A0A3Q0KJK9_SCHMA Loading...

Fucosyltransferase

AlphaFold DB , UniProt , Accession A0A3Q0KJK9, 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
1M60.3Low81.3Confident206 Ų206142.4 Ų142.4100%1.01567%0.665SS**  0-510-74.9175.863.500115.1R3 T4 R5M1-R3 PolarHBondContact O-N 3.06Å; M1-T4 PolarHBondContact O-N 2.79Å; M1-R5 PolarHBondContact O-N 3.34Å
2K70Confident82.1Confident197 Ų197137.7 Ų137.786%0.85765%0.653SS**Hα-helixtrans-55.5-42.4-178.5-84-176.9176.6178.40114.4R5 H6K2-R5 PolarHBondContact O-N 2.97Å; K2-H6 PolarHBondContact O-N 2.72Å; K2-H6 VanDerWaalsContact O-N 3.07Å
3R74.6Confident82.8Confident229 Ų229135.7 Ų135.786%0.86464%0.643SS**Hα-helixtrans-65-41.1-177.9-146175.5-173.1-179.51.2112.7M1 H6 L7M1-R3 PolarHBondContact O-N 3.06Å; R3-H6 PolarHBondContact O-N 2.96Å; R3-L7 PolarHBondContact O-N 2.83Å; R3-L7 VanDerWaalsContact O-N 3.07Å
4T80.2Confident83.5Confident92 Ų92133.8 Ų133.856%0.56464%0.638SS**Hα-helixtrans-66.3-43.7177-27.90000111.4M1 H6 L7 V8M1-T4 PolarHBondContact O-N 2.79Å; T4-H6 VanDerWaalsContact C-N 3.29Å; T4-H6 PolarHBondContact O-N 3.12Å; T4-L7 PolarHBondContact O-N 3.13Å; T4-V8 WeakPolarHBondContact O-CG2 3.37Å; T4-V8 PolarHBondContact O-N 3.42Å
5R80.4Confident83.9Confident206 Ų206128.5 Ų128.578%0.77763%0.625SS**Hα-helixtrans-59.1-41.7175.6-123.3-179.6176.8-179.4-1.2111.6M1 K2 V8 V9M1-R5 PolarHBondContact O-N 3.34Å; K2-R5 PolarHBondContact O-N 2.97Å; R5-V8 PolarHBondContact O-N 2.8Å; R5-V9 VanDerWaalsContact O-CG2 3.3Å; R5-V9 WeakPolarHBondContact O-CG2 3.39Å; R5-V9 PolarHBondContact O-N 2.7Å
6H81.6Confident84.3Confident114 Ų114125.3 Ų125.353%0.52862%0.615SS.*Hα-helixtrans-69.4-36.8-179.9-143.529000112.7K2 R3 T4 R10K2-H6 PolarHBondContact O-N 2.72Å; K2-H6 VanDerWaalsContact O-N 3.07Å; R3-H6 PolarHBondContact O-N 2.96Å; T4-H6 VanDerWaalsContact C-N 3.29Å; T4-H6 PolarHBondContact O-N 3.12Å; H6-R10 WeakPolarHBondContact O-CG 3.45Å; H6-R10 PolarHBondContact O-N 2.98Å; H6-R10 VanDerWaalsContact O-N 3.12Å
7L88.5Confident84.7Confident115 Ų115123.9 Ų123.960%0.60261%0.61SS**Hα-helixtrans-64.1-46.2174.1-169.473.4000111.4R3 T4 V9 R10 V11R3-L7 PolarHBondContact O-N 2.83Å; R3-L7 VanDerWaalsContact O-N 3.07Å; T4-L7 PolarHBondContact O-N 3.13Å; L7-V9 VanDerWaalsContact C-N 3.35Å; L7-V9 PolarHBondContact O-N 3.45Å; L7-R10 PolarHBondContact O-N 3.03Å; L7-V11 WeakPolarHBondContact O-CG2 3.42Å; L7-V11 PolarHBondContact O-N 2.84Å
8V89.4Confident85Confident84 Ų84122.9 Ų122.951%0.50961%0.606SS.*Hα-helixtrans-60.4-44.4178.2173.60000111.1T4 R5 R10 V11 V12T4-V8 WeakPolarHBondContact O-CG2 3.37Å; T4-V8 PolarHBondContact O-N 3.42Å; R5-V8 PolarHBondContact O-N 2.8Å; V8-R10 VanDerWaalsContact C-N 3.31Å; V8-R10 PolarHBondContact O-N 3.06Å; V8-V11 PolarHBondContact O-N 3.47Å; V8-V12 HydrophobicContact CG1-CG2 4.43Å; V8-V12 WeakPolarHBondContact O-CG2 3.03Å; V8-V12 PolarHBondContact O-N 3.22Å
9V89Confident85.3Confident72 Ų72123.2 Ų123.244%0.43660%0.604SS.*Hα-helixtrans-58.8-43.5176.2171.20000111.2R5 L7 V12 Q13R5-V9 VanDerWaalsContact O-CG2 3.3Å; R5-V9 WeakPolarHBondContact O-CG2 3.39Å; R5-V9 PolarHBondContact O-N 2.7Å; L7-V9 VanDerWaalsContact C-N 3.35Å; L7-V9 PolarHBondContact O-N 3.45Å; V9-V12 PolarHBondContact O-N 2.7Å; V9-Q13 HydrophobicContact CG1-CG 4.44Å; V9-Q13 WeakPolarHBondContact O-CB 3.43Å; V9-Q13 VanDerWaalsContact O-CG 3.3Å; V9-Q13 WeakPolarHBondContact O-CG 3.3Å; V9-Q13 PolarHBondContact O-N 3.36Å
10R88.8Confident85.4Confident159 Ų159121.6 Ų121.660%0.660%0.597SS**Hα-helixtrans-65.8-39.6178.4-73.7-176.9-179.1-164.1-0.7112.8H6 L7 V8 Q13 L14H6-R10 WeakPolarHBondContact O-CG 3.45Å; H6-R10 PolarHBondContact O-N 2.98Å; H6-R10 VanDerWaalsContact O-N 3.12Å; L7-R10 PolarHBondContact O-N 3.03Å; V8-R10 VanDerWaalsContact C-N 3.31Å; V8-R10 PolarHBondContact O-N 3.06Å; R10-Q13 PolarHBondContact O-N 3.26Å; R10-L14 WeakPolarHBondContact O-CB 3.46Å; R10-L14 PolarHBondContact O-N 3.04Å
11V91.5Very high85.3Confident92 Ų92118.6 Ų118.656%0.55859%0.588SS**Hα-helixtrans-65.1-43177.4172.50000110.8L7 V8 L14 A15L7-V11 WeakPolarHBondContact O-CG2 3.42Å; L7-V11 PolarHBondContact O-N 2.84Å; V8-V11 PolarHBondContact O-N 3.47Å; V11-L14 PolarHBondContact O-N 3Å; V11-A15 WeakPolarHBondContact O-CB 3.12Å; V11-A15 PolarHBondContact O-N 3.39Å
12V91.4Very high86.6Confident86 Ų86115.6 Ų115.652%0.52157%0.567SS.*Hα-helixtrans-64.2-44.4176.3173.80000111V8 V9 L14 A15 V16V8-V12 HydrophobicContact CG1-CG2 4.43Å; V8-V12 WeakPolarHBondContact O-CG2 3.03Å; V8-V12 PolarHBondContact O-N 3.22Å; V9-V12 PolarHBondContact O-N 2.7Å; V12-L14 VanDerWaalsContact C-N 3.32Å; V12-L14 PolarHBondContact O-N 3.48Å; V12-A15 PolarHBondContact O-N 3.16Å; V12-V16 HydrophobicContact CG1-CG2 4.48Å; V12-V16 WeakPolarHBondContact O-CG2 3.3Å; V12-V16 PolarHBondContact O-N 3.47Å
13Q90.8Very high87.2Confident112 Ų112108.1 Ų108.152%0.52354%0.535SS..Hα-helixtrans-59.1-43.6175.6-76.4175.6-32.300111.9V9 R10 V16 I17V9-Q13 HydrophobicContact CG1-CG 4.44Å; V9-Q13 WeakPolarHBondContact O-CB 3.43Å; V9-Q13 VanDerWaalsContact O-CG 3.3Å; V9-Q13 WeakPolarHBondContact O-CG 3.3Å; V9-Q13 PolarHBondContact O-N 3.36Å; R10-Q13 PolarHBondContact O-N 3.26Å; Q13-V16 PolarHBondContact O-N 2.99Å; Q13-I17 VanDerWaalsContact O-CG1 3.28Å; Q13-I17 WeakPolarHBondContact O-CG1 3.45Å; Q13-I17 PolarHBondContact O-N 3.07Å
14L92Very high87.3Confident109 Ų109102 Ų10257%0.57152%0.518SS*.Hα-helixtrans-64-43178.1-158.879.7000111.6R10 V11 V12 V16 I17 I18R10-L14 WeakPolarHBondContact O-CB 3.46Å; R10-L14 PolarHBondContact O-N 3.04Å; V11-L14 PolarHBondContact O-N 3Å; V12-L14 VanDerWaalsContact C-N 3.32Å; V12-L14 PolarHBondContact O-N 3.48Å; L14-V16 PolarHBondContact O-N 2.99Å; L14-I17 PolarHBondContact O-N 2.93Å; L14-I18 HydrophobicContact CD2-CD1 4.46Å; L14-I18 HydrophobicContact CG-CD1 4.23Å; L14-I18 VanDerWaalsContact O-CG1 3.28Å; L14-I18 WeakPolarHBondContact O-CG1 3.32Å; L14-I18 PolarHBondContact O-N 3.1Å
