact CD2-CB 3.73Å; L285-V312 HydrophobicContact CD2-CG1 4.03Å; L285-V312 HydrophobicContact CD2-CG2 4.19Å; S286-V312 PolarHBondContact N-O 2.7Å; F287-V312 WeakPolarHBondContact CD1-O 3.37Å; F287-V312 HydrophobicContact CE1-CG1 4.09Å; F287-V312 VanDerWaalsContact CE1-O 3.27Å; F287-V312 WeakPolarHBondContact CE1-O 3.15Å; F287-V312 HydrophobicContact CZ-CG1 4.47Å; V312-I331 CarbonylContact C-O 3.53Å; V312-I331 VanDerWaalsContact CA-O 3.25Å; V312-I331 WeakPolarHBondContact CA-O 3.26Å; V312-I331 HydrophobicContact CG2-CB 4.46Å; V312-V333 HydrophobicContact CG1-CG1 4.45Å; V312-L342 HydrophobicContact CG1-CD1 4.11Å; V312-L342 HydrophobicContact CG1-CD2 3.9Å; V312-L346 HydrophobicContact CG2-CD1 4.35Å; V312-L346 HydrophobicContact CG2-CD2 4.04Å
313V98.8Very high96.1Very high6 Ų627.1 Ų27.14%0.03614%0.136CC..EExtended strand (participates in β ladder)trans-103.1135.6-163.5-175.10000111.4L300 P311 F330 I331 V333L300-V313 HydrophobicContact CD1-CG2 3.66Å; P311-V313 HydrophobicContact CB-CG2 4.13Å; V313-F330 HydrophobicContact CB-CD2 4.47Å; V313-F330 HydrophobicContact CG2-CB 4.03Å; V313-F330 HydrophobicContact CG2-CD2 4.01Å; V313-F330 HydrophobicContact CG2-CG 4.33Å; V313-I331 PolarHBondContact N-O 3.17Å; V313-V333 WeakPolarHBondContact O-CG1 3.33Å; V313-V333 PolarHBondContact O-N 2.7Å
314M98.5Very high96Very high0 Ų027.2 Ų27.20%014%0.137CC..EExtended strand (participates in β ladder)trans-137.4120.9165.4173.9-173.6-66.600108.1P240 R241 Y244 F287 E288 L291 V333 I410P240-M314 HydrophobicContact CG-SD 4.18Å; R241-M314 HydrophobicContact CB-SD 3.92Å; Y244-M314 VanDerWaalsContact CB-CE 3.49Å; Y244-M314 HydrophobicContact CD1-CE 3.8Å; Y244-M314 HydrophobicContact CD2-CE 3.39Å; Y244-M314 HydrophobicContact CE1-CE 4.38Å; Y244-M314 HydrophobicContact CE2-CE 4.04Å; Y244-M314 HydrophobicContact CG-CE 3.27Å; F287-M314 HydrophobicContact CB-CB 4.26Å; F287-M314 HydrophobicContact CD1-CB 3.42Å; F287-M314 VanDerWaalsContact CD1-CB 3.42Å; F287-M314 HydrophobicContact CD2-CB 4.44Å; F287-M314 HydrophobicContact CD2-CE 4.42Å; F287-M314 HydrophobicContact CD2-SD 4.44Å; F287-M314 HydrophobicContact CE1-CB 3.76Å; F287-M314 HydrophobicContact CE2-CE 4.16Å; F287-M314 HydrophobicContact CG-CB 3.8Å; F287-M314 HydrophobicContact CZ-CB 4.4Å; F287-M314 HydrophobicContact CZ-CE 4.34Å; E288-M314 PolarHBondContact N-O 2.78Å; L291-M314 HydrophobicContact CD2-CG 4.09Å; M314-V333 HydrophobicContact CB-CG1 4.19Å; M314-V333 HydrophobicContact CB-CG2 3.95Å; M314-V333 HydrophobicContact CE-CG1 4.17Å; M314-V333 HydrophobicContact CE-CG2 4.16Å; M314-V333 HydrophobicContact CG-CG2 4.17Å; M314-I410 HydrophobicContact CE-CD1 3.91Å; M314-I410 HydrophobicContact CE-CG2 4.36Å; M314-I410 HydrophobicContact CG-CG2 3.93Å; M314-I410 HydrophobicContact SD-CG2 4.38Å
315G97.2Very high96Very high8 Ų827.5 Ų27.58%0.08214%0.139CC..SBendtrans163.7-108.8-178.900000112.1
316A96.3Very high96Very high1 Ų127.3 Ų27.31%0.00814%0.138CC..SBendtrans-58.5158.316600000110.7I296 E320 H332I296-A316 HydrophobicContact CD1-CB 3.88Å; I296-A316 HydrophobicContact CG1-CB 3.55Å; A316-E320 HydrophobicContact CB-CB 3.82Å; A316-H332 PolarHBondContact O-NE2 3.19Å
317S96.8Very high96.1Very high40 Ų4025 Ų2528%0.2812%0.123SC..  trans-69.7165.2179.867.40000111.7E319 E320 C321S317-E319 VanDerWaalsContact C-N 3.25Å; S317-E319 PolarHBondContact O-N 2.8Å; S317-E320 WeakPolarHBondContact CA-OE2 3.46Å; S317-E320 WeakPolarHBondContact CB-OE2 3.28Å; S317-E320 PolarHBondContact N-OE2 3.09Å; S317-E320 PolarHBondContact O-N 3.25Å; S317-E320 VanDerWaalsContact O-N 3.11Å; S317-E320 WeakPolarHBondContact OG-CG 3.32Å; S317-E320 PolarHBondContact OG-N 3.39Å; S317-E320 PolarHBondContact OG-OE2 3.26Å; S317-C321 PolarHBondContact O-N 3.22Å; S317-C321 PolarHBondContact O-SG 3.01Å
318I97.7Very high96.3Very high40 Ų4028.1 Ų28.121%0.20514%0.137CC..Hα-helixtrans-52-45.9175.8-61.9171.7000111.3C321 K322 H332 D334 Q335I318-C321 PolarHBondContact O-N 2.97Å; I318-K322 HydrophobicContact CG2-CD 4.27Å; I318-K322 HydrophobicContact CG2-CG 4.45Å; I318-K322 WeakPolarHBondContact O-CB 3.3Å; I318-K322 WeakPolarHBondContact O-CG 3.13Å; I318-K322 PolarHBondContact O-N 2.69Å; I318-H332 HydrophobicContact CD1-CB 4.37Å; I318-H332 HydrophobicContact CG1-CB 3.73Å; I318-D334 HydrophobicContact CD1-CB 4.29Å; I318-Q335 HydrophobicContact CD1-CG 3.75Å
319E96.1Very high96.5Very high113 Ų11326.1 Ų26.153%0.52813%0.126SC..Hα-helixtrans-71.1-33.1-178-60.8-52129.200112.4S317 K322 R323S317-E319 VanDerWaalsContact C-N 3.25Å; S317-E319 PolarHBondContact O-N 2.8Å; E319-K322 IonicContact OE1-NZ 3.3Å; E319-K322 PolarHBondContact OE1-NZ 3.1Å; E319-K322 IonicContact OE2-NZ 3.07Å; E319-R323 WeakPolarHBondContact O-CG 3.36Å; E319-R323 PolarHBondContact O-N 3.48Å
320E95.7Very high96.5Very high18 Ų1826.9 Ų26.98%0.08413%0.13CC..Hα-helixtrans-66.2-44.3171.8-72.6159.7131.700111.2A293 D294 A316 S317 R323 R408A293-E320 WeakPolarHBondContact CA-OE1 3.42Å; D294-E320 PolarHBondContact N-OE1 3.45Å; A316-E320 HydrophobicContact CB-CB 3.82Å; S317-E320 WeakPolarHBondContact CA-OE2 3.46Å; S317-E320 WeakPolarHBondContact CB-OE2 3.28Å; S317-E320 PolarHBondContact N-OE2 3.09Å; S317-E320 PolarHBondContact O-N 3.25Å; S317-E320 VanDerWaalsContact O-N 3.11Å; S317-E320 WeakPolarHBondContact OG-CG 3.32Å; S317-E320 PolarHBondContact OG-N 3.39Å; S317-E320 PolarHBondContact OG-OE2 3.26Å; E320-R323 VanDerWaalsContact CG-NH2 3.33Å; E320-R323 PolarHBondContact O-N 2.79Å; E320-R408 IonicContact OE1-CZ 3.33Å; E320-R408 IonicContact OE1-NH1 2.85Å; E320-R408 PolarHBondContact OE1-NH1 3.41Å; E320-R408 IonicContact OE1-NH2 2.75Å; E320-R408 IonicContact OE2-CZ 3.47Å; E320-R408 IonicContact OE2-NH1 2.84Å; E320-R408 PolarHBondContact OE2-NH1 2.86Å; E320-R408 IonicContact OE2-NH2 3.81Å; E320-R408 PolarHBondContact OE2-NH2 2.8Å
321C96.1Very high96.6Very high0 Ų026.9 Ų26.90%013%0.129CC..Hα-helixtrans-63.2-43.7176-670000112.5I296 S317 I318 R323 V324 A325 F330I296-C321 HydrophobicContact CD1-CB 4.45Å; S317-C321 PolarHBondContact O-N 3.22Å; S317-C321 PolarHBondContact O-SG 3.01Å; I318-C321 PolarHBondContact O-N 2.97Å; C321-R323 PolarHBondContact O-N 2.92Å; C321-V324 PolarHBondContact O-N 3.09Å; C321-V324 VanDerWaalsContact O-N 3.13Å; C321-A325 WeakPolarHBondContact O-CB 3.44Å; C321-A325 PolarHBondContact O-N 3.41Å; C321-F330 HydrophobicContact CB-CD2 4.41Å; C321-F330 HydrophobicContact CB-CE1 3.92Å; C321-F330 HydrophobicContact CB-CE2 3.67Å; C321-F330 HydrophobicContact CB-CZ 3.39Å
322K95.3Very high96.6Very high64 Ų6426.9 Ų26.928%0.27813%0.13SC..Hα-helixtrans-56.2-32.7177.6-84.9179.9-178.4172.40113.5P209 I318 E319 V324 F330P209-K322 HydrophobicContact CB-CB 4Å; P209-K322 WeakPolarHBondContact CB-O 3.17Å; P209-K322 VanDerWaalsContact CG-O 3.29Å; P209-K322 WeakPolarHBondContact CG-O 2.95Å; I318-K322 HydrophobicContact CG2-CD 4.27Å; I318-K322 HydrophobicContact CG2-CG 4.45Å; I318-K322 WeakPolarHBondContact O-CB 3.3Å; I318-K322 WeakPolarHBondContact O-CG 3.13Å; I318-K322 PolarHBondContact O-N 2.69Å; E319-K322 IonicContact OE1-NZ 3.3Å; E319-K322 PolarHBondContact OE1-NZ 3.1Å; E319-K322 IonicContact OE2-NZ 3.07Å; K322-V324 VanDerWaalsContact C-N 3.27Å; K322-V324 PolarHBondContact O-N 3.07Å; K322-F330 HydrophobicContact CG-CE1 4.27Å; K322-F330 HydrophobicContact CG-CZ 4.04Å
323R91.1Very high96.5Very high126 Ų12627 Ų2748%0.47513%0.13SC..THydrogen-bonded Turntrans-69.5-20.8-179.6-74.5-176.8-60.5163.48.8114.1D294 E319 E320 C321D294-R323 IonicContact OD1-CZ 3.67Å; D294-R323 IonicContact OD1-NH2 3.26Å; D294-R323 PolarHBondContact OD1-NH2 3.11Å; E319-R323 WeakPolarHBondContact O-CG 3.36Å; E319-R323 PolarHBondContact O-N 3.48Å; E320-R323 VanDerWaalsContact CG-NH2 3.33Å; E320-R323 PolarHBondContact O-N 2.79Å; C321-R323 PolarHBondContact O-N 2.92Å
324V90.8Very high96.5Very high12 Ų1228.5 Ų28.57%0.07314%0.138CC..THydrogen-bonded Turntrans-124.7-21.9-172.3-57.90000113.9M189 Y194 Y200 I296 F301 C321 K322M189-V324 HydrophobicContact SD-CG1 4.44Å; Y194-V324 WeakPolarHBondContact OH-CG1 3.49Å; Y200-V324 WeakPolarHBondContact CB-O 3.37Å; Y200-V324 PolarHBondContact N-O 2.99Å; Y200-V324 VanDerWaalsContact N-O 3.16Å; I296-V324 HydrophobicContact CD1-CG2 3.52Å; I296-V324 HydrophobicContact CG2-CG2 4.4Å; F301-V324 HydrophobicContact CE2-CG2 4.48Å; F301-V324 HydrophobicContact CZ-CB 4.27Å; F301-V324 HydrophobicContact CZ-CG2 4.01Å; C321-V324 PolarHBondContact O-N 3.09Å; C321-V324 VanDerWaalsContact O-N 3.13Å; K322-V324 VanDerWaalsContact C-N 3.27Å; K322-V324 PolarHBondContact O-N 3.07Å
325A94.6Very high96.5Very high5 Ų532.6 Ų32.64%0.04116%0.157CC..SBendtrans-86.4157.3178.500000111.2L300 F305 C321 F330L300-A325 HydrophobicContact CD2-CB 4.26Å; F305-A325 HydrophobicContact CE2-CB 4.06Å; F305-A325 HydrophobicContact CZ-CB 4.03Å; C321-A325 WeakPolarHBondContact O-CB 3.44Å; C321-A325 PolarHBondContact O-N 3.41Å; A325-F330 HydrophobicContact CB-CD1 3.79Å; A325-F330 HydrophobicContact CB-CE1 3.94Å
326P96.1Very high96.6Very high1 Ų133.6 Ų33.61%0.00616%0.159CC..PPolyproline II helixtrans-58.5148.5169.2-11.821.4000111.5Y200 F305 H328 S329 W362 I368Y200-P326 HydrophobicContact CD1-CB 4.15Å; Y200-P326 HydrophobicContact CD1-CG 4.47Å; Y200-P326 HydrophobicContact CD2-CB 3.83Å; Y200-P326 HydrophobicContact CD2-CG 3.6Å; Y200-P326 HydrophobicContact CE1-CB 4.24Å; Y200-P326 HydrophobicContact CE2-CB 3.88Å; Y200-P326 HydrophobicContact CE2-CG 4.08Å; Y200-P326 HydrophobicContact CG-CB 3.94Å; Y200-P326 HydrophobicContact CG-CG 3.78Å; F305-P326 VanDerWaalsContact CE2-CD 3.47Å; F305-P326 HydrophobicContact CE2-CG 4.33Å; F305-P326 HydrophobicContact CZ-CG 4.38Å; P326-H328 PolarHBondContact O-N 3.2Å; P326-S329 WeakPolarHBondContact CD-OG 3.29Å; P326-S329 VanDerWaalsContact O-CB 3.27Å; P326-S329 WeakPolarHBondContact O-CB 3.18Å; P326-S329 PolarHBondContact O-N 3.27Å; P326-S329 PolarHBondContact O-OG 2.81Å; P326-W362 HydrophobicContact CB-CB 3.54Å; P326-W362 HydrophobicContact CB-CD2 3.54Å; P326-W362 HydrophobicContact CB-CE3 3.94Å; P326-W362 HydrophobicContact CB-CG 3.34Å; P326-W362 HydrophobicContact CG-CD2 3.56Å; P326-W362 HydrophobicContact CG-CE3 3.74Å; P326-W362 HydrophobicContact CG-CG 3.93Å; P326-W362 HydrophobicContact CG-CH2 4.43Å; P326-W362 HydrophobicContact CG-CZ2 4.29Å; P326-W362 HydrophobicContact CG-CZ3 4.18Å; P326-I368 HydrophobicContact CG-CD1 3.95Å