15A90.6Very high87.1Confident55 Ų55100.9 Ų100.946%0.45551%0.512SS..Hα-helixtrans-62.8-40.9177.500000112.2V11 V12 I18 F19V11-A15 WeakPolarHBondContact O-CB 3.12Å; V11-A15 PolarHBondContact O-N 3.39Å; V12-A15 PolarHBondContact O-N 3.16Å; A15-I18 PolarHBondContact O-N 3.25Å; A15-F19 WeakPolarHBondContact O-CB 3.39Å; A15-F19 PolarHBondContact O-N 2.88Å
16V90.6Very high87Confident76 Ų7696.3 Ų96.346%0.46150%0.495SS..Hα-helixtrans-63.9-42.8175.5171.80000111.1V12 Q13 L14 I18 F19 I20V12-V16 HydrophobicContact CG1-CG2 4.48Å; V12-V16 WeakPolarHBondContact O-CG2 3.3Å; V12-V16 PolarHBondContact O-N 3.47Å; Q13-V16 PolarHBondContact O-N 2.99Å; L14-V16 PolarHBondContact O-N 2.99Å; V16-I18 PolarHBondContact O-N 3.35Å; V16-F19 PolarHBondContact O-N 3.43Å; V16-I20 HydrophobicContact CG1-CD1 3.64Å; V16-I20 HydrophobicContact CG1-CG1 4.32Å; V16-I20 WeakPolarHBondContact O-CB 3.49Å; V16-I20 VanDerWaalsContact O-CG1 3.28Å; V16-I20 WeakPolarHBondContact O-CG1 3.43Å; V16-I20 PolarHBondContact O-N 3.33Å
17I90.7Very high86.3Confident102 Ų10295.7 Ų95.752%0.52349%0.494SS..Hα-helixtrans-62.7-43.8177.3-69164.8000111.1Q13 L14 S21Q13-I17 VanDerWaalsContact O-CG1 3.28Å; Q13-I17 WeakPolarHBondContact O-CG1 3.45Å; Q13-I17 PolarHBondContact O-N 3.07Å; L14-I17 PolarHBondContact O-N 2.93Å; I17-S21 VanDerWaalsContact O-CB 3.32Å; I17-S21 WeakPolarHBondContact O-CB 3.44Å; I17-S21 PolarHBondContact O-N 2.8Å; I17-S21 PolarHBondContact O-OG 2.82Å
18I90.6Very high85Confident106 Ų10695 Ų9554%0.54449%0.491SS..Hα-helixtrans-63.2-44.5178-68.1165.5000110.4L14 A15 V16 S21 Y22L14-I18 HydrophobicContact CD2-CD1 4.46Å; L14-I18 HydrophobicContact CG-CD1 4.23Å; L14-I18 VanDerWaalsContact O-CG1 3.28Å; L14-I18 WeakPolarHBondContact O-CG1 3.32Å; L14-I18 PolarHBondContact O-N 3.1Å; A15-I18 PolarHBondContact O-N 3.25Å; V16-I18 PolarHBondContact O-N 3.35Å; I18-S21 PolarHBondContact O-N 2.93Å; I18-Y22 WeakPolarHBondContact O-CB 3.04Å; I18-Y22 PolarHBondContact O-N 2.97Å
19F89.4Confident83.6Confident128 Ų12899.1 Ų99.156%0.56150%0.502SS*.Hα-helixtrans-64.9-45.4179.5-170.4-97.5000112.2A15 V16 S21 Y22 E23A15-F19 WeakPolarHBondContact O-CB 3.39Å; A15-F19 PolarHBondContact O-N 2.88Å; V16-F19 PolarHBondContact O-N 3.43Å; F19-S21 VanDerWaalsContact C-N 3.34Å; F19-S21 PolarHBondContact O-N 3.05Å; F19-Y22 PolarHBondContact O-N 3.21Å; F19-E23 HydrophobicContact CD1-CG 4.21Å; F19-E23 HydrophobicContact CE1-CG 3.79Å; F19-E23 HydrophobicContact CZ-CG 3.97Å; F19-E23 PolarHBondContact O-N 2.68Å
20I87.2Confident82.2Confident91 Ų91102.4 Ų102.447%0.46751%0.513SS..Hα-helixtrans-61.9-43.1175.8-70.2171.2000110.6V16 Y22 E23 L24V16-I20 HydrophobicContact CG1-CD1 3.64Å; V16-I20 HydrophobicContact CG1-CG1 4.32Å; V16-I20 WeakPolarHBondContact O-CB 3.49Å; V16-I20 VanDerWaalsContact O-CG1 3.28Å; V16-I20 WeakPolarHBondContact O-CG1 3.43Å; V16-I20 PolarHBondContact O-N 3.33Å; I20-Y22 VanDerWaalsContact C-N 3.33Å; I20-Y22 PolarHBondContact O-N 3.03Å; I20-E23 PolarHBondContact O-N 2.81Å; I20-L24 HydrophobicContact CG2-CD1 3.72Å; I20-L24 WeakPolarHBondContact O-CB 3.33Å; I20-L24 PolarHBondContact O-N 2.03Å
21S84Confident80Confident59 Ų59102 Ų10241%0.41351%0.512SS..Hα-helixtrans-63.3-41178-57.80000111.5I17 I18 F19 T25I17-S21 VanDerWaalsContact O-CB 3.32Å; I17-S21 WeakPolarHBondContact O-CB 3.44Å; I17-S21 PolarHBondContact O-N 2.8Å; I17-S21 PolarHBondContact O-OG 2.82Å; I18-S21 PolarHBondContact O-N 2.93Å; F19-S21 VanDerWaalsContact C-N 3.34Å; F19-S21 PolarHBondContact O-N 3.05Å; S21-T25 WeakPolarHBondContact O-CB 3.49Å; S21-T25 PolarHBondContact O-N 2.98Å; S21-T25 PolarHBondContact O-OG1 3.38Å
22Y87.1Confident77.7Confident144 Ų144103.8 Ų103.857%0.56551%0.513SS*.Hα-helixtrans-65.2-46.7176.5178.1-98.5000112I18 F19 I20 T25 R26I18-Y22 WeakPolarHBondContact O-CB 3.04Å; I18-Y22 PolarHBondContact O-N 2.97Å; F19-Y22 PolarHBondContact O-N 3.21Å; I20-Y22 VanDerWaalsContact C-N 3.33Å; I20-Y22 PolarHBondContact O-N 3.03Å; Y22-T25 PolarHBondContact O-N 3.09Å; Y22-R26 WeakPolarHBondContact O-CB 3.49Å; Y22-R26 PolarHBondContact O-N 3.24Å
23E83Confident75.3Confident40 Ų40104.6 Ų104.619%0.18751%0.506CS..Hα-helixtrans-67-38.7178.6-73.8-61.8149.400112.3F19 I20 R26 L27F19-E23 HydrophobicContact CD1-CG 4.21Å; F19-E23 HydrophobicContact CE1-CG 3.79Å; F19-E23 HydrophobicContact CZ-CG 3.97Å; F19-E23 PolarHBondContact O-N 2.68Å; I20-E23 PolarHBondContact O-N 2.81Å; E23-R26 PolarHBondContact O-N 2.75Å; E23-R26 IonicContact OE1-CZ 3.22Å; E23-R26 IonicContact OE1-NH1 3.94Å; E23-R26 PolarHBondContact OE1-NH1 3.46Å; E23-R26 IonicContact OE1-NH2 3.98Å; E23-R26 IonicContact OE2-CZ 2.77Å; E23-R26 IonicContact OE2-NE 2.74Å; E23-R26 PolarHBondContact OE2-NE 3.27Å; E23-R26 IonicContact OE2-NH1 3.08Å; E23-R26 IonicContact OE2-NH2 3.59Å; E23-R26 PolarHBondContact OE2-NH2 3.26Å; E23-L27 VanDerWaalsContact O-CB 3.3Å; E23-L27 WeakPolarHBondContact O-CB 3.45Å; E23-L27 WeakPolarHBondContact O-CG 3.32Å; E23-L27 PolarHBondContact O-N 3.29Å
24L76Confident72.8Confident99 Ų99104.8 Ų104.852%0.51851%0.511SS..Hα-helixtrans-60.6-47.2170.8-97.4148.6000111.2I20 R26 L27 L28I20-L24 HydrophobicContact CG2-CD1 3.72Å; I20-L24 WeakPolarHBondContact O-CB 3.33Å; I20-L24 PolarHBondContact O-N 2.03Å; L24-R26 VanDerWaalsContact C-N 3.34Å; L24-R26 PolarHBondContact O-N 3.25Å; L24-L27 PolarHBondContact O-N 3.02Å; L24-L28 VanDerWaalsContact O-CB 3.29Å; L24-L28 WeakPolarHBondContact O-CB 3.38Å; L24-L28 WeakPolarHBondContact O-CD1 3.43Å; L24-L28 WeakPolarHBondContact O-CG 3.23Å; L24-L28 PolarHBondContact O-N 3.42Å
25T77.4Confident70.4Confident70 Ų70106.5 Ų106.543%0.42952%0.516SS..Hα-helixtrans-61-45.1177.4-53.60000110.3S21 Y22 L28 F29S21-T25 WeakPolarHBondContact O-CB 3.49Å; S21-T25 PolarHBondContact O-N 2.98Å; S21-T25 PolarHBondContact O-OG1 3.38Å; Y22-T25 PolarHBondContact O-N 3.09Å; T25-L28 WeakPolarHBondContact O-CB 3.35Å; T25-L28 PolarHBondContact O-N 3.28Å; T25-F29 HydrophobicContact CG2-CD2 3.78Å; T25-F29 HydrophobicContact CG2-CE2 3.82Å; T25-F29 VanDerWaalsContact O-CD2 3.3Å; T25-F29 WeakPolarHBondContact O-CD2 3.36Å; T25-F29 PolarHBondContact O-N 3.06Å