327P95.8Very high96.6Very high9 Ų939.8 Ų39.86%0.05819%0.188CC..THydrogen-bonded Turntrans-54.4136.9176.1-27.235.8000112.2G208 T211 Y213 S329G208-P327 WeakPolarHBondContact O-CG 3.48Å; T211-P327 VanDerWaalsContact O-CB 3.25Å; T211-P327 WeakPolarHBondContact O-CB 3.32Å; Y213-P327 HydrophobicContact CE2-CB 4.14Å; Y213-P327 HydrophobicContact CE2-CG 3.83Å; P327-S329 PolarHBondContact O-N 3.14Å; P327-S329 VanDerWaalsContact O-N 3.13Å
328H97.4Very high96.6Very high103 Ų10339.4 Ų39.448%0.47719%0.185SC..THydrogen-bonded Turntrans49.935.6177.8-166.165.1000115P326 Y359P326-H328 PolarHBondContact O-N 3.2Å; H328-Y359 WeakPolarHBondContact O-CA 3.27Å; H328-Y359 WeakPolarHBondContact O-CD1 3.05Å
329S98.3Very high96.6Very high1 Ų137.6 Ų37.61%0.00718%0.176CC..  trans-105.3-9.8-171.364.20000115.7F305 P311 P326 P327F305-S329 WeakPolarHBondContact CE1-O 3.41Å; F305-S329 WeakPolarHBondContact CE1-OG 3.31Å; F305-S329 WeakPolarHBondContact CZ-OG 3.47Å; P311-S329 WeakPolarHBondContact CD-O 2.98Å; P326-S329 WeakPolarHBondContact CD-OG 3.29Å; P326-S329 VanDerWaalsContact O-CB 3.27Å; P326-S329 WeakPolarHBondContact O-CB 3.18Å; P326-S329 PolarHBondContact O-N 3.27Å; P326-S329 PolarHBondContact O-OG 2.81Å; P327-S329 PolarHBondContact O-N 3.14Å; P327-S329 VanDerWaalsContact O-N 3.13Å
330F98.6Very high96.7Very high17 Ų1733.1 Ų33.18%0.07516%0.159CC..  trans-134.8156.3-173.869.4-87.7000112.5L300 F305 P311 V313 C321 K322 A325 H332L300-F330 HydrophobicContact CD1-CB 4.42Å; F305-F330 HydrophobicContact CZ-CB 4.46Å; P311-F330 HydrophobicContact CG-CB 3.73Å; V313-F330 HydrophobicContact CB-CD2 4.47Å; V313-F330 HydrophobicContact CG2-CB 4.03Å; V313-F330 HydrophobicContact CG2-CD2 4.01Å; V313-F330 HydrophobicContact CG2-CG 4.33Å; C321-F330 HydrophobicContact CB-CD2 4.41Å; C321-F330 HydrophobicContact CB-CE1 3.92Å; C321-F330 HydrophobicContact CB-CE2 3.67Å; C321-F330 HydrophobicContact CB-CZ 3.39Å; K322-F330 HydrophobicContact CG-CE1 4.27Å; K322-F330 HydrophobicContact CG-CZ 4.04Å; A325-F330 HydrophobicContact CB-CD1 3.79Å; A325-F330 HydrophobicContact CB-CE1 3.94Å; F330-H332 HydrophobicContact CD2-CB 4.2Å; F330-H332 HydrophobicContact CE2-CB 3.99Å
331I98.9Very high96.9Very high0 Ų037.5 Ų37.50%018%0.177CC..EExtended strand (participates in β ladder)trans-108.4129.7172.5-60.1170.7000107F283 I310 P311 V312 V313 F336 L342 Y345 L346 L349 Y359F283-I331 HydrophobicContact CD1-CD1 4.4Å; F283-I331 HydrophobicContact CE1-CD1 4.36Å; I310-I331 HydrophobicContact CG2-CD1 3.74Å; I310-I331 HydrophobicContact CG2-CG1 3.86Å; P311-I331 PolarHBondContact O-N 3.16Å; V312-I331 CarbonylContact C-O 3.53Å; V312-I331 VanDerWaalsContact CA-O 3.25Å; V312-I331 WeakPolarHBondContact CA-O 3.26Å; V312-I331 HydrophobicContact CG2-CB 4.46Å; V313-I331 PolarHBondContact N-O 3.17Å; I331-F336 HydrophobicContact CG2-CE2 3.49Å; I331-F336 VanDerWaalsContact CG2-CE2 3.49Å; I331-F336 HydrophobicContact CG2-CZ 3.89Å; I331-L342 HydrophobicContact CG2-CD1 3.8Å; I331-Y345 HydrophobicContact CD1-CD1 4.18Å; I331-Y345 HydrophobicContact CD1-CE1 3.9Å; I331-Y345 HydrophobicContact CG1-CE1 4.18Å; I331-Y345 HydrophobicContact CG2-CD1 4.41Å; I331-Y345 HydrophobicContact CG2-CE1 4.5Å; I331-L346 HydrophobicContact CD1-CD2 3.65Å; I331-L349 HydrophobicContact CD1-CD1 3.52Å; I331-Y359 HydrophobicContact CD1-CE1 4.37Å; I331-Y359 HydrophobicContact CG1-CD1 4.41Å; I331-Y359 HydrophobicContact CG1-CE1 3.58Å
332H98.8Very high97Very high1 Ų137.5 Ų37.51%0.00518%0.177CC..EExtended strand (participates in β ladder)trans-110.7137.9179.5-166-85.2000111A316 I318 F330 D334 Q335A316-H332 PolarHBondContact O-NE2 3.19Å; I318-H332 HydrophobicContact CD1-CB 4.37Å; I318-H332 HydrophobicContact CG1-CB 3.73Å; F330-H332 HydrophobicContact CD2-CB 4.2Å; F330-H332 HydrophobicContact CE2-CB 3.99Å; H332-D334 IonicContact CE1-OD2 2.77Å; H332-D334 PolarHBondContact CE1-OD2 3.22Å; H332-D334 VanDerWaalsContact CE1-OD2 3.3Å; H332-D334 WeakPolarHBondContact ND1-CB 3.26Å; H332-D334 PolarHBondContact ND1-N 3.4Å; H332-D334 VanDerWaalsContact ND1-N 3.14Å; H332-D334 IonicContact ND1-OD2 3.8Å; H332-D334 PolarHBondContact O-N 2.87Å; H332-D334 VanDerWaalsContact O-N 3.15Å; H332-Q335 HydrophobicContact CB-CG 4.2Å; H332-Q335 VanDerWaalsContact O-CB 3.31Å; H332-Q335 WeakPolarHBondContact O-CB 3.43Å; H332-Q335 PolarHBondContact O-N 3.42Å; H332-Q335 PolarHBondContact O-OE1 3.33Å
333V98.7Very high97.2Very high3 Ų334.5 Ų34.52%0.01816%0.164CC..G310 helixtrans-55.7-35.7-178-66.60000113.1Y244 F287 V312 V313 M314 Q335 F336 L342 I410Y244-V333 HydrophobicContact CD1-CG1 4.48Å; Y244-V333 HydrophobicContact CE1-CB 4.41Å; Y244-V333 HydrophobicContact CE1-CG1 3.72Å; Y244-V333 HydrophobicContact CE2-CB 4.11Å; Y244-V333 HydrophobicContact CE2-CG1 4.25Å; F287-V333 HydrophobicContact CE1-CG1 3.84Å; F287-V333 HydrophobicContact CZ-CG1 3.85Å; V312-V333 HydrophobicContact CG1-CG1 4.45Å; V313-V333 WeakPolarHBondContact O-CG1 3.33Å; V313-V333 PolarHBondContact O-N 2.7Å; M314-V333 HydrophobicContact CB-CG1 4.19Å; M314-V333 HydrophobicContact CB-CG2 3.95Å; M314-V333 HydrophobicContact CE-CG1 4.17Å; M314-V333 HydrophobicContact CE-CG2 4.16Å; M314-V333 HydrophobicContact CG-CG2 4.17Å; V333-Q335 PolarHBondContact O-N 2.93Å; V333-F336 PolarHBondContact O-N 3.13Å; V333-F336 VanDerWaalsContact O-N 3.1Å; V333-L342 HydrophobicContact CG1-CD2 4.18Å; V333-I410 HydrophobicContact CG2-CG2 4.12Å
334D98.2Very high97.6Very high36 Ų3632.4 Ų32.419%0.19316%0.163CC..G310 helixtrans-72.3-8.2-179.4-65.2-22.4000114.8I318 H332 F336 I410 R411I318-D334 HydrophobicContact CD1-CB 4.29Å; H332-D334 IonicContact CE1-OD2 2.77Å; H332-D334 PolarHBondContact CE1-OD2 3.22Å; H332-D334 VanDerWaalsContact CE1-OD2 3.3Å; H332-D334 WeakPolarHBondContact ND1-CB 3.26Å; H332-D334 PolarHBondContact ND1-N 3.4Å; H332-D334 VanDerWaalsContact ND1-N 3.14Å; H332-D334 IonicContact ND1-OD2 3.8Å; H332-D334 PolarHBondContact O-N 2.87Å; H332-D334 VanDerWaalsContact O-N 3.15Å; D334-F336 PolarHBondContact O-N 3.12Å; D334-I410 WeakPolarHBondContact OD1-CA 3.44Å; D334-I410 WeakPolarHBondContact OD1-CB 3.24Å; D334-R411 HydrophobicContact CB-CB 4.09Å; D334-R411 WeakPolarHBondContact O-CD 3.43Å; D334-R411 WeakPolarHBondContact OD1-CB 3.38Å; D334-R411 PolarHBondContact OD1-N 3.35Å
335Q98.4Very high97.9Very high87 Ų8735 Ų3541%0.40717%0.171SC..G310 helixtrans-69.4-15.3168.9-65.7172.7-5300111.8I318 H332 V333I318-Q335 HydrophobicContact CD1-CG 3.75Å; H332-Q335 HydrophobicContact CB-CG 4.2Å; H332-Q335 VanDerWaalsContact O-CB 3.31Å; H332-Q335 WeakPolarHBondContact O-CB 3.43Å; H332-Q335 PolarHBondContact O-N 3.42Å; H332-Q335 PolarHBondContact O-OE1 3.33Å; V333-Q335 PolarHBondContact O-N 2.93Å
336F98.3Very high98.1Very high28 Ų2834.7 Ų34.712%0.12317%0.169CC..SBendtrans-117.5149.9-174.9-53-84.9000111.3I331 V333 D334 S338 K341 L342 Y345I331-F336 HydrophobicContact CG2-CE2 3.49Å; I331-F336 VanDerWaalsContact CG2-CE2 3.49Å; I331-F336 HydrophobicContact CG2-CZ 3.89Å; V333-F336 PolarHBondContact O-N 3.13Å; V333-F336 VanDerWaalsContact O-N 3.1Å; D334-F336 PolarHBondContact O-N 3.12Å; F336-S338 VanDerWaalsContact C-N 3.32Å; F336-K341 HydrophobicContact CB-CB 4.22Å; F336-K341 HydrophobicContact CD1-CB 4.38Å; F336-L342 HydrophobicContact CB-CB 4.21Å; F336-L342 HydrophobicContact CD1-CB 4.45Å; F336-L342 HydrophobicContact CD2-CB 3.96Å; F336-L342 HydrophobicContact CD2-CD1 3.71Å; F336-L342 HydrophobicContact CD2-CG 4.37Å; F336-L342 HydrophobicContact CE2-CD1 3.54Å; F336-L342 HydrophobicContact CG-CB 3.91Å; F336-L342 HydrophobicContact CG-CD1 4.41Å; F336-L342 HydrophobicContact CZ-CD1 4.08Å; F336-Y345 VanDerWaalsContact CE1-CB 3.41Å; F336-Y345 AromaticContact CE1-CD1 3.8Å; F336-Y345 HydrophobicContact CE1-CD1 3.8Å; F336-Y345 HydrophobicContact CE1-CD2 4.3Å; F336-Y345 AromaticContact CE1-CG 3.57Å; F336-Y345 HydrophobicContact CE1-CG 3.57Å; F336-Y345 HydrophobicContact CE2-CD1 4.49Å; F336-Y345 AromaticContact CZ-CD1 3.38Å; F336-Y345 HydrophobicContact CZ-CD1 3.38Å; F336-Y345 HydrophobicContact CZ-CE1 4.05Å; F336-Y345 AromaticContact CZ-CG 3.7Å; F336-Y345 HydrophobicContact CZ-CG 3.7Å
337E96.6Very high98.3Very high132 Ų13237.5 Ų37.562%0.61718%0.181SC*.SBendtrans-73.2-26.7177.1-67.2175.6174.300112.7
338S97.2Very high98.4Very high31 Ų3142.3 Ų42.322%0.21720%0.199CC..SBendtrans-156.5161.7-176.864.10000112.4F336 A340 K341 L342F336-S338 VanDerWaalsContact C-N 3.32Å; S338-A340 PolarHBondContact O-N 3.15Å; S338-K341 PolarHBondContact O-N 3.01Å; S338-K341 VanDerWaalsContact O-N 3.11Å; S338-K341 PolarHBondContact OG-N 2.88Å; S338-L342 PolarHBondContact O-N 2.6Å; S338-L342 VanDerWaalsContact O-N 3.08Å
339P98.4Very high98.5Very high2 Ų237.4 Ų37.41%0.01318%0.177CC..Hα-helixtrans-54.1-33.5169.8-26.734.3000113.5Y244 E247 L248 L342 A343 W412Y244-P339 HydrophobicContact CD1-CG 4.47Å; Y244-P339 HydrophobicContact CD2-CG 4.13Å; Y244-P339 HydrophobicContact CE1-CB 4.29Å; Y244-P339 HydrophobicContact CE1-CG 4.18Å; Y244-P339 HydrophobicContact CE2-CG 3.82Å; Y244-P339 HydrophobicContact CG-CG 4.43Å; E247-P339 HydrophobicContact CB-CB 4.38Å; E247-P339 HydrophobicContact CB-CG 4.13Å; E247-P339 HydrophobicContact CG-CB 4.13Å; E247-P339 HydrophobicContact CG-CG 3.91Å; L248-P339 HydrophobicContact CB-CB 4.09Å; L248-P339 HydrophobicContact CD1-CB 4.11Å; L248-P339 WeakPolarHBondContact CD1-O 3.37Å; P339-L342 PolarHBondContact O-N 3.45Å; P339-A343 WeakPolarHBondContact O-CB 3.38Å; P339-A343 PolarHBondContact O-N 3.09Å; P339-W412 VanDerWaalsContact CD-CE2 3.47Å; P339-W412 HydrophobicContact CG-CD2 3.95Å; P339-W412 HydrophobicContact CG-CE3 4.22Å; P339-W412 HydrophobicContact CG-CG 4.47Å; P339-W412 HydrophobicContact CG-CH2 4.2Å; P339-W412 HydrophobicContact CG-CZ2 3.98Å; P339-W412 HydrophobicContact CG-CZ3 4.33Å
340A98.4Very high98.5Very high20 Ų2039.5 Ų39.517%0.16519%0.187CC..Hα-helixtrans-63.1-45.5175.900000112Y251 S338 L342 A343 D344Y251-A340 HydrophobicContact CD1-CB 3.93Å; Y251-A340 HydrophobicContact CD2-CB 3.95Å; Y251-A340 HydrophobicContact CE1-CB 3.78Å; Y251-A340 HydrophobicContact CE2-CB 3.81Å; Y251-A340 HydrophobicContact CG-CB 4.01Å; S338-A340 PolarHBondContact O-N 3.15Å; A340-L342 VanDerWaalsContact C-N 3.34Å; A340-L342 PolarHBondContact O-N 2.97Å; A340-A343 WeakPolarHBondContact O-CB 3.08Å; A340-A343 PolarHBondContact O-N 2.83Å; A340-A343 VanDerWaalsContact O-N 3.17Å; A340-D344 PolarHBondContact O-N 3.43Å
341K98.6Very high98.4Very high110 Ų11048.3 Ų48.348%0.47822%0.22SC..Hα-helixtrans-66.6-35.8177-69.4-60.6-174.7-174.10112.7F336 S338 D344 Y345F336-K341 HydrophobicContact CB-CB 4.22Å; F336-K341 HydrophobicContact CD1-CB 4.38Å; S338-K341 PolarHBondContact O-N 3.01Å; S338-K341 VanDerWaalsContact O-N 3.11Å; S338-K341 PolarHBondContact OG-N 2.88Å; K341-D344 PolarHBondContact O-N 2.95Å; K341-Y345 PolarHBondContact O-N 2.92Å; K341-Y345 VanDerWaalsContact O-N 3.11Å
342L98.8Very high98.4Very high0 Ų050.7 Ų50.70%023%0.233CC..Hα-helixtrans-61-48.3169.617262.8000110.7Y244 L248 V312 I331 V333 F336 S338 P339 A340 D344 Y345 L346Y244-L342 HydrophobicContact CE1-CD2 3.83Å; Y244-L342 WeakPolarHBondContact OH-CD2 3.49Å; L248-L342 HydrophobicContact CD1-CB 4.43Å; L248-L342 HydrophobicContact CD1-CD2 4.1Å; L248-L342 HydrophobicContact CD1-CG 4.24Å; L248-L342 HydrophobicContact CD2-CD2 4.14Å; V312-L342 HydrophobicContact CG1-CD1 4.11Å; V312-L342 HydrophobicContact CG1-CD2 3.9Å; I331-L342 HydrophobicContact CG2-CD1 3.8Å; V333-L342 HydrophobicContact CG1-CD2 4.18Å; F336-L342 HydrophobicContact CB-CB 4.21Å; F336-L342 HydrophobicContact CD1-CB 4.45Å; F336-L342 HydrophobicContact CD2-CB 3.96Å; F336-L342 HydrophobicContact CD2-CD1 3.71Å; F336-L342 HydrophobicContact CD2-CG 4.37Å; F336-L342 HydrophobicContact CE2-CD1 3.54Å; F336-L342 HydrophobicContact CG-CB 3.91Å; F336-L342 HydrophobicContact CG-CD1 4.41Å; F336-L342 HydrophobicContact CZ-CD1 4.08Å; S338-L342 PolarHBondContact O-N 2.6Å; S338-L342 VanDerWaalsContact O-N 3.08Å; P339-L342 PolarHBondContact O-N 3.45Å; A340-L342 VanDerWaalsContact C-N 3.34Å; A340-L342 PolarHBondContact O-N 2.97Å; L342-D344 VanDerWaalsContact C-N 3.32Å; L342-D344 PolarHBondContact O-N 3.48Å; L342-Y345 WeakPolarHBondContact O-CB 3.43Å; L342-Y345 PolarHBondContact O-N 3.17Å; L342-Y345 VanDerWaalsContact O-N 3.11Å; L342-L346 HydrophobicContact CD1-CD1 4.34Å; L342-L346 HydrophobicContact CD1-CD2 4.19Å; L342-L346 HydrophobicContact CD1-CG 4.08Å; L342-L346 HydrophobicContact CG-CD1 4.31Å; L342-L346 HydrophobicContact CG-CG 4.4Å; L342-L346 WeakPolarHBondContact O-CG 3.2Å; L342-L346 PolarHBondContact O-N 3.43Å
343A98.9Very high98.3Very high0 Ų055.4 Ų55.40%026%0.255CS..Hα-helixtrans-59.4-40.6178.200000112.9L248 Y251 I252 P339 A340 Y345 L346 K347L248-A343 HydrophobicContact CD1-CB 3.94Å; Y251-A343 VanDerWaalsContact CB-CB 3.43Å; I252-A343 HydrophobicContact CB-CB 4Å; I252-A343 HydrophobicContact CG2-CB 3.97Å; P339-A343 WeakPolarHBondContact O-CB 3.38Å; P339-A343 PolarHBondContact O-N 3.09Å; A340-A343 WeakPolarHBondContact O-CB 3.08Å; A340-A343 PolarHBondContact O-N 2.83Å; A340-A343 VanDerWaalsContact O-N 3.17Å; A343-Y345 VanDerWaalsContact C-N 3.32Å; A343-Y345 PolarHBondContact O-N 3.38Å; A343-L346 PolarHBondContact O-N 2.76Å; A343-K347 VanDerWaalsContact O-CG 3.32Å; A343-K347 WeakPolarHBondContact O-CG 3.49Å; A343-K347 PolarHBondContact O-N 3Å
344D98.8Very high98.3Very high83 Ų8359.1 Ų59.144%0.44428%0.278SS..Hα-helixtrans-60-42.9174.3-70.2-21.4000111.4A340 K341 L342 K347 Y348A340-D344 PolarHBondContact O-N 3.43Å; K341-D344 PolarHBondContact O-N 2.95Å; L342-D344 VanDerWaalsContact C-N 3.32Å; L342-D344 PolarHBondContact O-N 3.48Å; D344-K347 PolarHBondContact O-N 3.09Å; D344-Y348 PolarHBondContact O-N 2.98Å
345Y98.9Very high98.3Very high65 Ų6557.6 Ų57.626%0.25527%0.27SS..Hα-helixtrans-66.6-41.3177.5-173.3-110.7000112.9I331 F336 K341 L342 A343 K347 Y348 L349 Y359I331-Y345 HydrophobicContact CD1-CD1 4.18Å; I331-Y345 HydrophobicContact CD1-CE1 3.9Å; I331-Y345 HydrophobicContact CG1-CE1 4.18Å; I331-Y345 HydrophobicContact CG2-CD1 4.41Å; I331-Y345 HydrophobicContact CG2-CE1 4.5Å; F336-Y345 VanDerWaalsContact CE1-CB 3.41Å; F336-Y345 AromaticContact CE1-CD1 3.8Å; F336-Y345 HydrophobicContact CE1-CD1 3.8Å; F336-Y345 HydrophobicContact CE1-CD2 4.3Å; F336-Y345 AromaticContact CE1-CG 3.57Å; F336-Y345 HydrophobicContact CE1-CG 3.57Å; F336-Y345 HydrophobicContact CE2-CD1 4.49Å; F336-Y345 AromaticContact CZ-CD1 3.38Å; F336-Y345 HydrophobicContact CZ-CD1 3.38Å; F336-Y345 HydrophobicContact CZ-CE1 4.05Å; F336-Y345 AromaticContact CZ-CG 3.7Å; F336-Y345 HydrophobicContact CZ-CG 3.7Å; K341-Y345 PolarHBondContact O-N 2.92Å; K341-Y345 VanDerWaalsContact O-N 3.11Å; L342-Y345 WeakPolarHBondContact O-CB 3.43Å; L342-Y345 PolarHBondContact O-N 3.17Å; L342-Y345 VanDerWaalsContact O-N 3.11Å; A343-Y345 VanDerWaalsContact C-N 3.32Å; A343-Y345 PolarHBondContact O-N 3.38Å; Y345-K347 VanDerWaalsContact C-N 3.31Å; Y345-K347 PolarHBondContact O-N 2.8Å; Y345-Y348 AromaticContact CD2-CD1 3.98Å; Y345-Y348 HydrophobicContact CD2-CD1 3.98Å; Y345-Y348 AromaticContact CE2-CD1 3.85Å; Y345-Y348 HydrophobicContact CE2-CD1 3.85Å; Y345-Y348 HydrophobicContact CE2-CE1 4.13Å; Y345-Y348 WeakPolarHBondContact O-CB 3.35Å; Y345-Y348 PolarHBondContact O-N 2.78Å; Y345-L349 HydrophobicContact CD1-CD1 4.02Å; Y345-L349 HydrophobicContact CD1-CG 4.42Å; Y345-L349 HydrophobicContact CE1-CD1 3.51Å; Y345-L349 HydrophobicContact CE1-CG 4.04Å; Y345-L349 HydrophobicContact CE2-CG 4.49Å; Y345-L349 PolarHBondContact O-N 3.17Å; Y345-Y359 WeakPolarHBondContact CE1-OH 3.34Å; Y345-Y359 PolarHBondContact OH-OH 3.44Å
346L98.9Very high98.3Very high0 Ų053.5 Ų53.50%025%0.251CS..Hα-helixtrans-62.6-38.9175-61.9-175.6000111.6V228 I252 F283 V312 I331 L342 A343 L349 D350V228-L346 HydrophobicContact CG2-CD1 3.93Å; I252-L346 HydrophobicContact CD1-CB 3.72Å; I252-L346 HydrophobicContact CD1-CD1 4.11Å; F283-L346 HydrophobicContact CD1-CD2 3.68Å; F283-L346 HydrophobicContact CD2-CB 4.21Å; F283-L346 HydrophobicContact CD2-CD1 4.49Å; F283-L346 HydrophobicContact CD2-CD2 4.27Å; F283-L346 HydrophobicContact CE1-CD2 3.81Å; F283-L346 HydrophobicContact CE2-CB 3.95Å; F283-L346 HydrophobicContact CE2-CD2 4.38Å; F283-L346 WeakPolarHBondContact CE2-O 3.49Å; F283-L346 HydrophobicContact CG-CD2 3.94Å; F283-L346 HydrophobicContact CZ-CB 4.23Å; F283-L346 HydrophobicContact CZ-CD2 4.18Å; F283-L346 WeakPolarHBondContact CZ-O 3.33Å; V312-L346 HydrophobicContact CG2-CD1 4.35Å; V312-L346 HydrophobicContact CG2-CD2 4.04Å; I331-L346 HydrophobicContact CD1-CD2 3.65Å; L342-L346 HydrophobicContact CD1-CD1 4.34Å; L342-L346 HydrophobicContact CD1-CD2 4.19Å; L342-L346 HydrophobicContact CD1-CG 4.08Å; L342-L346 HydrophobicContact CG-CD1 4.31Å; L342-L346 HydrophobicContact CG-CG 4.4Å; L342-L346 WeakPolarHBondContact O-CG 3.2Å; L342-L346 PolarHBondContact O-N 3.43Å; A343-L346 PolarHBondContact O-N 2.76Å; L346-L349 PolarHBondContact O-N 3.26Å; L346-D350 WeakPolarHBondContact O-CB 3.02Å; L346-D350 PolarHBondContact O-N 3.37Å
347K98.8Very high98.3Very high59 Ų5952.8 Ų52.826%0.25725%0.249SC..Hα-helixtrans-68.1-33.7173.7-70.5169.7-174169.70112.9Y251 I252 A343 D344 Y345 R351Y251-K347 WeakPolarHBondContact O-CE 3.41Å; Y251-K347 PolarHBondContact O-NZ 2.82Å; I252-K347 HydrophobicContact CD1-CG 4.41Å; A343-K347 VanDerWaalsContact O-CG 3.32Å; A343-K347 WeakPolarHBondContact O-CG 3.49Å; A343-K347 PolarHBondContact O-N 3Å; D344-K347 PolarHBondContact O-N 3.09Å; Y345-K347 VanDerWaalsContact C-N 3.31Å; Y345-K347 PolarHBondContact O-N 2.8Å; K347-R351 WeakPolarHBondContact O-CD 3.46Å; K347-R351 VanDerWaalsContact O-CG 3.31Å; K347-R351 WeakPolarHBondContact O-CG 3.45Å; K347-R351 PolarHBondContact O-N 2.8Å
348Y98.7Very high98.4Very high110 Ų11050.7 Ų50.743%0.43124%0.239SC..Hα-helixtrans-62.7-51.1172.5158.7-102.6000110.8D344 Y345 D350 R351 N352 A355D344-Y348 PolarHBondContact O-N 2.98Å; Y345-Y348 AromaticContact CD2-CD1 3.98Å; Y345-Y348 HydrophobicContact CD2-CD1 3.98Å; Y345-Y348 AromaticContact CE2-CD1 3.85Å; Y345-Y348 HydrophobicContact CE2-CD1 3.85Å; Y345-Y348 HydrophobicContact CE2-CE1 4.13Å; Y345-Y348 WeakPolarHBondContact O-CB 3.35Å; Y345-Y348 PolarHBondContact O-N 2.78Å; Y348-D350 VanDerWaalsContact C-N 3.28Å; Y348-D350 PolarHBondContact O-N 3.23Å; Y348-R351 PolarHBondContact O-N 2.83Å; Y348-R351 VanDerWaalsContact O-N 3.1Å; Y348-N352 HydrophobicContact CD2-CB 4.48Å; Y348-N352 HydrophobicContact CE2-CB 4.04Å; Y348-N352 WeakPolarHBondContact O-CB 3.16Å; Y348-N352 PolarHBondContact O-N 3.27Å; Y348-N352 PolarHBondContact OH-ND2 2.79Å; Y348-N352 VanDerWaalsContact OH-ND2 3.08Å; Y348-A355 HydrophobicContact CE1-CB 3.87Å; Y348-A355 WeakPolarHBondContact OH-CB 3.23Å