26R76.8Confident67.8Low110 Ų110111.3 Ų111.342%0.41553%0.527SS..Hα-helixtrans-63.8-43.2178.4-165.5-173.275-179.7-3.5112.3Y22 E23 L24 L28 F29 Q30Y22-R26 WeakPolarHBondContact O-CB 3.49Å; Y22-R26 PolarHBondContact O-N 3.24Å; E23-R26 PolarHBondContact O-N 2.75Å; E23-R26 IonicContact OE1-CZ 3.22Å; E23-R26 IonicContact OE1-NH1 3.94Å; E23-R26 PolarHBondContact OE1-NH1 3.46Å; E23-R26 IonicContact OE1-NH2 3.98Å; E23-R26 IonicContact OE2-CZ 2.77Å; E23-R26 IonicContact OE2-NE 2.74Å; E23-R26 PolarHBondContact OE2-NE 3.27Å; E23-R26 IonicContact OE2-NH1 3.08Å; E23-R26 IonicContact OE2-NH2 3.59Å; E23-R26 PolarHBondContact OE2-NH2 3.26Å; L24-R26 VanDerWaalsContact C-N 3.34Å; L24-R26 PolarHBondContact O-N 3.25Å; R26-L28 VanDerWaalsContact C-N 3.35Å; R26-F29 PolarHBondContact O-N 3.07Å; R26-Q30 WeakPolarHBondContact O-CB 3.33Å; R26-Q30 PolarHBondContact O-N 3.3Å
27L68.2Low65.3Low100 Ų100113 Ų11352%0.52453%0.528SS..Hα-helixtrans-63.4-41.6174.9-79.8164.4000111.1E23 L24 F29 Q30 Y31E23-L27 VanDerWaalsContact O-CB 3.3Å; E23-L27 WeakPolarHBondContact O-CB 3.45Å; E23-L27 WeakPolarHBondContact O-CG 3.32Å; E23-L27 PolarHBondContact O-N 3.29Å; L24-L27 PolarHBondContact O-N 3.02Å; L27-F29 VanDerWaalsContact C-N 3.29Å; L27-F29 PolarHBondContact O-N 3.29Å; L27-Q30 PolarHBondContact O-N 3.12Å; L27-Y31 WeakPolarHBondContact O-CB 3.34Å; L27-Y31 PolarHBondContact O-N 2.65Å
28L61.5Low62.3Low101 Ų101111.1 Ų111.153%0.52953%0.534SS..Hα-helixtrans-64.1-32174.3-71.6167.1000112.5L24 T25 R26L24-L28 VanDerWaalsContact O-CB 3.29Å; L24-L28 WeakPolarHBondContact O-CB 3.38Å; L24-L28 WeakPolarHBondContact O-CD1 3.43Å; L24-L28 WeakPolarHBondContact O-CG 3.23Å; L24-L28 PolarHBondContact O-N 3.42Å; T25-L28 WeakPolarHBondContact O-CB 3.35Å; T25-L28 PolarHBondContact O-N 3.28Å; R26-L28 VanDerWaalsContact C-N 3.35Å
29F59.1Low59.3Low170 Ų170110.9 Ų110.975%0.74653%0.533SS*.Hα-helixtrans-79.7-36.6174.8-94.1-79.8000113.5T25 R26 L27T25-F29 HydrophobicContact CG2-CD2 3.78Å; T25-F29 HydrophobicContact CG2-CE2 3.82Å; T25-F29 VanDerWaalsContact O-CD2 3.3Å; T25-F29 WeakPolarHBondContact O-CD2 3.36Å; T25-F29 PolarHBondContact O-N 3.06Å; R26-F29 PolarHBondContact O-N 3.07Å; L27-F29 VanDerWaalsContact C-N 3.29Å; L27-F29 PolarHBondContact O-N 3.29Å
30Q59.3Low56.6Low142 Ų142109.8 Ų109.866%0.66454%0.541SS*.Hα-helixtrans-72.1-36.4178-92.8-174-32.900112.2R26 L27 K32R26-Q30 WeakPolarHBondContact O-CB 3.33Å; R26-Q30 PolarHBondContact O-N 3.3Å; L27-Q30 PolarHBondContact O-N 3.12Å; Q30-K32 PolarHBondContact O-N 3.31Å; Q30-K32 VanDerWaalsContact O-N 3.1Å
31Y42.8Very low53.6Low149 Ų149116.9 Ų116.958%0.58456%0.562SS**THydrogen-bonded Turntrans-71103.6165.6-120.5-103.8000107.1L27 W33L27-Y31 WeakPolarHBondContact O-CB 3.34Å; L27-Y31 PolarHBondContact O-N 2.65Å; Y31-W33 HydrophobicContact CD1-CZ2 4.21Å; Y31-W33 AromaticContact CD1-NE1 3.96Å; Y31-W33 PolarHBondContact O-N 3.34Å
32K43.7Very low51.1Low130 Ų130120.9 Ų120.957%0.56558%0.579SS**THydrogen-bonded Turntrans-6674.8175.5-71.4-177.8165.7-165.20110.9Q30 D34 E35Q30-K32 PolarHBondContact O-N 3.31Å; Q30-K32 VanDerWaalsContact O-N 3.1Å; K32-D34 PolarHBondContact O-N 3.1Å; K32-E35 HydrophobicContact CB-CB 4.42Å; K32-E35 WeakPolarHBondContact CD-OE2 3.37Å; K32-E35 IonicContact NZ-OE1 2.79Å; K32-E35 PolarHBondContact NZ-OE1 2.98Å; K32-E35 IonicContact NZ-OE2 2.78Å; K32-E35 PolarHBondContact NZ-OE2 3.29Å; K32-E35 PolarHBondContact O-N 3.44Å
33W40.8Very low48.4Very low104 Ų104121.7 Ų121.739%0.39459%0.593SS.*Hα-helixtrans-61.3-32.9177.6-75.395.1000111.4Y31 E35 K36 F37Y31-W33 HydrophobicContact CD1-CZ2 4.21Å; Y31-W33 AromaticContact CD1-NE1 3.96Å; Y31-W33 PolarHBondContact O-N 3.34Å; W33-E35 VanDerWaalsContact C-N 3.34Å; W33-E35 PolarHBondContact O-N 2.99Å; W33-K36 PolarHBondContact O-N 3.33Å; W33-F37 HydrophobicContact CD2-CD2 4.31Å; W33-F37 HydrophobicContact CD2-CE2 4.37Å; W33-F37 AromaticContact CE3-CD2 3.27Å; W33-F37 HydrophobicContact CE3-CD2 3.27Å; W33-F37 AromaticContact CE3-CE2 3.3Å; W33-F37 HydrophobicContact CE3-CE2 3.3Å; W33-F37 HydrophobicContact CE3-CG 4.26Å; W33-F37 HydrophobicContact CE3-CZ 4.3Å; W33-F37 HydrophobicContact CH2-CE2 4.22Å; W33-F37 AromaticContact CZ3-CD2 3.67Å; W33-F37 HydrophobicContact CZ3-CD2 3.67Å; W33-F37 AromaticContact CZ3-CE2 3.2Å; W33-F37 HydrophobicContact CZ3-CE2 3.2Å; W33-F37 AromaticContact CZ3-CZ 3.81Å; W33-F37 HydrophobicContact CZ3-CZ 3.81Å; W33-F37 PolarHBondContact O-N 3.35Å
34D38.1Very low45.9Very low115 Ų115123.3 Ų123.362%0.61562%0.621SS**Hα-helixtrans-60.1-39.6179.7-56.9-18.2000112.8K32 G38K32-D34 PolarHBondContact O-N 3.1Å; D34-G38 WeakPolarHBondContact O-CA 3.29Å; D34-G38 PolarHBondContact O-N 2.81Å; D34-G38 VanDerWaalsContact O-N 3.08Å
35E41.6Very low43.5Very low145 Ų145125.3 Ų125.368%0.67863%0.632SS**Hα-helixtrans-78-31.3-179.6-81.2177.8-166.600112.5K32 W33K32-E35 HydrophobicContact CB-CB 4.42Å; K32-E35 WeakPolarHBondContact CD-OE2 3.37Å; K32-E35 IonicContact NZ-OE1 2.79Å; K32-E35 PolarHBondContact NZ-OE1 2.98Å; K32-E35 IonicContact NZ-OE2 2.78Å; K32-E35 PolarHBondContact NZ-OE2 3.29Å; K32-E35 PolarHBondContact O-N 3.44Å; W33-E35 VanDerWaalsContact C-N 3.34Å; W33-E35 PolarHBondContact O-N 2.99Å
36K36.6Very low41.1Very low156 Ų156130.2 Ų130.268%0.67865%0.648SS**Hα-helixtrans-89.5-25.8-176.1-160.9173.8-177.1-177.80113.2W33W33-K36 PolarHBondContact O-N 3.33Å
37F36.4Very low38.8Very low111 Ų111134 Ų13449%0.48767%0.667SS.*Hα-helixtrans-125.36.6-174.8-64.2-81.5000114.4W33 I39W33-F37 HydrophobicContact CD2-CD2 4.31Å; W33-F37 HydrophobicContact CD2-CE2 4.37Å; W33-F37 AromaticContact CE3-CD2 3.27Å; W33-F37 HydrophobicContact CE3-CD2 3.27Å; W33-F37 AromaticContact CE3-CE2 3.3Å; W33-F37 HydrophobicContact CE3-CE2 3.3Å; W33-F37 HydrophobicContact CE3-CG 4.26Å; W33-F37 HydrophobicContact CE3-CZ 4.3Å; W33-F37 HydrophobicContact CH2-CE2 4.22Å; W33-F37 AromaticContact CZ3-CD2 3.67Å; W33-F37 HydrophobicContact CZ3-CD2 3.67Å; W33-F37 AromaticContact CZ3-CE2 3.2Å; W33-F37 HydrophobicContact CZ3-CE2 3.2Å; W33-F37 AromaticContact CZ3-CZ 3.81Å; W33-F37 HydrophobicContact CZ3-CZ 3.81Å; W33-F37 PolarHBondContact O-N 3.35Å; F37-I39 HydrophobicContact CB-CD1 4.13Å; F37-I39 HydrophobicContact CB-CG1 3.99Å; F37-I39 PolarHBondContact O-N 3.27Å; F37-I39 VanDerWaalsContact O-N 3.17Å