349L98.6Very high98.4Very high1 Ų149.5 Ų49.51%0.00523%0.23CC..Hα-helixtrans-62.2-37.1177-68.5-179000112F283 I331 Y345 L346 R351 N352 A355 Y359F283-L349 HydrophobicContact CE1-CB 4.1Å; F283-L349 HydrophobicContact CE1-CD1 3.95Å; F283-L349 HydrophobicContact CZ-CB 3.78Å; F283-L349 HydrophobicContact CZ-CD1 4.43Å; I331-L349 HydrophobicContact CD1-CD1 3.52Å; Y345-L349 HydrophobicContact CD1-CD1 4.02Å; Y345-L349 HydrophobicContact CD1-CG 4.42Å; Y345-L349 HydrophobicContact CE1-CD1 3.51Å; Y345-L349 HydrophobicContact CE1-CG 4.04Å; Y345-L349 HydrophobicContact CE2-CG 4.49Å; Y345-L349 PolarHBondContact O-N 3.17Å; L346-L349 PolarHBondContact O-N 3.26Å; L349-R351 PolarHBondContact O-N 3.14Å; L349-N352 PolarHBondContact O-N 2.94Å; L349-A355 HydrophobicContact CD2-CB 3.81Å; L349-Y359 HydrophobicContact CD1-CD2 4.36Å; L349-Y359 HydrophobicContact CD1-CE2 3.77Å; L349-Y359 HydrophobicContact CD2-CE2 3.98Å
350D98Very high98.4Very high44 Ų4449.7 Ų49.724%0.23523%0.23CC..Hα-helixtrans-57.3-35.6174.8178.364.2000112.7K282 L346 Y348K282-D350 HydrophobicContact CD-CB 4.42Å; K282-D350 VanDerWaalsContact CD-OD1 3.28Å; K282-D350 WeakPolarHBondContact CD-OD1 3.28Å; K282-D350 WeakPolarHBondContact CE-OD1 3.47Å; K282-D350 PolarHBondContact NZ-O 3.15Å; K282-D350 IonicContact NZ-OD1 3.69Å; K282-D350 PolarHBondContact NZ-OD1 2.77Å; L346-D350 WeakPolarHBondContact O-CB 3.02Å; L346-D350 PolarHBondContact O-N 3.37Å; Y348-D350 VanDerWaalsContact C-N 3.28Å; Y348-D350 PolarHBondContact O-N 3.23Å
351R98Very high98.4Very high203 Ų20349 Ų4977%0.76623%0.225SC*.Hα-helixtrans-94.8-11.3-177.3-64.4169.5-174.4175.7-0.7114.3K347 Y348 L349K347-R351 WeakPolarHBondContact O-CD 3.46Å; K347-R351 VanDerWaalsContact O-CG 3.31Å; K347-R351 WeakPolarHBondContact O-CG 3.45Å; K347-R351 PolarHBondContact O-N 2.8Å; Y348-R351 PolarHBondContact O-N 2.83Å; Y348-R351 VanDerWaalsContact O-N 3.1Å; L349-R351 PolarHBondContact O-N 3.14Å
352N98.3Very high98.2Very high50 Ų5044.2 Ų44.227%0.26720%0.204SC..  trans-12193.2-178.4-175-19.2000109.6Y348 L349 T354 A355 Y356Y348-N352 HydrophobicContact CD2-CB 4.48Å; Y348-N352 HydrophobicContact CE2-CB 4.04Å; Y348-N352 WeakPolarHBondContact O-CB 3.16Å; Y348-N352 PolarHBondContact O-N 3.27Å; Y348-N352 PolarHBondContact OH-ND2 2.79Å; Y348-N352 VanDerWaalsContact OH-ND2 3.08Å; L349-N352 PolarHBondContact O-N 2.94Å; N352-T354 VanDerWaalsContact C-N 3.28Å; N352-T354 PolarHBondContact O-N 2.05Å; N352-T354 PolarHBondContact OD1-N 3.42Å; N352-A355 HydrophobicContact CB-CB 4.09Å; N352-A355 PolarHBondContact O-N 2.66Å; N352-A355 PolarHBondContact OD1-N 2.94Å; N352-Y356 WeakPolarHBondContact O-CB 3.28Å; N352-Y356 PolarHBondContact O-N 2.69Å
353E96.9Very high98Very high100 Ų10046.4 Ų46.447%0.46721%0.214SC..Hα-helixtrans-61.7-35-178.2-64.3-166.7166.100112.7N219 A221 Y356 N357N219-E353 PolarHBondContact ND2-OE2 2.93Å; A221-E353 HydrophobicContact CB-CG 4.25Å; E353-Y356 PolarHBondContact O-N 2.93Å; E353-N357 WeakPolarHBondContact O-CB 3.07Å; E353-N357 PolarHBondContact O-N 2.93Å; E353-N357 PolarHBondContact O-ND2 3.08Å
354T98.2Very high97.7Very high81 Ų8151.5 Ų51.550%0.49724%0.238SC..Hα-helixtrans-61.5-53.4177-56.10000110.4L215 N352 Y356 N357 E358L215-T354 HydrophobicContact CD1-CG2 3.89Å; N352-T354 VanDerWaalsContact C-N 3.28Å; N352-T354 PolarHBondContact O-N 2.05Å; N352-T354 PolarHBondContact OD1-N 3.42Å; T354-Y356 VanDerWaalsContact C-N 3.3Å; T354-Y356 PolarHBondContact O-N 3.44Å; T354-N357 PolarHBondContact O-N 2.79Å; T354-N357 VanDerWaalsContact O-N 3.15Å; T354-E358 PolarHBondContact O-N 3.06Å
355A98.4Very high97.5Very high4 Ų450 Ų503%0.03323%0.228CC..Hα-helixtrans-63.8-34.9178.600000112.6Y348 L349 N352Y348-A355 HydrophobicContact CE1-CB 3.87Å; Y348-A355 WeakPolarHBondContact OH-CB 3.23Å; L349-A355 HydrophobicContact CD2-CB 3.81Å; N352-A355 HydrophobicContact CB-CB 4.09Å; N352-A355 PolarHBondContact O-N 2.66Å; N352-A355 PolarHBondContact OD1-N 2.94Å
356Y98.6Very high97.2Very high1 Ų147.2 Ų47.20%0.00422%0.219CC..Hα-helixtrans-63.2-42.7173.5177.9-91.3000112A221 K224 K282 F283 I310 N352 E353 T354 E358 Y359 F360A221-Y356 HydrophobicContact CB-CD1 3.73Å; A221-Y356 HydrophobicContact CB-CE1 3.89Å; K224-Y356 WeakPolarHBondContact CD-OH 3.04Å; K282-Y356 HydrophobicContact CB-CE2 3.61Å; K282-Y356 HydrophobicContact CD-CD2 4.39Å; K282-Y356 HydrophobicContact CD-CE2 4.12Å; K282-Y356 HydrophobicContact CG-CE2 3.82Å; K282-Y356 PolarHBondContact O-OH 2.9Å; F283-Y356 HydrophobicContact CE1-CD2 4.26Å; F283-Y356 HydrophobicContact CE1-CE2 4.18Å; F283-Y356 HydrophobicContact CZ-CD2 4.34Å; F283-Y356 HydrophobicContact CZ-CE2 4.41Å; I310-Y356 HydrophobicContact CD1-CD2 3.47Å; I310-Y356 VanDerWaalsContact CD1-CD2 3.47Å; I310-Y356 HydrophobicContact CD1-CE2 3.37Å; I310-Y356 HydrophobicContact CD1-CG 4.24Å; I310-Y356 HydrophobicContact CG1-CD2 4.48Å; I310-Y356 HydrophobicContact CG1-CE2 3.91Å; N352-Y356 WeakPolarHBondContact O-CB 3.28Å; N352-Y356 PolarHBondContact O-N 2.69Å; E353-Y356 PolarHBondContact O-N 2.93Å; T354-Y356 VanDerWaalsContact C-N 3.3Å; T354-Y356 PolarHBondContact O-N 3.44Å; Y356-E358 VanDerWaalsContact C-N 3.31Å; Y356-E358 PolarHBondContact O-N 3.11Å; Y356-Y359 PolarHBondContact O-N 2.94Å; Y356-F360 HydrophobicContact CD1-CD2 4.4Å; Y356-F360 HydrophobicContact CD1-CE2 4.04Å; Y356-F360 HydrophobicContact CE1-CD2 4.03Å; Y356-F360 AromaticContact CE1-CE2 3.36Å; Y356-F360 HydrophobicContact CE1-CE2 3.36Å; Y356-F360 HydrophobicContact CE1-CZ 4.18Å; Y356-F360 HydrophobicContact CE2-CE2 4.15Å; Y356-F360 AromaticContact CZ-CE2 3.44Å; Y356-F360 VanDerWaalsContact CZ-CE2 3.44Å; Y356-F360 AromaticContact CZ-CZ 3.94Å
357N98.2Very high96.8Very high13 Ų1350.9 Ų50.97%0.0724%0.241CC..Hα-helixtrans-73.6-18.4-177.8-79.7-72.3000114L215 P216 R218 N219 Y220 E353 T354 Y359 F360L215-N357 HydrophobicContact CD2-CB 4.23Å; P216-N357 VanDerWaalsContact CD-O 3.31Å; P216-N357 WeakPolarHBondContact CD-O 3.48Å; P216-N357 HydrophobicContact CG-CB 4.33Å; R218-N357 PolarHBondContact O-OD1 3.32Å; N219-N357 WeakPolarHBondContact CA-OD1 3.35Å; N219-N357 PolarHBondContact OD1-ND2 3.36Å; Y220-N357 PolarHBondContact N-OD1 3.36Å; E353-N357 WeakPolarHBondContact O-CB 3.07Å; E353-N357 PolarHBondContact O-N 2.93Å; E353-N357 PolarHBondContact O-ND2 3.08Å; T354-N357 PolarHBondContact O-N 2.79Å; T354-N357 VanDerWaalsContact O-N 3.15Å; N357-Y359 PolarHBondContact O-N 3.01Å; N357-F360 PolarHBondContact O-N 3.23Å
358E98Very high96.2Very high87 Ų8749.5 Ų49.541%0.40724%0.236SC..Hα-helixtrans-55.6-35171.3-68.8174.5170.900111.7L215 T354 Y356 F360 A361L215-E358 HydrophobicContact CD2-CB 4.4Å; L215-E358 HydrophobicContact CD2-CG 3.65Å; T354-E358 PolarHBondContact O-N 3.06Å; Y356-E358 VanDerWaalsContact C-N 3.31Å; Y356-E358 PolarHBondContact O-N 3.11Å; E358-F360 PolarHBondContact O-N 2.83Å; E358-A361 WeakPolarHBondContact O-CB 3.06Å; E358-A361 PolarHBondContact O-N 3.17Å
359Y98.4Very high94.9Very high7 Ų747.4 Ų47.43%0.02723%0.232CC..THydrogen-bonded Turntrans-69.1-11.1178.3-74.3-91.8000114.9I310 H328 I331 Y345 L349 Y356 N357 W362I310-Y359 HydrophobicContact CD1-CD1 4.43Å; I310-Y359 HydrophobicContact CD1-CD2 3.84Å; I310-Y359 HydrophobicContact CD1-CG 3.7Å; I310-Y359 HydrophobicContact CG1-CG 4.26Å; I310-Y359 HydrophobicContact CG2-CD1 3.92Å; I310-Y359 HydrophobicContact CG2-CE1 4.41Å; I310-Y359 HydrophobicContact CG2-CG 4.23Å; H328-Y359 WeakPolarHBondContact O-CA 3.27Å; H328-Y359 WeakPolarHBondContact O-CD1 3.05Å; I331-Y359 HydrophobicContact CD1-CE1 4.37Å; I331-Y359 HydrophobicContact CG1-CD1 4.41Å; I331-Y359 HydrophobicContact CG1-CE1 3.58Å; Y345-Y359 WeakPolarHBondContact CE1-OH 3.34Å; Y345-Y359 PolarHBondContact OH-OH 3.44Å; L349-Y359 HydrophobicContact CD1-CD2 4.36Å; L349-Y359 HydrophobicContact CD1-CE2 3.77Å; L349-Y359 HydrophobicContact CD2-CE2 3.98Å; Y356-Y359 PolarHBondContact O-N 2.94Å; N357-Y359 PolarHBondContact O-N 3.01Å; Y359-W362 PolarHBondContact O-NE1 3.35Å; Y359-W362 VanDerWaalsContact O-NE1 3.12Å
360F97.9Very high93Very high5 Ų548.9 Ų48.92%0.02225%0.245CC..THydrogen-bonded Turntrans-112.12.9-178.5-65.5-82.4000113P216 Y220 N308 I310 Y356 N357 E358 W362 H363P216-F360 HydrophobicContact CG-CB 4.19Å; Y220-F360 HydrophobicContact CD1-CB 4.41Å; Y220-F360 AromaticContact CD1-CD1 3.73Å; Y220-F360 HydrophobicContact CD1-CD1 3.73Å; Y220-F360 HydrophobicContact CD1-CE1 4.17Å; Y220-F360 HydrophobicContact CD1-CG 4.04Å; Y220-F360 HydrophobicContact CD2-CB 3.35Å; Y220-F360 HydrophobicContact CD2-CD1 4.2Å; Y220-F360 HydrophobicContact CD2-CD2 4.31Å; Y220-F360 AromaticContact CD2-CG 3.71Å; Y220-F360 HydrophobicContact CD2-CG 3.71Å; Y220-F360 HydrophobicContact CE1-CD1 4.14Å; Y220-F360 HydrophobicContact CE2-CB 3.64Å; Y220-F360 HydrophobicContact CE2-CG 4.3Å; Y220-F360 HydrophobicContact CG-CB 3.78Å; Y220-F360 AromaticContact CG-CD1 3.75Å; Y220-F360 HydrophobicContact CG-CD1 3.75Å; Y220-F360 HydrophobicContact CG-CD2 4.01Å; Y220-F360 HydrophobicContact CG-CE1 4.34Å; Y220-F360 AromaticContact CG-CG 3.55Å; Y220-F360 HydrophobicContact CG-CG 3.55Å; N308-F360 VanDerWaalsContact C-CE1 3.5Å; N308-F360 HydrophobicContact CB-CE1 4.41Å; I310-F360 HydrophobicContact CD1-CE2 3.86Å; I310-F360 HydrophobicContact CD1-CZ 4.44Å; I310-F360 HydrophobicContact CG1-CD2 4.44Å; I310-F360 HydrophobicContact CG1-CE2 3.42Å; I310-F360 VanDerWaalsContact CG1-CE2 3.42Å; I310-F360 HydrophobicContact CG1-CZ 3.53Å; Y356-F360 HydrophobicContact CD1-CD2 4.4Å; Y356-F360 HydrophobicContact CD1-CE2 4.04Å; Y356-F360 HydrophobicContact CE1-CD2 4.03Å; Y356-F360 AromaticContact CE1-CE2 3.36Å; Y356-F360 HydrophobicContact CE1-CE2 3.36Å; Y356-F360 HydrophobicContact CE1-CZ 4.18Å; Y356-F360 HydrophobicContact CE2-CE2 4.15Å; Y356-F360 AromaticContact CZ-CE2 3.44Å; Y356-F360 VanDerWaalsContact CZ-CE2 3.44Å; Y356-F360 AromaticContact CZ-CZ 3.94Å; N357-F360 PolarHBondContact O-N 3.23Å; E358-F360 PolarHBondContact O-N 2.83Å; F360-W362 PolarHBondContact O-N 2.74Å; F360-W362 VanDerWaalsContact O-N 3.09Å; F360-H363 AromaticContact CD1-CD2 3.82Å; F360-H363 AromaticContact CD1-NE2 3.72Å; F360-H363 PolarHBondContact O-N 3.37Å
361A97.4Very high91.1Very high7 Ų748.8 Ų48.86%0.05824%0.241CC..G310 helixtrans-57.7-24.7179.800000113.3K214 E358 H363 H365K214-A361 VanDerWaalsContact O-CB 3.25Å; K214-A361 WeakPolarHBondContact O-CB 3.48Å; E358-A361 WeakPolarHBondContact O-CB 3.06Å; E358-A361 PolarHBondContact O-N 3.17Å; A361-H363 VanDerWaalsContact C-N 3.33Å; A361-H363 PolarHBondContact O-N 3.33Å; A361-H365 PolarHBondContact O-CD2 2.61Å; A361-H365 VanDerWaalsContact O-CD2 3.25Å
362W96.2Very high89.5Confident8 Ų842.7 Ų42.73%0.0323%0.23CC..G310 helixtrans-70.5-19.318065.1-92.9000115Y200 Y213 F305 P326 Y359 F360 E364 H365 G366 I368Y200-W362 HydrophobicContact CD2-CE3 4.26Å; Y200-W362 AromaticContact CE2-CE3 3.86Å; Y200-W362 HydrophobicContact CE2-CE3 3.86Å; Y200-W362 HydrophobicContact CE2-CZ3 4.49Å; Y213-W362 HydrophobicContact CD2-CB 4.12Å; Y213-W362 HydrophobicContact CE2-CB 4.17Å; F305-W362 HydrophobicContact CB-CH2 4.17Å; F305-W362 HydrophobicContact CB-CZ2 4.1Å; F305-W362 AromaticContact CD1-CZ2 3.99Å; F305-W362 HydrophobicContact CD1-CZ2 3.99Å; F305-W362 HydrophobicContact CG-CZ2 4.25Å; P326-W362 HydrophobicContact CB-CB 3.54Å; P326-W362 HydrophobicContact CB-CD2 3.54Å; P326-W362 HydrophobicContact CB-CE3 3.94Å; P326-W362 HydrophobicContact CB-CG 3.34Å; P326-W362 HydrophobicContact CG-CD2 3.56Å; P326-W362 HydrophobicContact CG-CE3 3.74Å; P326-W362 HydrophobicContact CG-CG 3.93Å; P326-W362 HydrophobicContact CG-CH2 4.43Å; P326-W362 HydrophobicContact CG-CZ2 4.29Å; P326-W362 HydrophobicContact CG-CZ3 4.18Å; Y359-W362 PolarHBondContact O-NE1 3.35Å; Y359-W362 VanDerWaalsContact O-NE1 3.12Å; F360-W362 PolarHBondContact O-N 2.74Å; F360-W362 VanDerWaalsContact O-N 3.09Å; W362-E364 PolarHBondContact O-N 2.83Å; W362-E364 VanDerWaalsContact O-N 3.13Å; W362-H365 PolarHBondContact O-N 2.77Å; W362-G366 PolarHBondContact O-N 3.35Å; W362-I368 HydrophobicContact CH2-CD1 4.37Å; W362-I368 HydrophobicContact CH2-CG1 3.87Å; W362-I368 HydrophobicContact CZ3-CD1 4.28Å; W362-I368 HydrophobicContact CZ3-CG1 3.96Å
363H94.6Very high88.1Confident47 Ų4741.6 Ų41.622%0.21823%0.226CC..G310 helixtrans-60.2-27.1-171.6-92.3-70000114.6Y220 N308 F360 A361Y220-H363 AromaticContact CE1-CD2 3.7Å; Y220-H363 AromaticContact CE1-NE2 3.77Å; Y220-H363 AromaticContact CZ-CD2 3.43Å; Y220-H363 VanDerWaalsContact CZ-CD2 3.43Å; Y220-H363 AromaticContact CZ-CG 3.94Å; Y220-H363 AromaticContact CZ-NE2 4Å; Y220-H363 WeakPolarHBondContact OH-CB 3.09Å; Y220-H363 PolarHBondContact OH-CD2 2.75Å; Y220-H363 VanDerWaalsContact OH-CD2 3.27Å; Y220-H363 VanDerWaalsContact OH-CG 3.29Å; N308-H363 PolarHBondContact OD1-CE1 2.88Å; N308-H363 PolarHBondContact OD1-NE2 3.27Å; F360-H363 AromaticContact CD1-CD2 3.82Å; F360-H363 AromaticContact CD1-NE2 3.72Å; F360-H363 PolarHBondContact O-N 3.37Å; A361-H363 VanDerWaalsContact C-N 3.33Å; A361-H363 PolarHBondContact O-N 3.33Å
364E92Very high87.1Confident107 Ų10738 Ų3850%0.521%0.209SC..G310 helixtrans-90.3-1.7179-63.1177.5-171.900112.5S217 W362S217-E364 PolarHBondContact N-OE1 3.02Å; S217-E364 PolarHBondContact OG-OE1 3Å; W362-E364 PolarHBondContact O-N 2.83Å; W362-E364 VanDerWaalsContact O-N 3.13Å
365H94.1Very high86.6Confident52 Ų5234.1 Ų34.124%0.24119%0.185CC..SBendtrans-126.57.9-167.1-60.1-58.7000114.6Y200 P202 S203 Y213 A361 W362Y200-H365 VanDerWaalsContact OH-C 3.29Å; Y200-H365 PolarHBondContact OH-O 3.49Å; P202-H365 WeakPolarHBondContact CA-O 3.5Å; S203-H365 PolarHBondContact N-O 3.23Å; S203-H365 VanDerWaalsContact OG-C 3.3Å; S203-H365 PolarHBondContact OG-O 2.71Å; Y213-H365 HydrophobicContact CD1-CB 3.92Å; Y213-H365 AromaticContact CD1-CD2 3.15Å; Y213-H365 WeakPolarHBondContact CD1-CD2 3.45Å; Y213-H365 AromaticContact CD1-CG 3.49Å; Y213-H365 VanDerWaalsContact CD1-CG 3.49Å; Y213-H365 AromaticContact CD1-NE2 3.67Å; Y213-H365 HydrophobicContact CD2-CB 4.38Å; Y213-H365 AromaticContact CD2-CD2 3.97Å; Y213-H365 HydrophobicContact CE1-CB 3.53Å; Y213-H365 AromaticContact CE1-CD2 3.74Å; Y213-H365 AromaticContact CE1-CG 3.57Å; Y213-H365 HydrophobicContact CE2-CB 4.02Å; Y213-H365 HydrophobicContact CG-CB 4.33Å; Y213-H365 AromaticContact CG-CD2 3.29Å; Y213-H365 AromaticContact CG-CG 3.98Å; Y213-H365 AromaticContact CG-NE2 3.98Å; A361-H365 PolarHBondContact O-CD2 2.61Å; A361-H365 VanDerWaalsContact O-CD2 3.25Å; W362-H365 PolarHBondContact O-N 2.77Å
366G92Very high86Confident6 Ų634.5 Ų34.56%0.06219%0.186CC..EExtended strand (participates in β ladder)trans175.2-176.317400000112.2Y200 V201 S203 W362Y200-G366 PolarHBondContact OH-N 2.86Å; V201-G366 CarbonylContact O-C 3.58Å; V201-G366 WeakPolarHBondContact O-CA 3.49Å; S203-G366 PolarHBondContact OG-N 2.63Å; W362-G366 PolarHBondContact O-N 3.35Å
367T91Very high85.4Confident76 Ų7635.4 Ų35.447%0.46619%0.192SC..EExtended strand (participates in β ladder)trans-134.6149.3-175.555.60000111Y200 V201 A370Y200-T367 WeakPolarHBondContact CA-O 3.22Å; V201-T367 PolarHBondContact N-O 3.17Å; V201-T367 PolarHBondContact O-N 2.81Å; T367-A370 WeakPolarHBondContact OG1-CB 3.44Å
368I87.2Confident84.8Confident30 Ų3035.4 Ų35.415%0.15419%0.193CC..EExtended strand (participates in β ladder)trans-87.9141.3166.2-58.9-56.4000107.6N199 Y200 F301 F305 P326 W362 A370N199-I368 WeakPolarHBondContact O-CA 3.09Å; Y200-I368 HydrophobicContact CD2-CD1 3.96Å; Y200-I368 HydrophobicContact CG-CD1 4.39Å; F301-I368 HydrophobicContact CB-CG2 4.21Å; F301-I368 HydrophobicContact CD1-CD1 3.96Å; F301-I368 HydrophobicContact CD1-CG2 3.85Å; F301-I368 HydrophobicContact CE1-CD1 4.2Å; F305-I368 HydrophobicContact CB-CD1 4.4Å; F305-I368 HydrophobicContact CB-CG1 4.03Å; F305-I368 HydrophobicContact CD2-CD1 4.05Å; F305-I368 HydrophobicContact CG-CD1 4.5Å; P326-I368 HydrophobicContact CG-CD1 3.95Å; W362-I368 HydrophobicContact CH2-CD1 4.37Å; W362-I368 HydrophobicContact CH2-CG1 3.87Å; W362-I368 HydrophobicContact CZ3-CD1 4.28Å; W362-I368 HydrophobicContact CZ3-CG1 3.96Å; I368-A370 VanDerWaalsContact C-N 3.34Å; I368-A370 PolarHBondContact O-N 3.5Å
369D71.7Confident84.4Confident66 Ų6631.3 Ų31.335%0.35317%0.174SC..SBendtrans62.133.5174.2-57.5-24.1000115.2H198 N199 W371H198-D369 VanDerWaalsContact CB-OD1 3.25Å; H198-D369 WeakPolarHBondContact CB-OD1 3.42Å; H198-D369 IonicContact CE1-OD1 3.59Å; H198-D369 IonicContact CE1-OD2 2.69Å; H198-D369 PolarHBondContact CE1-OD2 3.21Å; H198-D369 VanDerWaalsContact CE1-OD2 3.29Å; H198-D369 IonicContact CG-OD1 2.69Å; H198-D369 VanDerWaalsContact CG-OD1 3.31Å; H198-D369 IonicContact CG-OD2 3.07Å; H198-D369 IonicContact ND1-OD1 2.66Å; H198-D369 PolarHBondContact ND1-OD1 2.86Å; H198-D369 IonicContact ND1-OD2 2.62Å; H198-D369 PolarHBondContact ND1-OD2 3.35Å; N199-D369 PolarHBondContact O-N 2.86Å; D369-W371 PolarHBondContact O-N 3.01Å; D369-W371 VanDerWaalsContact O-N 3.15Å
370A57.6Low84Confident32 Ų3231 Ų3126%0.26417%0.172SC..  trans-58.9-26.1173.700000112.8K75 V201 T367 I368K75-A370 WeakPolarHBondContact CE-O 3.1Å; V201-A370 HydrophobicContact CB-CB 3.87Å; V201-A370 HydrophobicContact CG1-CB 4.42Å; V201-A370 HydrophobicContact CG2-CB 3.72Å; T367-A370 WeakPolarHBondContact OG1-CB 3.44Å; I368-A370 VanDerWaalsContact C-N 3.34Å; I368-A370 PolarHBondContact O-N 3.5Å
371W58.7Low83.4Confident42 Ų4231.6 Ų31.616%0.15918%0.176CC..  trans-124.3131.7-176165.445.1000111.4K75 E77 N78 D369 P373K75-W371 VanDerWaalsContact O-CD1 3.25Å; E77-W371 WeakPolarHBondContact O-CH2 3.27Å; E77-W371 WeakPolarHBondContact O-CZ2 3.44Å; E77-W371 VanDerWaalsContact O-CZ3 3.26Å; E77-W371 WeakPolarHBondContact O-CZ3 3.5Å; N78-W371 VanDerWaalsContact CA-CH2 3.46Å; N78-W371 HydrophobicContact CB-CH2 4.3Å; N78-W371 HydrophobicContact CB-CZ2 4Å; D369-W371 PolarHBondContact O-N 3.01Å; D369-W371 VanDerWaalsContact O-N 3.15Å; W371-P373 HydrophobicContact CH2-CB 3.74Å; W371-P373 HydrophobicContact CZ2-CB 3.27Å; W371-P373 HydrophobicContact CZ2-CG 4.34Å
372S63.5Low83Confident75 Ų7531.3 Ų31.352%0.52417%0.173SC..  trans-95.6111.7165.6-177.70000109M374S372-M374 PolarHBondContact O-N 3.28Å
373P68.4Low82.8Confident28 Ų2831.3 Ų31.318%0.18218%0.175CC..  trans-57.4137.2174.821.9-31.6000112.5N78 L195 W371 P375N78-P373 WeakPolarHBondContact OD1-CB 3.45Å; L195-P373 HydrophobicContact CD1-CB 3.28Å; L195-P373 HydrophobicContact CD1-CG 3.4Å; W371-P373 HydrophobicContact CH2-CB 3.74Å; W371-P373 HydrophobicContact CZ2-CB 3.27Å; W371-P373 HydrophobicContact CZ2-CG 4.34Å; P373-P375 VanDerWaalsContact C-CD 3.49Å; P373-P375 WeakPolarHBondContact O-CD 3.09Å
374M77.4Confident82.5Confident23 Ų2329.8 Ų29.811%0.11317%0.168CC..  trans-126.369.3-178.2-71.3-178.3168.300109.6Y76 N78 F121 S372 Q376 C377Y76-M374 HydrophobicContact CD1-CE 3.38Å; Y76-M374 HydrophobicContact CD1-CG 4.13Å; Y76-M374 HydrophobicContact CD1-SD 3.28Å; Y76-M374 WeakPolarHBondContact CD1-SD 3.08Å; Y76-M374 HydrophobicContact CD2-SD 4.1Å; Y76-M374 HydrophobicContact CE1-CE 3.1Å; Y76-M374 HydrophobicContact CE1-SD 3.7Å; Y76-M374 HydrophobicContact CE2-CE 4.34Å; Y76-M374 HydrophobicContact CE2-SD 4.43Å; Y76-M374 HydrophobicContact CG-CE 4.12Å; Y76-M374 HydrophobicContact CG-SD 3.51Å; Y76-M374 VanDerWaalsContact CG-SD 3.51Å; N78-M374 PolarHBondContact ND2-O 3.29Å; N78-M374 PolarHBondContact OD1-N 2.97Å; F121-M374 HydrophobicContact CD2-CE 4.21Å; F121-M374 HydrophobicContact CD2-SD 3.92Å; F121-M374 HydrophobicContact CE2-CE 3.7Å; F121-M374 HydrophobicContact CE2-CG 4.22Å; F121-M374 HydrophobicContact CE2-SD 3.36Å; F121-M374 WeakPolarHBondContact CE2-SD 3.3Å; F121-M374 HydrophobicContact CZ-CE 4.19Å; F121-M374 HydrophobicContact CZ-SD 4.27Å; S372-M374 PolarHBondContact O-N 3.28Å; M374-Q376 PolarHBondContact O-N 3.43Å; M374-Q376 VanDerWaalsContact O-N 3.16Å; M374-C377 PolarHBondContact O-N 3.28Å; M374-C377 VanDerWaalsContact O-N 3.17Å