38G29.5Very low36.7Very low64 Ų64138.1 Ų138.166%0.6668%0.677SS**  trans60.630.1170.300000114.3D34 S40D34-G38 WeakPolarHBondContact O-CA 3.29Å; D34-G38 PolarHBondContact O-N 2.81Å; D34-G38 VanDerWaalsContact O-N 3.08Å; G38-S40 PolarHBondContact O-N 3.07Å
39I27.1Very low35Very low100 Ų100141 Ų14151%0.51369%0.693SS.*  trans-76.494.4-175.7-54.5175.8000108.6F37F37-I39 HydrophobicContact CB-CD1 4.13Å; F37-I39 HydrophobicContact CB-CG1 3.99Å; F37-I39 PolarHBondContact O-N 3.27Å; F37-I39 VanDerWaalsContact O-N 3.17Å
40S31.4Very low33.4Very low105 Ų105140.3 Ų140.373%0.73470%0.695SS**  trans-86127.2168.5-175.30000110.3G38 N42G38-S40 PolarHBondContact O-N 3.07Å; S40-N42 PolarHBondContact O-N 3.38Å; S40-N42 VanDerWaalsContact O-N 3.14Å
41R25.9Very low31.7Very low241 Ų241139.4 Ų139.491%0.90969%0.694SS**  trans-77.795.7-180-159.6178.4-174.8172.21.5109.4
42N30.2Very low30.8Very low142 Ų142140.1 Ų140.176%0.75971%0.708SS**  trans-129.3114.8161.4-105.2-16.8000109.6S40 G44S40-N42 PolarHBondContact O-N 3.38Å; S40-N42 VanDerWaalsContact O-N 3.14Å; N42-G44 PolarHBondContact O-N 3.07Å
43N30.8Very low29.9Very low161 Ų161143.1 Ų143.186%0.86172%0.723SS**THydrogen-bonded Turntrans16.389.4167-67.7-16000117.5
44G30Very low29.1Very low75 Ų75146.4 Ų146.477%0.77374%0.743SS**THydrogen-bonded Turntrans110.3-3013700000118.9N42N42-G44 PolarHBondContact O-N 3.07Å
45D27.5Very low28.3Very low140 Ų140145.8 Ų145.875%0.74975%0.747SS**  trans-117.4125-168.5-68.1-34.7000113.9F47D45-F47 HydrophobicContact CB-CE2 4.15Å
46F27Very low27.6Very low174 Ų174149.6 Ų149.676%0.76376%0.757SS**  trans-90.1125.9-179.3-115-96.4000110.1Y48F46-Y48 HydrophobicContact CD1-CE2 4.06Å
47F26.5Very low26.8Very low188 Ų188147 Ų14783%0.82576%0.758SS**  trans-121.5127.1168.7-72.1-84000110.8D45D45-F47 HydrophobicContact CB-CE2 4.15Å
48Y25.1Very low26.2Very low188 Ų188147 Ų14774%0.73777%0.772SS**  trans-96.4136.5176.2-75.2-92000109.6F46F46-Y48 HydrophobicContact CD1-CE2 4.06Å
49N25.8Very low25.9Very low160 Ų160152.2 Ų152.286%0.85678%0.784SS**  trans-135121159.1-81.2-43.4000109.4
50I25.2Very low25.7Very low156 Ų156154.1 Ų154.180%0.880%0.801SS**  trans-94.5123.8176.3-71173000107.5
51L24.1Very low25.2Very low123 Ų123152.7 Ų152.764%0.64480%0.803SS**  trans-82.7129172.7-75.8159.9000110.2E74L51-E74 WeakPolarHBondContact CD2-OE1 3.27Å; L51-E74 WeakPolarHBondContact CD2-OE2 3.15Å
52L24.7Very low25.1Very low164 Ų164148.7 Ų148.786%0.85980%0.799SS**  trans-120.9128162.7-80.1170.8000109.5
53H22.9Very low25.1Very low193 Ų193150 Ų15089%0.89481%0.806SS**  trans-67.4130.1171.9-94.2-87.3000110.7
54E24.3Very low24.8Very low174 Ų174149.4 Ų149.481%0.81380%0.802SS**  trans-155.7141.9148-114.2171.5-150.800112.1
55S22.4Very low24.7Very low101 Ų101152.2 Ų152.271%0.70680%0.795SS**  trans-101.9130.7-173.752.30000111
56Y25.6Very low24.7Very low226 Ų226149.3 Ų149.389%0.88678%0.783SS**  trans-145.4142.1161.3-89.2-75.1000114.3
57S21.2Very low25.1Very low100 Ų100146 Ų14670%0.69977%0.766SS**  trans-88.9144.5-173.555.30000113.9
58S22.9Very low25.2Very low111 Ų111144 Ų14478%0.77675%0.754SS**  trans4.1123.915261.20000119.4
59L23.1Very low25.5Very low175 Ų175140.3 Ų140.392%0.91675%0.75SS**  trans-150.4133.1146.8-99.5163.5000110.6
60T22.6Very low25.7Very low140 Ų140134.5 Ų134.586%0.85972%0.722SS**  trans-77.5134.9179.543.50000112.2
61G22.6Very low26.2Very low75 Ų75131.9 Ų131.977%0.77372%0.718SS**  trans173.7134170.500000115.4
62N22.8Very low26.6Very low157 Ų157132.5 Ų132.584%0.8472%0.718SS**SBendtrans-54.2143.9-176-79-38.9000116.9N64N62-N64 PolarHBondContact O-N 3.38Å
63L30.2Very low27.2Very low170 Ų170126.6 Ų126.689%0.8969%0.686SS**SBendtrans48.8-0.4153-87.8154.6000122
64N24.6Very low28.1Very low147 Ų147124.3 Ų124.379%0.78668%0.676SS**  trans-96.278.5157.7-78.3-13.6000108.2N62 T66N62-N64 PolarHBondContact O-N 3.38Å; N64-T66 PolarHBondContact O-N 3.32Å
65Q28.5Very low28.9Very low135 Ų135123 Ų12363%0.63167%0.667SS**  trans-68.985.5168.7-75.7-177.9-4.500108.3Y67Q65-Y67 HydrophobicContact CB-CD1 3.9Å; Q65-Y67 HydrophobicContact CB-CE1 3.53Å; Q65-Y67 HydrophobicContact CG-CE1 4.45Å; Q65-Y67 WeakPolarHBondContact O-CD2 3.04Å; Q65-Y67 WeakPolarHBondContact O-CE2 3.47Å; Q65-Y67 PolarHBondContact O-N 3.35Å; Q65-Y67 VanDerWaalsContact OE1-CE1 3.24Å
66T26.7Very low30.1Very low79 Ų79120.4 Ų120.449%0.48564%0.643SS.*  trans-63.2110.7151.9-44.10000105.3N64 Y68N64-T66 PolarHBondContact O-N 3.32Å; T66-Y68 HydrophobicContact CG2-CE2 3.83Å; T66-Y68 WeakPolarHBondContact O-CD2 2.82Å; T66-Y68 PolarHBondContact O-N 3.4Å
67Y35.6Very low31.6Very low104 Ų104113.1 Ų113.141%0.40862%0.616SS.*  trans-78.791.8-169.2-58.7-72.6000110.3Q65 M189Q65-Y67 HydrophobicContact CB-CD1 3.9Å; Q65-Y67 HydrophobicContact CB-CE1 3.53Å; Q65-Y67 HydrophobicContact CG-CE1 4.45Å; Q65-Y67 WeakPolarHBondContact O-CD2 3.04Å; Q65-Y67 WeakPolarHBondContact O-CE2 3.47Å; Q65-Y67 PolarHBondContact O-N 3.35Å; Q65-Y67 VanDerWaalsContact OE1-CE1 3.24Å; Y67-M189 HydrophobicContact CE2-SD 4.29Å
68Y28.8Very low33.4Very low147 Ų147108.6 Ų108.658%0.57659%0.585SS**PPolyproline II helixtrans-82.9119169-60.8-83000109.1T66 S70 A205T66-Y68 HydrophobicContact CG2-CE2 3.83Å; T66-Y68 WeakPolarHBondContact O-CD2 2.82Å; T66-Y68 PolarHBondContact O-N 3.4Å; Y68-S70 PolarHBondContact O-N 3.18Å; Y68-A205 HydrophobicContact CD1-CB 4.13Å; Y68-A205 HydrophobicContact CE1-CB 3.89Å; Y68-A205 WeakPolarHBondContact CE1-O 3.13Å
69V31.9Very low35.5Very low109 Ų109106 Ų10666%0.66156%0.559SS**PPolyproline II helixtrans-65.6123.7155.1-1760000104.9M73V69-M73 HydrophobicContact CG1-CB 3.73Å
70S28.6Very low37.7Very low38 Ų3898.9 Ų98.927%0.26652%0.522SS..PPolyproline II helixtrans-60.1145.9176.687.40000108.9Y68 Q72 M73Y68-S70 PolarHBondContact O-N 3.18Å; S70-Q72 PolarHBondContact O-N 3.32Å; S70-Q72 VanDerWaalsContact O-N 3.1Å; S70-M73 WeakPolarHBondContact O-CA 3.46Å; S70-M73 WeakPolarHBondContact O-CB 3.46Å; S70-M73 PolarHBondContact O-N 3.49Å; S70-M73 VanDerWaalsContact OG-CG 3.25Å; S70-M73 WeakPolarHBondContact OG-CG 3.47Å; S70-M73 PolarHBondContact OG-N 3.08Å