375P86.7Confident82.1Confident0 Ų024.8 Ų24.80%015%0.145CC..Hα-helixtrans-57.3-30.9-178.222.8-33.3000112.2I115 I116 F163 I185 L195 P373 C377 V378 I379I115-P375 HydrophobicContact CD1-CG 3.52Å; I115-P375 HydrophobicContact CG1-CG 4.12Å; I116-P375 HydrophobicContact CG1-CG 4.46Å; F163-P375 HydrophobicContact CE2-CG 4.29Å; I185-P375 HydrophobicContact CD1-CB 4.32Å; I185-P375 HydrophobicContact CG2-CB 3.96Å; L195-P375 HydrophobicContact CD1-CG 4.25Å; L195-P375 HydrophobicContact CD2-CG 4.21Å; P373-P375 VanDerWaalsContact C-CD 3.49Å; P373-P375 WeakPolarHBondContact O-CD 3.09Å; P375-C377 VanDerWaalsContact C-N 3.29Å; P375-C377 PolarHBondContact O-N 2.88Å; P375-V378 PolarHBondContact O-N 3.46Å; P375-V378 VanDerWaalsContact O-N 3.14Å; P375-I379 HydrophobicContact CB-CD1 4.32Å; P375-I379 WeakPolarHBondContact O-CD1 3.25Å; P375-I379 WeakPolarHBondContact O-CG1 3.41Å; P375-I379 PolarHBondContact O-N 3.21Å
376Q87.2Confident81.8Confident13 Ų1323 Ų236%0.06114%0.139CC..Hα-helixtrans-53.9-39.4176.663.9-84.13000113.8I115 I116 F119 F121 M374 C380I115-Q376 PolarHBondContact O-NE2 3.08Å; I115-Q376 PolarHBondContact O-OE1 2.85Å; I116-Q376 HydrophobicContact CB-CB 4.17Å; I116-Q376 HydrophobicContact CG1-CB 4.1Å; I116-Q376 HydrophobicContact CG2-CB 3.8Å; F119-Q376 HydrophobicContact CD1-CB 3.99Å; F119-Q376 WeakPolarHBondContact CD1-O 3.38Å; F119-Q376 HydrophobicContact CE1-CB 3.65Å; F119-Q376 VanDerWaalsContact CE1-O 3.28Å; F119-Q376 WeakPolarHBondContact CE1-O 3.43Å; F119-Q376 HydrophobicContact CZ-CB 4.32Å; F121-Q376 HydrophobicContact CE2-CG 4.46Å; F121-Q376 HydrophobicContact CZ-CG 4.24Å; M374-Q376 PolarHBondContact O-N 3.43Å; M374-Q376 VanDerWaalsContact O-N 3.16Å; Q376-C380 WeakPolarHBondContact O-CB 3.38Å; Q376-C380 PolarHBondContact O-N 2.03Å
377C85.1Confident81.5Confident19 Ų1928.8 Ų28.813%0.12816%0.164CC..Hα-helixtrans-72-38.3-179.5-62.30000111.2F121 C122 M374 P375 L381F121-C377 VanDerWaalsContact CE2-SG 3.58Å; C122-C377 WeakPolarHBondContact CA-SG 3.27Å; C122-C377 HydrophobicContact CB-CB 3.63Å; C122-C377 WeakPolarHBondContact CB-SG 3.37Å; C122-C377 WeakPolarHBondContact SG-CA 3.37Å; C122-C377 WeakPolarHBondContact SG-CB 3.39Å; C122-C377 CovalentContact SG-SG 2.05Å; C122-C377 PolarHBondContact SG-SG 2.83Å; M374-C377 PolarHBondContact O-N 3.28Å; M374-C377 VanDerWaalsContact O-N 3.17Å; P375-C377 VanDerWaalsContact C-N 3.29Å; P375-C377 PolarHBondContact O-N 2.88Å; C377-L381 WeakPolarHBondContact O-CB 3.44Å; C377-L381 PolarHBondContact O-N 3.3Å
378V85.1Confident81.1Confident14 Ų1430.2 Ų30.29%0.08516%0.164CC..Hα-helixtrans-70.8-40176.6-178.40000111N78 I80 I193 P375 L381 L382N78-V378 HydrophobicContact CB-CG2 4.08Å; N78-V378 VanDerWaalsContact ND2-CG2 3.34Å; N78-V378 WeakPolarHBondContact ND2-CG2 3.42Å; I80-V378 HydrophobicContact CD1-CG1 3.6Å; I80-V378 HydrophobicContact CD1-CG2 4.06Å; I80-V378 HydrophobicContact CG1-CG1 4.14Å; I193-V378 HydrophobicContact CD1-CB 4.03Å; I193-V378 HydrophobicContact CD1-CG1 3.43Å; I193-V378 VanDerWaalsContact CD1-CG1 3.43Å; I193-V378 HydrophobicContact CG1-CG1 3.96Å; P375-V378 PolarHBondContact O-N 3.46Å; P375-V378 VanDerWaalsContact O-N 3.14Å; V378-L381 PolarHBondContact O-N 2.87Å; V378-L382 HydrophobicContact CG1-CD1 3.94Å; V378-L382 HydrophobicContact CG1-CG 4.32Å; V378-L382 WeakPolarHBondContact O-CB 3.45Å; V378-L382 VanDerWaalsContact O-CG 3.27Å; V378-L382 WeakPolarHBondContact O-CG 3.33Å; V378-L382 PolarHBondContact O-N 3.43Å
379I91Very high80.8Confident0 Ų029.7 Ų29.70%016%0.161CC..Hα-helixtrans-60.5-50.2175-65.7159000110.2I105 I116 V141 I143 F161 I185 P375 L381 L382 A383I105-I379 HydrophobicContact CD1-CG2 3.75Å; I105-I379 HydrophobicContact CG1-CG2 4.28Å; I105-I379 HydrophobicContact CG2-CG2 4.29Å; I116-I379 HydrophobicContact CD1-CD1 3.35Å; I116-I379 HydrophobicContact CG1-CD1 4.23Å; V141-I379 HydrophobicContact CG1-CG2 4.11Å; I143-I379 HydrophobicContact CD1-CD1 3.9Å; I143-I379 HydrophobicContact CD1-CG2 4.45Å; F161-I379 HydrophobicContact CD1-CG1 4.21Å; F161-I379 HydrophobicContact CE1-CG1 3.9Å; F161-I379 HydrophobicContact CZ-CG1 4.42Å; F161-I379 HydrophobicContact CZ-CG2 4.29Å; I185-I379 HydrophobicContact CD1-CD1 3.51Å; I185-I379 HydrophobicContact CD1-CG1 3.6Å; P375-I379 HydrophobicContact CB-CD1 4.32Å; P375-I379 WeakPolarHBondContact O-CD1 3.25Å; P375-I379 WeakPolarHBondContact O-CG1 3.41Å; P375-I379 PolarHBondContact O-N 3.21Å; I379-L381 VanDerWaalsContact C-N 3.32Å; I379-L381 PolarHBondContact O-N 3.27Å; I379-L382 PolarHBondContact O-N 3.18Å; I379-A383 WeakPolarHBondContact O-CB 3.37Å; I379-A383 PolarHBondContact O-N 2.93Å
380C89.3Confident81.3Confident0 Ų035.2 Ų35.20%018%0.182CC..Hα-helixtrans-63.8-41.7-179-174.20000111.4F119 A124 C127 Q376 A383 H384F119-C380 HydrophobicContact CD1-CB 3.64Å; F119-C380 HydrophobicContact CE1-CB 3.94Å; A124-C380 PolarHBondContact O-SG 3.13Å; C127-C380 HydrophobicContact CB-CB 3.84Å; C127-C380 WeakPolarHBondContact CB-SG 3.47Å; C127-C380 WeakPolarHBondContact SG-CA 3.36Å; C127-C380 WeakPolarHBondContact SG-CB 3.38Å; C127-C380 CovalentContact SG-SG 2.03Å; C127-C380 PolarHBondContact SG-SG 3.07Å; Q376-C380 WeakPolarHBondContact O-CB 3.38Å; Q376-C380 PolarHBondContact O-N 2.03Å; C380-A383 WeakPolarHBondContact O-CB 3.22Å; C380-A383 PolarHBondContact O-N 3.13Å; C380-H384 PolarHBondContact O-CD2 3.01Å; C380-H384 VanDerWaalsContact O-CD2 3.27Å; C380-H384 PolarHBondContact O-N 2.74Å
381L85.2Confident82.6Confident18 Ų1839.7 Ų39.79%0.09421%0.209CC..Hα-helixtrans-56.4-53.3173.2179.963.2000111.3L92 A124 C377 V378 I379 A383 H384 T385L92-L381 HydrophobicContact CB-CD1 4.08Å; L92-L381 HydrophobicContact CB-CD2 4.13Å; L92-L381 HydrophobicContact CB-CG 4.33Å; L92-L381 HydrophobicContact CD1-CD2 4.46Å; L92-L381 HydrophobicContact CD2-CD1 4.11Å; L92-L381 HydrophobicContact CD2-CD2 4.14Å; L92-L381 HydrophobicContact CD2-CG 3.81Å; L92-L381 HydrophobicContact CG-CD2 4.49Å; L92-L381 WeakPolarHBondContact O-CD1 3.46Å; A124-L381 HydrophobicContact CB-CB 4.45Å; A124-L381 HydrophobicContact CB-CD1 4.34Å; C377-L381 WeakPolarHBondContact O-CB 3.44Å; C377-L381 PolarHBondContact O-N 3.3Å; V378-L381 PolarHBondContact O-N 2.87Å; I379-L381 VanDerWaalsContact C-N 3.32Å; I379-L381 PolarHBondContact O-N 3.27Å; L381-A383 VanDerWaalsContact C-N 3.31Å; L381-A383 PolarHBondContact O-N 3.5Å; L381-H384 PolarHBondContact O-N 2.73Å; L381-H384 VanDerWaalsContact O-N 3.08Å; L381-T385 HydrophobicContact CD1-CG2 4.16Å; L381-T385 WeakPolarHBondContact O-CG2 3.49Å; L381-T385 PolarHBondContact O-N 3.42Å; L381-T385 VanDerWaalsContact O-N 3.17Å; L381-T385 PolarHBondContact O-OG1 3.37Å
382L88.9Confident84Confident1 Ų141.6 Ų41.61%0.00522%0.216CC..Hα-helixtrans-61.4-35.8178.5-71.5171.8000112.8L82 F84 F161 Y183 I193 V378 I379 H384 T385 A386 L389L82-L382 HydrophobicContact CD1-CD2 4.33Å; F84-L382 HydrophobicContact CZ-CD2 4.13Å; F161-L382 HydrophobicContact CE1-CD1 3.96Å; F161-L382 HydrophobicContact CZ-CB 4.1Å; F161-L382 HydrophobicContact CZ-CD1 3.87Å; Y183-L382 HydrophobicContact CD2-CD1 3.95Å; Y183-L382 HydrophobicContact CE2-CB 4.29Å; Y183-L382 HydrophobicContact CE2-CD1 3.96Å; Y183-L382 HydrophobicContact CE2-CD2 4.33Å; Y183-L382 HydrophobicContact CE2-CG 4.43Å; Y183-L382 HydrophobicContact CG-CD1 4.22Å; I193-L382 HydrophobicContact CD1-CD1 4.15Å; V378-L382 HydrophobicContact CG1-CD1 3.94Å; V378-L382 HydrophobicContact CG1-CG 4.32Å; V378-L382 WeakPolarHBondContact O-CB 3.45Å; V378-L382 VanDerWaalsContact O-CG 3.27Å; V378-L382 WeakPolarHBondContact O-CG 3.33Å; V378-L382 PolarHBondContact O-N 3.43Å; I379-L382 PolarHBondContact O-N 3.18Å; L382-H384 PolarHBondContact O-N 2.84Å; L382-T385 PolarHBondContact O-N 2.81Å; L382-A386 WeakPolarHBondContact O-CB 3.31Å; L382-A386 PolarHBondContact O-N 2.87Å; L382-L389 HydrophobicContact CD2-CD1 4.03Å
383A91.9Very high85.3Confident8 Ų840.6 Ų40.67%0.06621%0.207CC..Hα-helixtrans-59.2-35.1175.200000112.4K103 V141 I379 C380 L381K103-A383 HydrophobicContact CB-CB 4Å; K103-A383 HydrophobicContact CD-CB 4.4Å; K103-A383 WeakPolarHBondContact CE-O 3.38Å; K103-A383 HydrophobicContact CG-CB 4Å; V141-A383 HydrophobicContact CG2-CB 3.55Å; I379-A383 WeakPolarHBondContact O-CB 3.37Å; I379-A383 PolarHBondContact O-N 2.93Å; C380-A383 WeakPolarHBondContact O-CB 3.22Å; C380-A383 PolarHBondContact O-N 3.13Å; L381-A383 VanDerWaalsContact C-N 3.31Å; L381-A383 PolarHBondContact O-N 3.5Å
384H88.2Confident86.4Confident16 Ų1640 Ų407%0.07420%0.202CC..Hα-helixtrans-84.3-19.2179.1-81.1-71.7000113.7V95 A101 K103 D126 C380 L381 L382 H387V95-H384 HydrophobicContact CG1-CB 4.33Å; A101-H384 PolarHBondContact O-CE1 2.59Å; K103-H384 WeakPolarHBondContact CG-CE1 3.13Å; K103-H384 WeakPolarHBondContact CG-NE2 3.48Å; D126-H384 PolarHBondContact O-NE2 3.4Å; D126-H384 VanDerWaalsContact O-NE2 3.13Å; C380-H384 PolarHBondContact O-CD2 3.01Å; C380-H384 VanDerWaalsContact O-CD2 3.27Å; C380-H384 PolarHBondContact O-N 2.74Å; L381-H384 PolarHBondContact O-N 2.73Å; L381-H384 VanDerWaalsContact O-N 3.08Å; L382-H384 PolarHBondContact O-N 2.84Å; H384-H387 PolarHBondContact O-CE1 2.9Å; H384-H387 PolarHBondContact O-ND1 3.43Å