71S36Very low39.9Very low102 Ų10294.9 Ų94.971%0.71350%0.497SS*.G310 helixtrans-61.9-18.6179.554.10000113.3
72Q32.5Very low41.9Very low135 Ų13593 Ų9363%0.63147%0.469SS*.G310 helixtrans-84.8-12.6173.2-62.8-100.5-21.400112.6S70 E86S70-Q72 PolarHBondContact O-N 3.32Å; S70-Q72 VanDerWaalsContact O-N 3.1Å; Q72-E86 VanDerWaalsContact CB-OE1 3.3Å; Q72-E86 WeakPolarHBondContact CB-OE1 3.39Å; Q72-E86 WeakPolarHBondContact CG-OE1 3.44Å
73M38Very low43.8Very low40 Ų4088.8 Ų88.820%0.19746%0.463CS..G310 helixtrans-88.66.6178.8-78.6-179.279.300114.2V69 S70 K75 Y76 L89V69-M73 HydrophobicContact CG1-CB 3.73Å; S70-M73 WeakPolarHBondContact O-CA 3.46Å; S70-M73 WeakPolarHBondContact O-CB 3.46Å; S70-M73 PolarHBondContact O-N 3.49Å; S70-M73 VanDerWaalsContact OG-CG 3.25Å; S70-M73 WeakPolarHBondContact OG-CG 3.47Å; S70-M73 PolarHBondContact OG-N 3.08Å; M73-K75 PolarHBondContact O-N 3.29Å; M73-Y76 PolarHBondContact O-N 3.09Å; M73-L89 HydrophobicContact CE-CD1 3.89Å; M73-L89 HydrophobicContact CG-CD1 4.47Å; M73-L89 HydrophobicContact SD-CD1 3.88Å
74E42.2Very low45.4Very low145 Ų14582.7 Ų82.768%0.67843%0.429SS*.G310 helixtrans-51.1-21.6169.1-75.7-173.8165.700112.8L51L51-E74 WeakPolarHBondContact CD2-OE1 3.27Å; L51-E74 WeakPolarHBondContact CD2-OE2 3.15Å
75K41.2Very low47.3Very low147 Ų14779.3 Ų79.364%0.63941%0.414SS*.G310 helixtrans-90.6-14.5178.6-163.4173179.8-179.20115.2M73M73-K75 PolarHBondContact O-N 3.29Å
76Y46.3Very low49Very low47 Ų4777.4 Ų77.418%0.18441%0.405CS..  trans-121.785-168.1-54.9-50.8000111.1M73 N78 Y93M73-Y76 PolarHBondContact O-N 3.09Å; Y76-N78 PolarHBondContact O-N 3.31Å; Y76-Y93 AromaticContact CD1-CD1 3.82Å; Y76-Y93 HydrophobicContact CD1-CD1 3.82Å; Y76-Y93 AromaticContact CD1-CD2 3.74Å; Y76-Y93 HydrophobicContact CD1-CD2 3.74Å; Y76-Y93 AromaticContact CD1-CE1 3.3Å; Y76-Y93 HydrophobicContact CD1-CE1 3.3Å; Y76-Y93 AromaticContact CD1-CE2 3.23Å; Y76-Y93 HydrophobicContact CD1-CE2 3.23Å; Y76-Y93 HydrophobicContact CD1-CG 4.03Å; Y76-Y93 AromaticContact CD1-CZ 2.97Å; Y76-Y93 VanDerWaalsContact CD1-OH 3.26Å; Y76-Y93 WeakPolarHBondContact CD1-OH 3.24Å; Y76-Y93 HydrophobicContact CD2-CD2 4.02Å; Y76-Y93 AromaticContact CD2-CE2 3.82Å; Y76-Y93 HydrophobicContact CD2-CE2 3.82Å; Y76-Y93 AromaticContact CE1-CD1 3.2Å; Y76-Y93 HydrophobicContact CE1-CD1 3.2Å; Y76-Y93 AromaticContact CE1-CD2 3.42Å; Y76-Y93 HydrophobicContact CE1-CD2 3.42Å; Y76-Y93 VanDerWaalsContact CE1-CD2 3.42Å; Y76-Y93 AromaticContact CE1-CE1 3.2Å; Y76-Y93 HydrophobicContact CE1-CE1 3.2Å; Y76-Y93 AromaticContact CE1-CE2 3.46Å; Y76-Y93 HydrophobicContact CE1-CE2 3.46Å; Y76-Y93 VanDerWaalsContact CE1-CE2 3.46Å; Y76-Y93 AromaticContact CE1-CG 3.32Å; Y76-Y93 HydrophobicContact CE1-CG 3.32Å; Y76-Y93 AromaticContact CE1-CZ 3.34Å; Y76-Y93 AromaticContact CE2-CD2 3.73Å; Y76-Y93 HydrophobicContact CE2-CD2 3.73Å; Y76-Y93 HydrophobicContact CE2-CE2 4.01Å; Y76-Y93 HydrophobicContact CE2-CG 4.2Å; Y76-Y93 HydrophobicContact CG-CD2 4.01Å; Y76-Y93 HydrophobicContact CG-CE1 4.31Å; Y76-Y93 AromaticContact CG-CE2 3.41Å; Y76-Y93 HydrophobicContact CG-CE2 3.41Å; Y76-Y93 VanDerWaalsContact CG-CE2 3.41Å; Y76-Y93 AromaticContact CG-CZ 3.58Å; Y76-Y93 AromaticContact CZ-CD1 3.8Å; Y76-Y93 AromaticContact CZ-CD2 3.4Å; Y76-Y93 AromaticContact CZ-CE2 3.83Å; Y76-Y93 AromaticContact CZ-CG 3.41Å; Y76-Y93 VanDerWaalsContact CZ-CG 3.41Å; Y76-Y93 WeakPolarHBondContact OH-CB 3.41Å
77E58.4Low50.9Low72 Ų7280.6 Ų80.634%0.33641%0.412SS..  trans-70.722.9-167-52.4171.7178.900115.3W371 P373 M374E77-W371 VanDerWaalsContact O-CZ2 3.23Å; E77-W371 WeakPolarHBondContact O-CZ2 3.25Å; E77-W371 PolarHBondContact O-NE1 2.81Å; E77-P373 WeakPolarHBondContact O-CA 2.99Å; E77-M374 WeakPolarHBondContact OE1-CE 3.49Å; E77-M374 WeakPolarHBondContact OE2-CB 3.34Å; E77-M374 WeakPolarHBondContact OE2-CE 3.35Å; E77-M374 WeakPolarHBondContact OE2-CG 3.49Å
78N59.2Low52.5Low6 Ų678.3 Ų78.33%0.03241%0.407CS..SBendtrans-137.9139.6161-50.3-104.5000112.2Y76 I80 I193 W371 P373 M374 V378Y76-N78 PolarHBondContact O-N 3.31Å; N78-I80 PolarHBondContact O-N 2.98Å; N78-I193 HydrophobicContact CB-CG2 3.84Å; N78-W371 HydrophobicContact CB-CZ2 4.32Å; N78-P373 WeakPolarHBondContact OD1-CB 3.43Å; N78-M374 PolarHBondContact ND2-N 2.61Å; N78-M374 PolarHBondContact ND2-O 2.87Å; N78-M374 PolarHBondContact OD1-N 2.88Å; N78-V378 HydrophobicContact CB-CG2 3.93Å; N78-V378 VanDerWaalsContact ND2-CG2 3.3Å; N78-V378 WeakPolarHBondContact ND2-CG2 3.28Å
79K66.5Low54.4Low57 Ų5772.2 Ų72.225%0.24838%0.384CS..EExtended strand (participates in β ladder)trans-72.4111.8171179.6-176.2176.9-168.70109.2T81 Y194K79-T81 HydrophobicContact CG-CG2 4.5Å; K79-Y194 HydrophobicContact CD-CD1 4.15Å; K79-Y194 PolarHBondContact O-N 2.75Å; K79-Y194 VanDerWaalsContact O-N 3.1Å
80I69.1Low56.1Low25 Ų2570.4 Ų70.413%0.12837%0.369CS..EExtended strand (participates in β ladder)trans-100.5120.9176.6-54.8172.8000109N78 L82 F84 L89 T192 V378N78-I80 PolarHBondContact O-N 2.98Å; I80-L82 HydrophobicContact CG2-CB 3.98Å; I80-L82 HydrophobicContact CG2-CD1 3.76Å; I80-L82 HydrophobicContact CG2-CG 3.93Å; I80-F84 HydrophobicContact CB-CD2 4.36Å; I80-F84 HydrophobicContact CG2-CD2 3.63Å; I80-F84 HydrophobicContact CG2-CE2 3.68Å; I80-L89 HydrophobicContact CD1-CD2 4.17Å; I80-T192 CarbonylContact C-O 3.51Å; I80-T192 VanDerWaalsContact CA-O 3.31Å; I80-T192 WeakPolarHBondContact CA-O 3.23Å; I80-V378 HydrophobicContact CD1-CG1 3.75Å; I80-V378 HydrophobicContact CD1-CG2 4.2Å; I80-V378 HydrophobicContact CG1-CG1 4.13Å
81T67.8Low58Low56 Ų5674.2 Ų74.234%0.34438%0.382SS..  trans-97.219.4-175.465.70000113.6K79 G83 S191 T192K79-T81 HydrophobicContact CG-CG2 4.5Å; T81-G83 PolarHBondContact O-N 3.45Å; T81-S191 WeakPolarHBondContact CB-O 3.39Å; T81-S191 VanDerWaalsContact CG2-O 3.29Å; T81-S191 WeakPolarHBondContact CG2-O 3.46Å; T81-S191 VanDerWaalsContact OG1-C 3.3Å; T81-S191 PolarHBondContact OG1-O 3.1Å; T81-T192 PolarHBondContact N-O 3.38Å; T81-T192 VanDerWaalsContact OG1-CA 3.23Å; T81-T192 WeakPolarHBondContact OG1-CA 3.37Å; T81-T192 PolarHBondContact OG1-O 3.36Å
82L65.7Low59.6Low35 Ų3569.7 Ų69.718%0.18335%0.35CS..SBendtrans-738.1179.7-74.5167.8000114.5I80 F84 Y183 T192 Y392I80-L82 HydrophobicContact CG2-CB 3.98Å; I80-L82 HydrophobicContact CG2-CD1 3.76Å; I80-L82 HydrophobicContact CG2-CG 3.93Å; L82-F84 HydrophobicContact CB-CD2 3.76Å; L82-F84 HydrophobicContact CB-CE1 4.35Å; L82-F84 HydrophobicContact CB-CE2 3.58Å; L82-F84 HydrophobicContact CB-CG 4.24Å; L82-F84 HydrophobicContact CB-CZ 3.86Å; L82-F84 HydrophobicContact CD1-CD2 4.31Å; L82-F84 HydrophobicContact CD1-CE2 3.37Å; L82-F84 HydrophobicContact CD1-CZ 3.59Å; L82-F84 HydrophobicContact CG-CE2 4.09Å; L82-F84 HydrophobicContact CG-CZ 4.36Å; L82-F84 PolarHBondContact O-N 3.16Å; L82-Y183 HydrophobicContact CD1-CD1 3.8Å; L82-Y183 HydrophobicContact CD1-CE1 3.46Å; L82-Y183 VanDerWaalsContact CD1-CE1 3.46Å; L82-Y183 HydrophobicContact CD2-CD1 4.17Å; L82-Y183 HydrophobicContact CD2-CE1 4.05Å; L82-Y183 HydrophobicContact CG-CE1 4.4Å; L82-T192 HydrophobicContact CD1-CG2 3.58Å; L82-T192 HydrophobicContact CD2-CG2 3.71Å; L82-T192 HydrophobicContact CG-CG2 3.46Å; L82-T192 VanDerWaalsContact CG-CG2 3.46Å; L82-Y392 HydrophobicContact CD2-CD1 3.5Å; L82-Y392 HydrophobicContact CD2-CD2 4.35Å; L82-Y392 HydrophobicContact CD2-CE1 3.46Å; L82-Y392 VanDerWaalsContact CD2-CE1 3.46Å; L82-Y392 HydrophobicContact CD2-CE2 4.31Å; L82-Y392 HydrophobicContact CD2-CG 3.96Å
83G61.5Low61.3Low68 Ų6864.3 Ų64.370%0.70132%0.324SS*.  trans66.821.5-174.200000113.1T81 T85T81-G83 PolarHBondContact O-N 3.45Å; G83-T85 PolarHBondContact O-N 3.48Å
84F64.2Low62.7Low43 Ų4369 Ų6919%0.18934%0.343CS..  trans-60.8127.8172.8-69.7-47.2000109.9I80 L82 D88 L89 L92 L389I80-F84 HydrophobicContact CB-CD2 4.36Å; I80-F84 HydrophobicContact CG2-CD2 3.63Å; I80-F84 HydrophobicContact CG2-CE2 3.68Å; L82-F84 HydrophobicContact CB-CD2 3.76Å; L82-F84 HydrophobicContact CB-CE1 4.35Å; L82-F84 HydrophobicContact CB-CE2 3.58Å; L82-F84 HydrophobicContact CB-CG 4.24Å; L82-F84 HydrophobicContact CB-CZ 3.86Å; L82-F84 HydrophobicContact CD1-CD2 4.31Å; L82-F84 HydrophobicContact CD1-CE2 3.37Å; L82-F84 HydrophobicContact CD1-CZ 3.59Å; L82-F84 HydrophobicContact CG-CE2 4.09Å; L82-F84 HydrophobicContact CG-CZ 4.36Å; L82-F84 PolarHBondContact O-N 3.16Å; F84-D88 HydrophobicContact CB-CB 3.89Å; F84-D88 HydrophobicContact CD1-CB 3.59Å; F84-D88 HydrophobicContact CG-CB 4.08Å; F84-L89 HydrophobicContact CB-CD2 3.99Å; F84-L89 HydrophobicContact CB-CG 3.98Å; F84-L89 HydrophobicContact CD2-CD2 3.89Å; F84-L89 HydrophobicContact CG-CD2 4.23Å; F84-L92 HydrophobicContact CD2-CD1 4.28Å; F84-L92 HydrophobicContact CE1-CD1 4.28Å; F84-L92 HydrophobicContact CE2-CD1 3.93Å; F84-L92 HydrophobicContact CZ-CD1 3.97Å; F84-L389 HydrophobicContact CE1-CD1 3.89Å; F84-L389 HydrophobicContact CE1-CD2 3.79Å; F84-L389 HydrophobicContact CE1-CG 4.44Å; F84-L389 HydrophobicContact CZ-CD1 3.5Å; F84-L389 VanDerWaalsContact CZ-CD1 3.5Å; F84-L389 HydrophobicContact CZ-CD2 4.24Å; F84-L389 HydrophobicContact CZ-CG 4.49Å
85T64.3Low63.7Low75 Ų7564.1 Ų64.146%0.4632%0.323SS..  trans-67.4161.8162.365.60000109.5G83 K87 D88 L89G83-T85 PolarHBondContact O-N 3.48Å; T85-K87 PolarHBondContact O-N 3.1Å; T85-K87 PolarHBondContact OG1-N 2.94Å; T85-D88 WeakPolarHBondContact CB-OD2 3.35Å; T85-D88 PolarHBondContact N-OD2 3.39Å; T85-D88 WeakPolarHBondContact O-CB 3.13Å; T85-D88 PolarHBondContact O-N 3.11Å; T85-D88 PolarHBondContact OG1-N 3.24Å; T85-D88 VanDerWaalsContact OG1-N 3.1Å; T85-D88 PolarHBondContact OG1-OD2 3.09Å; T85-L89 PolarHBondContact O-N 3.17Å; T85-L89 VanDerWaalsContact O-N 3.07Å
86E65Low64.2Low95 Ų9565.2 Ų65.244%0.44433%0.328SS..Hα-helixtrans-54.3-35.4170.6-175.5165.7-143.600111.4Q72 L89 E90Q72-E86 VanDerWaalsContact CB-OE1 3.3Å; Q72-E86 WeakPolarHBondContact CB-OE1 3.39Å; Q72-E86 WeakPolarHBondContact CG-OE1 3.44Å; E86-L89 PolarHBondContact O-N 2.94Å; E86-E90 WeakPolarHBondContact O-CB 3.31Å; E86-E90 WeakPolarHBondContact O-CG 3.4Å; E86-E90 PolarHBondContact O-N 3.1Å
87K65.9Low64.4Low147 Ų14768.2 Ų68.264%0.63936%0.356SS*.Hα-helixtrans-64.2-41.6174.2-173.2-176.8176-172.90112.7T85 L89 E90 E91T85-K87 PolarHBondContact O-N 3.1Å; T85-K87 PolarHBondContact OG1-N 2.94Å; K87-L89 VanDerWaalsContact C-N 3.34Å; K87-E90 PolarHBondContact O-N 3.37Å; K87-E91 VanDerWaalsContact O-CB 3.29Å; K87-E91 WeakPolarHBondContact O-CB 3.03Å; K87-E91 PolarHBondContact O-N 3.14Å
88D69.1Low64.1Low56 Ų5668 Ų6830%0.29937%0.367SS..Hα-helixtrans-64.4-41.8177.2-59.1-51.7000110.7F84 T85 E91 L92F84-D88 HydrophobicContact CB-CB 3.89Å; F84-D88 HydrophobicContact CD1-CB 3.59Å; F84-D88 HydrophobicContact CG-CB 4.08Å; T85-D88 WeakPolarHBondContact CB-OD2 3.35Å; T85-D88 PolarHBondContact N-OD2 3.39Å; T85-D88 WeakPolarHBondContact O-CB 3.13Å; T85-D88 PolarHBondContact O-N 3.11Å; T85-D88 PolarHBondContact OG1-N 3.24Å; T85-D88 VanDerWaalsContact OG1-N 3.1Å; T85-D88 PolarHBondContact OG1-OD2 3.09Å; D88-E91 PolarHBondContact O-N 2.9Å; D88-L92 WeakPolarHBondContact O-CB 3.04Å; D88-L92 VanDerWaalsContact O-CG 3.24Å; D88-L92 WeakPolarHBondContact O-CG 3.45Å; D88-L92 PolarHBondContact O-N 3.23Å
89L68.2Low63.9Low18 Ų1874.5 Ų74.59%0.09441%0.409CS..Hα-helixtrans-63.6-49.3174.4-66.9177.4000111.1M73 I80 F84 T85 E86 K87 E91 L92 Y93M73-L89 HydrophobicContact CE-CD1 3.89Å; M73-L89 HydrophobicContact CG-CD1 4.47Å; M73-L89 HydrophobicContact SD-CD1 3.88Å; I80-L89 HydrophobicContact CD1-CD2 4.17Å; F84-L89 HydrophobicContact CB-CD2 3.99Å; F84-L89 HydrophobicContact CB-CG 3.98Å; F84-L89 HydrophobicContact CD2-CD2 3.89Å; F84-L89 HydrophobicContact CG-CD2 4.23Å; T85-L89 PolarHBondContact O-N 3.17Å; T85-L89 VanDerWaalsContact O-N 3.07Å; E86-L89 PolarHBondContact O-N 2.94Å; K87-L89 VanDerWaalsContact C-N 3.34Å; L89-E91 VanDerWaalsContact C-N 3.25Å; L89-E91 PolarHBondContact O-N 2.94Å; L89-L92 HydrophobicContact CD2-CD1 4.38Å; L89-L92 WeakPolarHBondContact O-CB 3.39Å; L89-L92 PolarHBondContact O-N 3.43Å; L89-Y93 WeakPolarHBondContact O-CD2 3.39Å; L89-Y93 PolarHBondContact O-N 2.94Å