385T85Confident87.1Confident2 Ų242.3 Ų42.31%0.01222%0.219CC..Hα-helixtrans-129.7-15-16462.50000115.4L92 V95 L381 L382 H387 K388L92-T385 VanDerWaalsContact CD2-CB 3.46Å; L92-T385 HydrophobicContact CD2-CG2 3.84Å; L92-T385 WeakPolarHBondContact CD2-OG1 3.48Å; V95-T385 HydrophobicContact CB-CG2 4.23Å; V95-T385 HydrophobicContact CG1-CG2 4.23Å; V95-T385 HydrophobicContact CG2-CG2 3.49Å; V95-T385 VanDerWaalsContact CG2-CG2 3.49Å; L381-T385 HydrophobicContact CD1-CG2 4.16Å; L381-T385 WeakPolarHBondContact O-CG2 3.49Å; L381-T385 PolarHBondContact O-N 3.42Å; L381-T385 VanDerWaalsContact O-N 3.17Å; L381-T385 PolarHBondContact O-OG1 3.37Å; L382-T385 PolarHBondContact O-N 2.81Å; T385-H387 PolarHBondContact O-N 3.3Å; T385-K388 WeakPolarHBondContact O-CB 3.45Å; T385-K388 PolarHBondContact O-N 2.83Å
386A87.3Confident87.4Confident15 Ų1546.5 Ų46.512%0.12424%0.241CC..THydrogen-bonded Turntrans-58.9-25.7-173.900000114.1L159 L382 K388 L389L159-A386 HydrophobicContact CD1-CB 3.67Å; L159-A386 HydrophobicContact CD2-CB 3.84Å; L159-A386 HydrophobicContact CG-CB 4.33Å; L382-A386 WeakPolarHBondContact O-CB 3.31Å; L382-A386 PolarHBondContact O-N 2.87Å; A386-K388 PolarHBondContact O-N 3.46Å; A386-L389 PolarHBondContact O-N 3.2Å
387H85.4Confident87.8Confident127 Ų12745.9 Ų45.959%0.58824%0.238SC*.THydrogen-bonded Turntrans-67.5-18.5174.867.6-89.4000113.8H384 T385H384-H387 PolarHBondContact O-CE1 2.9Å; H384-H387 PolarHBondContact O-ND1 3.43Å; T385-H387 PolarHBondContact O-N 3.3Å
388K81.7Confident88.2Confident106 Ų10645 Ų4546%0.46123%0.232SC..THydrogen-bonded Turntrans-88.4-22.6174.1-55.7-174178.1179.20112T385 A386T385-K388 WeakPolarHBondContact O-CB 3.45Å; T385-K388 PolarHBondContact O-N 2.83Å; A386-K388 PolarHBondContact O-N 3.46Å
389L82.1Confident88.6Confident18 Ų1851 Ų519%0.09426%0.257CS..SBendtrans-79.3158.6177.2-57.3177.2000110.2F84 D88 L382 A386F84-L389 HydrophobicContact CD1-CD2 4.47Å; F84-L389 HydrophobicContact CE1-CD1 3.62Å; F84-L389 HydrophobicContact CE1-CD2 3.93Å; F84-L389 HydrophobicContact CE1-CG 4.42Å; F84-L389 HydrophobicContact CZ-CD1 4.02Å; D88-L389 HydrophobicContact CB-CD2 4.22Å; L382-L389 HydrophobicContact CD2-CD1 4.03Å; A386-L389 PolarHBondContact O-N 3.2Å
390K82.5Confident88.8Confident183 Ų18352.7 Ų52.780%0.79626%0.263SS*.PPolyproline II helixtrans-57.9132.8167.1-175.5179178.1-179.10109Y392K390-Y392 PolarHBondContact O-N 3.1Å; K390-Y392 VanDerWaalsContact O-N 3.13Å
391P85Confident89.1Confident125 Ų12552.7 Ų52.781%0.81226%0.264SS*.PPolyproline II helixtrans-51.8123.6173.7-28.335.2000110.9
392Y86.5Confident89.6Confident82 Ų8252.7 Ų52.732%0.32226%0.263SS..  trans-124.8143.9-179.2176.9-100000110.3L82 N182 Y183 K390 F394L82-Y392 HydrophobicContact CD2-CD1 3.78Å; L82-Y392 HydrophobicContact CD2-CE1 3.87Å; L82-Y392 HydrophobicContact CD2-CG 4.24Å; N182-Y392 PolarHBondContact ND2-O 3.27Å; N182-Y392 WeakPolarHBondContact O-CD1 3.26Å; N182-Y392 WeakPolarHBondContact O-CE1 3.46Å; Y183-Y392 HydrophobicContact CD1-CD1 4.07Å; Y183-Y392 HydrophobicContact CD1-CE1 4.48Å; Y183-Y392 AromaticContact CE1-CD1 3.95Å; Y183-Y392 HydrophobicContact CE1-CD1 3.95Å; K390-Y392 PolarHBondContact O-N 3.1Å; K390-Y392 VanDerWaalsContact O-N 3.13Å; Y392-F394 HydrophobicContact CE1-CB 4.38Å
393T91.2Very high89.9Confident55 Ų5556.2 Ų56.234%0.33728%0.283SS..  trans-142.5128.7177.7-60.50000108.3N179 I181 P395N179-T393 HydrophobicContact CB-CG2 3.96Å; N179-T393 VanDerWaalsContact O-CG2 3.22Å; N179-T393 WeakPolarHBondContact O-CG2 3.37Å; I181-T393 CarbonylContact O-C 3.5Å; I181-T393 WeakPolarHBondContact O-CA 3.26Å; I181-T393 WeakPolarHBondContact O-CG2 3.39Å; T393-P395 WeakPolarHBondContact O-CD 2.87Å
394F92.7Very high90.1Very high15 Ų1556.3 Ų56.37%0.06628%0.284CS..  trans-71.3119.4178.5-162.7-79.1000109.6I181 T184 Y392 V397 W400I181-F394 HydrophobicContact CG2-CB 4.41Å; I181-F394 PolarHBondContact O-N 3.37Å; T184-F394 HydrophobicContact CG2-CB 4.31Å; T184-F394 HydrophobicContact CG2-CD1 4.1Å; T184-F394 HydrophobicContact CG2-CD2 3.78Å; T184-F394 HydrophobicContact CG2-CE1 4.41Å; T184-F394 HydrophobicContact CG2-CE2 4.1Å; T184-F394 HydrophobicContact CG2-CG 3.78Å; T184-F394 HydrophobicContact CG2-CZ 4.4Å; T184-F394 WeakPolarHBondContact OG1-CE2 3.16Å; Y392-F394 HydrophobicContact CE1-CB 4.38Å; F394-V397 HydrophobicContact CD1-CB 4.04Å; F394-V397 HydrophobicContact CD1-CG2 4.21Å; F394-W400 HydrophobicContact CE1-CB 4.07Å; F394-W400 AromaticContact CE1-CD2 3.51Å; F394-W400 HydrophobicContact CE1-CD2 3.51Å; F394-W400 AromaticContact CE1-CE2 3.97Å; F394-W400 AromaticContact CE1-CE3 3.77Å; F394-W400 HydrophobicContact CE1-CE3 3.77Å; F394-W400 AromaticContact CE1-CG 3.65Å; F394-W400 HydrophobicContact CE1-CG 3.65Å; F394-W400 HydrophobicContact CE1-CZ3 4.43Å; F394-W400 AromaticContact CZ-CD2 3.65Å; F394-W400 HydrophobicContact CZ-CD2 3.65Å; F394-W400 AromaticContact CZ-CE2 3.58Å; F394-W400 HydrophobicContact CZ-CE3 4.06Å; F394-W400 HydrophobicContact CZ-CG 4.01Å; F394-W400 HydrophobicContact CZ-CH2 4.37Å; F394-W400 AromaticContact CZ-CZ2 3.96Å; F394-W400 HydrophobicContact CZ-CZ2 3.96Å; F394-W400 HydrophobicContact CZ-CZ3 4.41Å; F394-W400 AromaticContact CZ-NE1 3.84Å
395P91.6Very high90.5Very high72 Ų7256.3 Ų56.347%0.46829%0.285SS..THydrogen-bonded Turntrans-70.6137.4-174.728.5-34.4000111.1T393 V397T393-P395 WeakPolarHBondContact O-CD 2.87Å; P395-V397 PolarHBondContact O-N 2.91Å
396N92.7Very high91Very high88 Ų8861 Ų6147%0.47131%0.314SS..THydrogen-bonded Turntrans46.742.4169.3-60.6-42.1000114.7S398 K399 W400N396-S398 VanDerWaalsContact C-N 3.26Å; N396-S398 PolarHBondContact O-N 2.79Å; N396-S398 VanDerWaalsContact O-N 3.15Å; N396-K399 HydrophobicContact CB-CB 4.37Å; N396-K399 PolarHBondContact O-N 3.06Å; N396-K399 VanDerWaalsContact O-N 3.09Å; N396-W400 WeakPolarHBondContact O-CB 3.46Å; N396-W400 PolarHBondContact O-N 3.45Å
397V94.6Very high91.4Very high0 Ų063.8 Ų63.80%034%0.344CS..Hα-helixtrans-50.8-41.3-173.4670000113.9V162 I173 L177 I181 T184 F394 P395 W400 W401V162-V397 HydrophobicContact CG2-CG2 4.15Å; I173-V397 HydrophobicContact CG2-CG1 4.4Å; L177-V397 HydrophobicContact CB-CG1 3.85Å; I181-V397 HydrophobicContact CB-CB 4.26Å; I181-V397 HydrophobicContact CB-CG1 4.09Å; I181-V397 HydrophobicContact CB-CG2 4.25Å; I181-V397 HydrophobicContact CG1-CB 4.23Å; I181-V397 HydrophobicContact CG1-CG1 3.6Å; I181-V397 HydrophobicContact CG1-CG2 4.2Å; I181-V397 HydrophobicContact CG2-CG2 4.25Å; T184-V397 HydrophobicContact CG2-CG2 3.84Å; F394-V397 HydrophobicContact CD1-CB 4.04Å; F394-V397 HydrophobicContact CD1-CG2 4.21Å; P395-V397 PolarHBondContact O-N 2.91Å; V397-W400 HydrophobicContact CG2-CE3 4.2Å; V397-W400 PolarHBondContact O-N 3.08Å; V397-W401 WeakPolarHBondContact O-CB 3.12Å; V397-W401 PolarHBondContact O-N 3.45Å
398S94.3Very high91.8Very high1 Ų161.3 Ų61.31%0.00733%0.33CS..Hα-helixtrans-64.7-46.8-178.8-43.90000110.9A174 N396 N402A174-S398 WeakPolarHBondContact O-CB 3.42Å; A174-S398 PolarHBondContact O-OG 3.17Å; N396-S398 VanDerWaalsContact C-N 3.26Å; N396-S398 PolarHBondContact O-N 2.79Å; N396-S398 VanDerWaalsContact O-N 3.15Å; S398-N402 WeakPolarHBondContact O-CB 3.34Å; S398-N402 PolarHBondContact O-N 3.44Å; S398-N402 PolarHBondContact O-ND2 3.25Å
399K94.3Very high92.5Very high138 Ų13864 Ų6460%0.634%0.341SS*.Hα-helixtrans-64.7-49.8175.4-172.3-177.5179-179.60111.3N396 W401 N402 D403N396-K399 HydrophobicContact CB-CB 4.37Å; N396-K399 PolarHBondContact O-N 3.06Å; N396-K399 VanDerWaalsContact O-N 3.09Å; K399-W401 VanDerWaalsContact C-N 3.27Å; K399-W401 PolarHBondContact O-N 3.22Å; K399-N402 PolarHBondContact O-N 3.33Å; K399-D403 WeakPolarHBondContact CE-OD2 3.07Å; K399-D403 WeakPolarHBondContact CG-OD2 3.48Å; K399-D403 VanDerWaalsContact O-CB 3.22Å; K399-D403 WeakPolarHBondContact O-CB 3.35Å; K399-D403 PolarHBondContact O-N 2.84Å
400W94.4Very high93.1Very high36 Ų3663.6 Ų63.614%0.13634%0.339CS..Hα-helixtrans-50.9-48178.8165.280000111.6T184 T186 R188 D190 F394 N396 V397T184-W400 HydrophobicContact CG2-CE3 4.44Å; T184-W400 HydrophobicContact CG2-CH2 4.21Å; T184-W400 HydrophobicContact CG2-CZ3 3.79Å; T186-W400 HydrophobicContact CG2-CH2 3.98Å; T186-W400 HydrophobicContact CG2-CZ3 4.33Å; R188-W400 HydrophobicContact CB-CH2 4.38Å; R188-W400 HydrophobicContact CB-CZ2 3.9Å; R188-W400 HydrophobicContact CG-CZ2 4.32Å; R188-W400 PolarHBondContact NH1-O 3.01Å; D190-W400 VanDerWaalsContact OD1-CZ2 3.31Å; D190-W400 WeakPolarHBondContact OD1-CZ2 3.41Å; D190-W400 PolarHBondContact OD1-NE1 2.95Å; D190-W400 VanDerWaalsContact OD1-NE1 3.15Å; D190-W400 PolarHBondContact OD2-NE1 3.24Å; F394-W400 HydrophobicContact CE1-CB 4.07Å; F394-W400 AromaticContact CE1-CD2 3.51Å; F394-W400 HydrophobicContact CE1-CD2 3.51Å; F394-W400 AromaticContact CE1-CE2 3.97Å; F394-W400 AromaticContact CE1-CE3 3.77Å; F394-W400 HydrophobicContact CE1-CE3 3.77Å; F394-W400 AromaticContact CE1-CG 3.65Å; F394-W400 HydrophobicContact CE1-CG 3.65Å; F394-W400 HydrophobicContact CE1-CZ3 4.43Å; F394-W400 AromaticContact CZ-CD2 3.65Å; F394-W400 HydrophobicContact CZ-CD2 3.65Å; F394-W400 AromaticContact CZ-CE2 3.58Å; F394-W400 HydrophobicContact CZ-CE3 4.06Å; F394-W400 HydrophobicContact CZ-CG 4.01Å; F394-W400 HydrophobicContact CZ-CH2 4.37Å; F394-W400 AromaticContact CZ-CZ2 3.96Å; F394-W400 HydrophobicContact CZ-CZ2 3.96Å; F394-W400 HydrophobicContact CZ-CZ3 4.41Å; F394-W400 AromaticContact CZ-NE1 3.84Å; N396-W400 WeakPolarHBondContact O-CB 3.46Å; N396-W400 PolarHBondContact O-N 3.45Å; V397-W400 HydrophobicContact CG2-CE3 4.2Å; V397-W400 PolarHBondContact O-N 3.08Å