90E68.9Low63.9Low72 Ų7274 Ų7434%0.33642%0.415SS..Hα-helixtrans-56.3-41.8175-80-174.5-165.900111.8E86 K87 Y93 K94E86-E90 WeakPolarHBondContact O-CB 3.31Å; E86-E90 WeakPolarHBondContact O-CG 3.4Å; E86-E90 PolarHBondContact O-N 3.1Å; K87-E90 PolarHBondContact O-N 3.37Å; E90-Y93 CarbonylContact O-C 3.48Å; E90-Y93 PolarHBondContact O-N 2.84Å; E90-K94 WeakPolarHBondContact O-CB 3.5Å; E90-K94 WeakPolarHBondContact O-CD 3.47Å; E90-K94 WeakPolarHBondContact O-CG 3.37Å; E90-K94 PolarHBondContact O-N 3.48Å; E90-K94 IonicContact OE2-NZ 2.8Å; E90-K94 PolarHBondContact OE2-NZ 3.06Å
91E68.2Low64.5Low118 Ų11876.4 Ų76.455%0.55144%0.439SS*.Hα-helixtrans-65.2-44.1178.8-169.8168.6174.700111.1K87 D88 L89 Y93 K94 V95K87-E91 VanDerWaalsContact O-CB 3.29Å; K87-E91 WeakPolarHBondContact O-CB 3.03Å; K87-E91 PolarHBondContact O-N 3.14Å; D88-E91 PolarHBondContact O-N 2.9Å; L89-E91 VanDerWaalsContact C-N 3.25Å; L89-E91 PolarHBondContact O-N 2.94Å; E91-Y93 VanDerWaalsContact C-N 3.31Å; E91-Y93 PolarHBondContact O-N 3.35Å; E91-K94 PolarHBondContact O-N 3.49Å; E91-K94 VanDerWaalsContact O-N 3.13Å; E91-V95 WeakPolarHBondContact O-CG2 3.22Å; E91-V95 PolarHBondContact O-N 2.03Å
92L69.2Low65.7Low6 Ų680.6 Ų80.63%0.03145%0.448CS..Hα-helixtrans-54.6-45.7172.6-74.8169.1000111.8F84 D88 L89 L381 T385 L389F84-L92 HydrophobicContact CD2-CD1 4.28Å; F84-L92 HydrophobicContact CE1-CD1 4.28Å; F84-L92 HydrophobicContact CE2-CD1 3.93Å; F84-L92 HydrophobicContact CZ-CD1 3.97Å; D88-L92 WeakPolarHBondContact O-CB 3.04Å; D88-L92 VanDerWaalsContact O-CG 3.24Å; D88-L92 WeakPolarHBondContact O-CG 3.45Å; D88-L92 PolarHBondContact O-N 3.23Å; L89-L92 HydrophobicContact CD2-CD1 4.38Å; L89-L92 WeakPolarHBondContact O-CB 3.39Å; L89-L92 PolarHBondContact O-N 3.43Å; L92-L381 HydrophobicContact CB-CD2 4.39Å; L92-T385 VanDerWaalsContact CD2-CB 3.47Å; L92-T385 HydrophobicContact CD2-CG2 4.13Å; L92-T385 WeakPolarHBondContact CD2-OG1 3.5Å; L92-L389 HydrophobicContact CD2-CD1 4.14Å; L92-L389 HydrophobicContact CD2-CD2 3.9Å; L92-L389 HydrophobicContact CD2-CG 4.16Å; L92-L389 HydrophobicContact CG-CD2 4.35Å
93Y69.1Low67.1Low22 Ų2281 Ų819%0.08645%0.449CS..Hα-helixtrans-83.4-11.4178.5-71.9-75.2000114.2Y76 L89 E90 E91 V95 F123 L381Y76-Y93 AromaticContact CD1-CD1 3.82Å; Y76-Y93 HydrophobicContact CD1-CD1 3.82Å; Y76-Y93 AromaticContact CD1-CD2 3.74Å; Y76-Y93 HydrophobicContact CD1-CD2 3.74Å; Y76-Y93 AromaticContact CD1-CE1 3.3Å; Y76-Y93 HydrophobicContact CD1-CE1 3.3Å; Y76-Y93 AromaticContact CD1-CE2 3.23Å; Y76-Y93 HydrophobicContact CD1-CE2 3.23Å; Y76-Y93 HydrophobicContact CD1-CG 4.03Å; Y76-Y93 AromaticContact CD1-CZ 2.97Å; Y76-Y93 VanDerWaalsContact CD1-OH 3.26Å; Y76-Y93 WeakPolarHBondContact CD1-OH 3.24Å; Y76-Y93 HydrophobicContact CD2-CD2 4.02Å; Y76-Y93 AromaticContact CD2-CE2 3.82Å; Y76-Y93 HydrophobicContact CD2-CE2 3.82Å; Y76-Y93 AromaticContact CE1-CD1 3.2Å; Y76-Y93 HydrophobicContact CE1-CD1 3.2Å; Y76-Y93 AromaticContact CE1-CD2 3.42Å; Y76-Y93 HydrophobicContact CE1-CD2 3.42Å; Y76-Y93 VanDerWaalsContact CE1-CD2 3.42Å; Y76-Y93 AromaticContact CE1-CE1 3.2Å; Y76-Y93 HydrophobicContact CE1-CE1 3.2Å; Y76-Y93 AromaticContact CE1-CE2 3.46Å; Y76-Y93 HydrophobicContact CE1-CE2 3.46Å; Y76-Y93 VanDerWaalsContact CE1-CE2 3.46Å; Y76-Y93 AromaticContact CE1-CG 3.32Å; Y76-Y93 HydrophobicContact CE1-CG 3.32Å; Y76-Y93 AromaticContact CE1-CZ 3.34Å; Y76-Y93 AromaticContact CE2-CD2 3.73Å; Y76-Y93 HydrophobicContact CE2-CD2 3.73Å; Y76-Y93 HydrophobicContact CE2-CE2 4.01Å; Y76-Y93 HydrophobicContact CE2-CG 4.2Å; Y76-Y93 HydrophobicContact CG-CD2 4.01Å; Y76-Y93 HydrophobicContact CG-CE1 4.31Å; Y76-Y93 AromaticContact CG-CE2 3.41Å; Y76-Y93 HydrophobicContact CG-CE2 3.41Å; Y76-Y93 VanDerWaalsContact CG-CE2 3.41Å; Y76-Y93 AromaticContact CG-CZ 3.58Å; Y76-Y93 AromaticContact CZ-CD1 3.8Å; Y76-Y93 AromaticContact CZ-CD2 3.4Å; Y76-Y93 AromaticContact CZ-CE2 3.83Å; Y76-Y93 AromaticContact CZ-CG 3.41Å; Y76-Y93 VanDerWaalsContact CZ-CG 3.41Å; Y76-Y93 WeakPolarHBondContact OH-CB 3.41Å; L89-Y93 WeakPolarHBondContact O-CD2 3.39Å; L89-Y93 PolarHBondContact O-N 2.94Å; E90-Y93 CarbonylContact O-C 3.48Å; E90-Y93 PolarHBondContact O-N 2.84Å; E91-Y93 VanDerWaalsContact C-N 3.31Å; E91-Y93 PolarHBondContact O-N 3.35Å; Y93-V95 VanDerWaalsContact C-N 3.33Å; Y93-F123 HydrophobicContact CD1-CB 3.88Å; Y93-F123 AromaticContact CD1-CD1 3.61Å; Y93-F123 HydrophobicContact CD1-CD1 3.61Å; Y93-F123 HydrophobicContact CD1-CD2 4.28Å; Y93-F123 HydrophobicContact CD1-CE1 4.28Å; Y93-F123 AromaticContact CD1-CG 3.63Å; Y93-F123 HydrophobicContact CD1-CG 3.63Å; Y93-F123 HydrophobicContact CE1-CB 3.91Å; Y93-F123 HydrophobicContact CE1-CD1 4.31Å; Y93-F123 HydrophobicContact CE1-CG 4.19Å; Y93-F123 WeakPolarHBondContact O-CE1 3.37Å; Y93-F123 WeakPolarHBondContact O-CZ 3.48Å; Y93-L381 HydrophobicContact CD1-CD1 4.36Å; Y93-L381 HydrophobicContact CD1-CD2 4.23Å; Y93-L381 HydrophobicContact CD2-CD2 4.39Å; Y93-L381 HydrophobicContact CE1-CD1 4.38Å; Y93-L381 HydrophobicContact CE1-CD2 3.65Å; Y93-L381 HydrophobicContact CE2-CD2 3.81Å; Y93-L381 VanDerWaalsContact CZ-CD2 3.41Å
94K67.4Low68.7Low140 Ų14079.2 Ų79.261%0.60942%0.423SS*.Hα-helixtrans-82.9-15.6171.6-81.4167.3-169.7165.80111.9E90 E91 K96E90-K94 WeakPolarHBondContact O-CB 3.5Å; E90-K94 WeakPolarHBondContact O-CD 3.47Å; E90-K94 WeakPolarHBondContact O-CG 3.37Å; E90-K94 PolarHBondContact O-N 3.48Å; E90-K94 IonicContact OE2-NZ 2.8Å; E90-K94 PolarHBondContact OE2-NZ 3.06Å; E91-K94 PolarHBondContact O-N 3.49Å; E91-K94 VanDerWaalsContact O-N 3.13Å; K94-K96 PolarHBondContact O-N 2.97Å
95V62Low70.2Confident41 Ų4177.2 Ų77.225%0.24841%0.414CS..SBendtrans-65.581167.3-173.90000108E91 Y93 S97 T385 K388E91-V95 WeakPolarHBondContact O-CG2 3.22Å; E91-V95 PolarHBondContact O-N 2.03Å; Y93-V95 VanDerWaalsContact C-N 3.33Å; V95-S97 PolarHBondContact O-N 3.42Å; V95-T385 HydrophobicContact CB-CG2 4.21Å; V95-T385 HydrophobicContact CG1-CG2 4.39Å; V95-T385 HydrophobicContact CG2-CG2 4.26Å; V95-K388 HydrophobicContact CG2-CD 4.05Å