401W95.3Very high93.7Very high1 Ų161.3 Ų61.30%0.00433%0.325CS..Hα-helixtrans-75.9-55.1179.7179.2-103.9000113V164 V166 P168 I171 I173 T186 Y187 R188 V397 K399 D403 G404V164-W401 HydrophobicContact CB-CH2 3.86Å; V164-W401 HydrophobicContact CB-CZ2 3.52Å; V164-W401 HydrophobicContact CG1-CZ2 4.38Å; V164-W401 HydrophobicContact CG2-CD2 3.71Å; V164-W401 VanDerWaalsContact CG2-CE2 3.43Å; V164-W401 HydrophobicContact CG2-CE3 3.81Å; V164-W401 HydrophobicContact CG2-CH2 3.39Å; V164-W401 HydrophobicContact CG2-CZ2 3.26Å; V164-W401 HydrophobicContact CG2-CZ3 3.67Å; V166-W401 VanDerWaalsContact O-CH2 3.25Å; V166-W401 WeakPolarHBondContact O-CH2 3.21Å; V166-W401 WeakPolarHBondContact O-CZ2 3.46Å; P168-W401 HydrophobicContact CB-CD2 4.49Å; P168-W401 HydrophobicContact CB-CG 4.44Å; P168-W401 VanDerWaalsContact CB-O 3.3Å; P168-W401 WeakPolarHBondContact CB-O 3.49Å; P168-W401 WeakPolarHBondContact CG-O 3.44Å; I171-W401 PolarHBondContact O-NE1 3.41Å; I173-W401 HydrophobicContact CG1-CB 4.16Å; I173-W401 VanDerWaalsContact CG1-CD1 3.45Å; I173-W401 HydrophobicContact CG1-CG 3.83Å; T186-W401 HydrophobicContact CG2-CE3 4.16Å; T186-W401 HydrophobicContact CG2-CH2 4.47Å; T186-W401 HydrophobicContact CG2-CZ3 3.81Å; Y187-W401 HydrophobicContact CD1-CH2 4.39Å; Y187-W401 AromaticContact CE1-CH2 3.54Å; Y187-W401 HydrophobicContact CE1-CH2 3.54Å; Y187-W401 HydrophobicContact CE1-CZ3 4.14Å; Y187-W401 AromaticContact CZ-CH2 3.74Å; R188-W401 HydrophobicContact CG-CZ3 4.2Å; V397-W401 WeakPolarHBondContact O-CB 3.12Å; V397-W401 PolarHBondContact O-N 3.45Å; K399-W401 VanDerWaalsContact C-N 3.27Å; K399-W401 PolarHBondContact O-N 3.22Å; W401-D403 VanDerWaalsContact C-N 3.26Å; W401-D403 PolarHBondContact O-N 2.68Å; W401-G404 PolarHBondContact O-N 2.77Å
402N95.1Very high94.2Very high17 Ų1757.3 Ų57.39%0.09129%0.294CS..Hα-helixtrans-63.7-31.4-172.1-66.6-22.4000112.3R172 I173 S398 K399 G404R172-N402 WeakPolarHBondContact CA-OD1 3.01Å; R172-N402 WeakPolarHBondContact CB-OD1 3.41Å; I173-N402 PolarHBondContact N-OD1 3.14Å; I173-N402 PolarHBondContact O-ND2 2.96Å; I173-N402 PolarHBondContact O-OD1 3.18Å; S398-N402 WeakPolarHBondContact O-CB 3.34Å; S398-N402 PolarHBondContact O-N 3.44Å; S398-N402 PolarHBondContact O-ND2 3.25Å; K399-N402 PolarHBondContact O-N 3.33Å; N402-G404 VanDerWaalsContact C-N 3.27Å; N402-G404 PolarHBondContact O-N 3.36Å
403D95.8Very high94.2Very high76 Ų7659.2 Ų59.241%0.40631%0.31SS..THydrogen-bonded Turntrans-83.3-0.4177.8-66-7.3000112.9K399 W401 C405 V406K399-D403 WeakPolarHBondContact CE-OD2 3.07Å; K399-D403 WeakPolarHBondContact CG-OD2 3.48Å; K399-D403 VanDerWaalsContact O-CB 3.22Å; K399-D403 WeakPolarHBondContact O-CB 3.35Å; K399-D403 PolarHBondContact O-N 2.84Å; W401-D403 VanDerWaalsContact C-N 3.26Å; W401-D403 PolarHBondContact O-N 2.68Å; D403-C405 PolarHBondContact O-N 2.85Å; D403-V406 HydrophobicContact CB-CB 4.44Å; D403-V406 HydrophobicContact CB-CG2 4.16Å; D403-V406 WeakPolarHBondContact O-CB 3.17Å; D403-V406 PolarHBondContact O-N 3.14Å
404G95.7Very high93.7Very high9 Ų960.4 Ų60.49%0.09331%0.311CS..THydrogen-bonded Turntrans-59.7-14.6-173.100000115.8C292 A293 W401 N402C292-G404 WeakPolarHBondContact CA-O 3.17Å; A293-G404 PolarHBondContact N-O 3.33Å; W401-G404 PolarHBondContact O-N 2.77Å; N402-G404 VanDerWaalsContact C-N 3.27Å; N402-G404 PolarHBondContact O-N 3.36Å
405C96.8Very high92.1Very high16 Ų1667.6 Ų67.611%0.10835%0.348CS..THydrogen-bonded Turntrans-112.3-5.6174.9-41.40000113.6P168 L169 L291 C292 D403 G407 R408P168-C405 VanDerWaalsContact CD-SG 3.5Å; P168-C405 WeakPolarHBondContact CG-SG 3.35Å; L169-C405 HydrophobicContact CD1-CB 4.3Å; L169-C405 HydrophobicContact CG-CB 4.42Å; L291-C405 WeakPolarHBondContact O-CA 3.06Å; L291-C405 VanDerWaalsContact O-CB 3.29Å; L291-C405 WeakPolarHBondContact O-CB 3.04Å; C292-C405 HydrophobicContact CB-CB 4.04Å; C292-C405 WeakPolarHBondContact CB-SG 3.47Å; C292-C405 WeakPolarHBondContact SG-CB 3.37Å; C292-C405 CovalentContact SG-SG 2.02Å; C292-C405 PolarHBondContact SG-SG 3.17Å; D403-C405 PolarHBondContact O-N 2.85Å; C405-G407 PolarHBondContact O-N 3.05Å; C405-R408 PolarHBondContact O-N 3.03Å
406V95.9Very high89.9Confident102 Ų10274.3 Ų74.362%0.61837%0.373SS*.THydrogen-bonded Turntrans-66.4134.4-172.1173.20000110.2D403 R408D403-V406 HydrophobicContact CB-CB 4.44Å; D403-V406 HydrophobicContact CB-CG2 4.16Å; D403-V406 WeakPolarHBondContact O-CB 3.17Å; D403-V406 PolarHBondContact O-N 3.14Å; V406-R408 PolarHBondContact O-N 3.23Å; V406-R408 VanDerWaalsContact O-N 3.14Å
407G94.8Very high89.7Confident73 Ų7373.7 Ų73.775%0.75337%0.368SS*.THydrogen-bonded Turntrans73.4-3177.600000115.4C405C405-G407 PolarHBondContact O-N 3.05Å
408R95.5Very high89.5Confident74 Ų7477.5 Ų77.528%0.27939%0.387SS..  trans-79.4128.5-178.9-60.6-171.663.4103.75.5110.9L291 E320 C405 V406L291-R408 HydrophobicContact CB-CB 4.12Å; L291-R408 WeakPolarHBondContact O-CB 3.42Å; E320-R408 IonicContact OE1-CZ 3.33Å; E320-R408 IonicContact OE1-NH1 2.85Å; E320-R408 PolarHBondContact OE1-NH1 3.41Å; E320-R408 IonicContact OE1-NH2 2.75Å; E320-R408 IonicContact OE2-CZ 3.47Å; E320-R408 IonicContact OE2-NH1 2.84Å; E320-R408 PolarHBondContact OE2-NH1 2.86Å; E320-R408 IonicContact OE2-NH2 3.81Å; E320-R408 PolarHBondContact OE2-NH2 2.8Å; C405-R408 PolarHBondContact O-N 3.03Å; V406-R408 PolarHBondContact O-N 3.23Å; V406-R408 VanDerWaalsContact O-N 3.14Å
409K95.3Very high89.2Confident162 Ų16281.8 Ų81.870%0.70441%0.409SS*.  trans-145.8157.4-179.761.3-178.7-179.8178.20110
410I95.6Very high88.9Confident10 Ų1078.5 Ų78.55%0.05140%0.397CS..  trans-78.5160.116761.3173.2000109.9P240 Y244 L291 M314 V333 D334 W412P240-I410 HydrophobicContact CG-CD1 3.78Å; P240-I410 HydrophobicContact CG-CG1 4.09Å; Y244-I410 HydrophobicContact CD2-CD1 3.64Å; Y244-I410 HydrophobicContact CE2-CD1 4.09Å; L291-I410 HydrophobicContact CD1-CG2 4.15Å; L291-I410 HydrophobicContact CD2-CG2 4.44Å; M314-I410 HydrophobicContact CE-CD1 3.91Å; M314-I410 HydrophobicContact CE-CG2 4.36Å; M314-I410 HydrophobicContact CG-CG2 3.93Å; M314-I410 HydrophobicContact SD-CG2 4.38Å; V333-I410 HydrophobicContact CG2-CG2 4.12Å; D334-I410 WeakPolarHBondContact OD1-CA 3.44Å; D334-I410 WeakPolarHBondContact OD1-CB 3.24Å; I410-W412 VanDerWaalsContact C-N 3.34Å; I410-W412 HydrophobicContact CD1-CB 4.29Å; I410-W412 HydrophobicContact CD1-CE3 4.15Å; I410-W412 PolarHBondContact O-N 2.82Å
411R95.2Very high88.5Confident135 Ų13581.1 Ų81.151%0.50941%0.414SS..SBendtrans-62.8-38.9178.3179.9-179.9177.9-177.2-2.3112.4D334 N413D334-R411 HydrophobicContact CB-CB 4.09Å; D334-R411 WeakPolarHBondContact O-CD 3.43Å; D334-R411 WeakPolarHBondContact OD1-CB 3.38Å; D334-R411 PolarHBondContact OD1-N 3.35Å; R411-N413 PolarHBondContact O-N 2.74Å
412W95Very high88.1Confident41 Ų4186.5 Ų86.516%0.15544%0.441CS..  trans-69.7113.9-177.4178.662000111.1I243 Y244 E247 P339 I410 F414I243-W412 HydrophobicContact CG2-CH2 4.24Å; I243-W412 HydrophobicContact CG2-CZ3 4.19Å; Y244-W412 HydrophobicContact CD2-CD2 4.28Å; Y244-W412 AromaticContact CD2-CE3 3.5Å; Y244-W412 HydrophobicContact CD2-CE3 3.5Å; Y244-W412 VanDerWaalsContact CD2-CE3 3.5Å; Y244-W412 AromaticContact CD2-CZ3 3.93Å; Y244-W412 HydrophobicContact CD2-CZ3 3.93Å; Y244-W412 HydrophobicContact CE2-CB 4.23Å; Y244-W412 HydrophobicContact CE2-CD2 4.36Å; Y244-W412 HydrophobicContact CE2-CE3 4Å; Y244-W412 HydrophobicContact CE2-CG 4.49Å; Y244-W412 HydrophobicContact CG-CE3 4.43Å; Y244-W412 HydrophobicContact CG-CZ3 4.45Å; E247-W412 HydrophobicContact CB-CH2 3.83Å; E247-W412 HydrophobicContact CB-CZ2 4.2Å; E247-W412 HydrophobicContact CG-CH2 3.99Å; E247-W412 HydrophobicContact CG-CZ2 3.83Å; P339-W412 VanDerWaalsContact CD-CE2 3.47Å; P339-W412 HydrophobicContact CG-CD2 3.95Å; P339-W412 HydrophobicContact CG-CE3 4.22Å; P339-W412 HydrophobicContact CG-CG 4.47Å; P339-W412 HydrophobicContact CG-CH2 4.2Å; P339-W412 HydrophobicContact CG-CZ2 3.98Å; P339-W412 HydrophobicContact CG-CZ3 4.33Å; I410-W412 VanDerWaalsContact C-N 3.34Å; I410-W412 HydrophobicContact CD1-CB 4.29Å; I410-W412 HydrophobicContact CD1-CE3 4.15Å; I410-W412 PolarHBondContact O-N 2.82Å; W412-F414 HydrophobicContact CE3-CB 4.34Å; W412-F414 HydrophobicContact CH2-CB 3.75Å; W412-F414 HydrophobicContact CZ2-CB 4.04Å; W412-F414 HydrophobicContact CZ3-CB 3.9Å; W412-F414 HydrophobicContact CZ3-CD1 4.39Å
413N86.9Confident87.6Confident123 Ų12391.4 Ų91.466%0.65847%0.466SS*.PPolyproline II helixtrans-85116.6171.4-67.1-35.7000108.9R411R411-N413 PolarHBondContact O-N 2.74Å
414F79.2Confident87Confident79 Ų7992.6 Ų92.635%0.34647%0.471SS..PPolyproline II helixtrans-85.6124.2168.456.6-84.6000108.7P240 I243 W412 H416P240-F414 HydrophobicContact CB-CE1 4.32Å; I243-F414 HydrophobicContact CD1-CE2 4.31Å; I243-F414 HydrophobicContact CG2-CB 4.48Å; I243-F414 HydrophobicContact CG2-CG 4.36Å; W412-F414 HydrophobicContact CE3-CB 4.34Å; W412-F414 HydrophobicContact CH2-CB 3.75Å; W412-F414 HydrophobicContact CZ2-CB 4.04Å; W412-F414 HydrophobicContact CZ3-CB 3.9Å; W412-F414 HydrophobicContact CZ3-CD1 4.39Å; F414-H416 AromaticContact CD2-CE1 3.89Å; F414-H416 AromaticContact CE2-CE1 3.61Å; F414-H416 AromaticContact CE2-NE2 3.43Å; F414-H416 WeakPolarHBondContact CE2-NE2 3.06Å
415I59.9Low86.2Confident166 Ų16699.6 Ų99.685%0.85150%0.502SS*.PPolyproline II helixtrans-88.1124.7164.2-57.9175000105.2
416H44.6Very low85.3Confident214 Ų214107.2 Ų107.299%0.99154%0.538SS*.  trans-63.70-178.5-87.9-56.1000113F414F414-H416 AromaticContact CD2-CE1 3.89Å; F414-H416 AromaticContact CE2-CE1 3.61Å; F414-H416 AromaticContact CE2-NE2 3.43Å; F414-H416 WeakPolarHBondContact CE2-NE2 3.06Å

Retrieved 416 of 416 residues in 675.7 ms (Link to these results)

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