96K52.8Low71.8Confident171 Ų17173.6 Ų73.674%0.74339%0.392SS*.  trans-49.6145.1165.6-82.8-176174.5-179.60108.3K94 A98K94-K96 PolarHBondContact O-N 2.97Å; K96-A98 PolarHBondContact O-N 2.97Å
97S49Very low73.3Confident110 Ų11069.3 Ų69.377%0.76937%0.372SS*.  trans-50.373.5156.758.10000111V95V95-S97 PolarHBondContact O-N 3.42Å
98A53.5Low74.8Confident68 Ų6863.7 Ų63.756%0.56235%0.347SS*.  trans-52.4151.214100000106.2K96 A100K96-A98 PolarHBondContact O-N 2.97Å; A98-A100 PolarHBondContact O-N 3.01Å
99P53.9Low76Confident141 Ų14161.4 Ų61.492%0.91634%0.337SS*.SBendtrans-63.582.2175.126.8-31.8000108.5
100A66.6Low77.3Confident46 Ų4664.9 Ų64.938%0.3836%0.355SS..  trans-79.2141.3169.800000105.8A98 R102A98-A100 PolarHBondContact O-N 3.01Å; A100-R102 PolarHBondContact O-N 3.07Å
101A83Confident78.4Confident76 Ų7665.4 Ų65.463%0.62836%0.36SS*.  trans-55137.417400000109.7K103A101-K103 PolarHBondContact O-N 3.38Å
102R92.1Very high79.3Confident144 Ų14467.2 Ų67.254%0.54336%0.363SS..  trans-45.3133.9171.6174.2168.6-71.1176.71.3110.6A100 D126 E128A100-R102 PolarHBondContact O-N 3.07Å; R102-D126 WeakPolarHBondContact CA-OD2 3.44Å; R102-D126 WeakPolarHBondContact CB-OD2 3.35Å; R102-D126 IonicContact CZ-OD1 2.84Å; R102-D126 PolarHBondContact N-OD2 3.37Å; R102-D126 IonicContact NE-OD1 3.7Å; R102-D126 PolarHBondContact NE-OD1 2.94Å; R102-D126 IonicContact NH2-OD1 3.81Å; R102-D126 PolarHBondContact NH2-OD1 3.37Å; R102-E128 HydrophobicContact CG-CB 4.45Å
103K94.3Very high79.9Confident45 Ų4567.4 Ų67.420%0.19636%0.364CS..EExtended strand (participates in β ladder)trans-94.5130178.4-64.8-64.2-178.2-168.70111.8A101 D126 C127 E128 D140 A383 H384A101-K103 PolarHBondContact O-N 3.38Å; K103-D126 PolarHBondContact N-O 3.31Å; K103-C127 CarbonylContact O-C 3.5Å; K103-C127 VanDerWaalsContact O-CA 3.26Å; K103-C127 WeakPolarHBondContact O-CA 3.47Å; K103-E128 PolarHBondContact O-N 3.32Å; K103-D140 WeakPolarHBondContact CA-OD2 3.48Å; K103-D140 HydrophobicContact CB-CB 4.42Å; K103-D140 HydrophobicContact CD-CB 3.83Å; K103-D140 VanDerWaalsContact CD-OD1 3.22Å; K103-D140 WeakPolarHBondContact CD-OD1 3.33Å; K103-D140 IonicContact NZ-OD1 2.68Å; K103-D140 PolarHBondContact NZ-OD1 3.13Å; K103-A383 HydrophobicContact CB-CB 4.02Å; K103-A383 WeakPolarHBondContact CE-O 3.09Å; K103-A383 HydrophobicContact CG-CB 3.99Å; K103-H384 VanDerWaalsContact CG-CE1 3.4Å; K103-H384 WeakPolarHBondContact CG-CE1 3.45Å; K103-H384 WeakPolarHBondContact CG-NE2 3.05Å
104I96.1Very high80.2Confident30 Ų3071.1 Ų71.115%0.15439%0.385CS..EExtended strand (participates in β ladder)trans-92.4118.2176.5-60.9175.2000108.6I130 A139 D140 V141I104-I130 HydrophobicContact CG2-CD1 3.41Å; I104-I130 VanDerWaalsContact CG2-CD1 3.41Å; I104-I130 HydrophobicContact CG2-CG1 3.69Å; I104-I130 HydrophobicContact CG2-CG2 4.42Å; I104-A139 HydrophobicContact CG2-CB 4.08Å; I104-D140 PolarHBondContact N-OD2 3.49Å; I104-D140 PolarHBondContact O-N 3.47Å; I104-V141 PolarHBondContact O-N 3.08Å
105I96.5Very high80.7Confident0 Ų068.9 Ų68.90%038%0.379CS..EExtended strand (participates in β ladder)trans-105.5127.1174.2-58.9169.2000107.2F119 C127 E128 L129 I130 V141 I143 I379I105-F119 HydrophobicContact CD1-CE1 3.67Å; I105-F119 HydrophobicContact CD1-CE2 4.4Å; I105-F119 HydrophobicContact CD1-CZ 3.49Å; I105-F119 VanDerWaalsContact CD1-CZ 3.49Å; I105-C127 HydrophobicContact CD1-CB 3.68Å; I105-C127 HydrophobicContact CG1-CB 4.4Å; I105-E128 PolarHBondContact N-O 2.95Å; I105-L129 HydrophobicContact CB-CD1 4.2Å; I105-L129 HydrophobicContact CG2-CD1 3.75Å; I105-L129 CarbonylContact O-C 3.52Å; I105-L129 WeakPolarHBondContact O-CA 3.38Å; I105-L129 WeakPolarHBondContact O-CD1 3.48Å; I105-I130 WeakPolarHBondContact O-CG1 3.36Å; I105-I130 PolarHBondContact O-N 3.39Å; I105-V141 CarbonylContact C-O 3.6Å; I105-V141 HydrophobicContact CB-CB 4.37Å; I105-V141 HydrophobicContact CG1-CB 4.05Å; I105-V141 HydrophobicContact CG1-CG2 4.26Å; I105-V141 HydrophobicContact CG2-CB 4.24Å; I105-V141 HydrophobicContact CG2-CG1 4.26Å; I105-I143 HydrophobicContact CG2-CD1 3.42Å; I105-I143 VanDerWaalsContact CG2-CD1 3.42Å; I105-I143 HydrophobicContact CG2-CG1 3.88Å; I105-I379 HydrophobicContact CD1-CG2 3.76Å; I105-I379 HydrophobicContact CG1-CG2 4.33Å; I105-I379 HydrophobicContact CG2-CG2 4.31Å
106L97.3Very high81.5Confident0 Ų066.9 Ų66.90%037%0.367CS..EExtended strand (participates in β ladder)trans-112.4120.3179.7173.860.6000110.4Y108 I130 D132 W136 A139 V141 I142 I143L106-Y108 HydrophobicContact CD2-CD2 3.9Å; L106-Y108 HydrophobicContact CG-CD2 4.37Å; L106-Y108 PolarHBondContact O-N 3.24Å; L106-I130 WeakPolarHBondContact CA-O 3.45Å; L106-I130 HydrophobicContact CB-CD1 4.28Å; L106-I130 HydrophobicContact CB-CG1 3.96Å; L106-I130 HydrophobicContact CD1-CD1 4.06Å; L106-I130 HydrophobicContact CD1-CG1 3.79Å; L106-I130 HydrophobicContact CG-CG1 4.45Å; L106-D132 WeakPolarHBondContact CD1-O 3.27Å; L106-W136 HydrophobicContact CD2-CB 3.49Å; L106-W136 VanDerWaalsContact CD2-CB 3.49Å; L106-A139 HydrophobicContact CB-CB 3.75Å; L106-A139 HydrophobicContact CD2-CB 4.34Å; L106-V141 PolarHBondContact N-O 2.69Å; L106-I142 HydrophobicContact CB-CD1 4.08Å; L106-I142 HydrophobicContact CD2-CD1 3.84Å; L106-I142 HydrophobicContact CG-CD1 4.39Å; L106-I143 PolarHBondContact O-N 2.88Å
107N97Very high82.7Confident4 Ų466.7 Ų66.72%0.02136%0.361CS..EExtended strand (participates in β ladder)trans-69.6121162.1-179-59.1000108.7L111 I113 L129 I130 F131N107-L111 PolarHBondContact ND2-O 3.43Å; N107-L111 PolarHBondContact OD1-O 2.96Å; N107-I113 WeakPolarHBondContact ND2-CG1 3.45Å; N107-I113 PolarHBondContact ND2-N 3.01Å; N107-I113 VanDerWaalsContact ND2-N 3.12Å; N107-L129 HydrophobicContact CB-CD1 4.28Å; N107-I130 PolarHBondContact N-O 3.13Å; N107-F131 HydrophobicContact CB-CD1 3.71Å; N107-F131 HydrophobicContact CB-CE1 3.89Å
108Y96.7Very high84.3Confident30 Ų3065.2 Ų65.212%0.11835%0.345CS..EExtended strand (participates in β ladder)trans-125.290.5-176.1-160.3-73.5000110.5L106 R133 W136 I142 I143 L144 T145 L148 Y149 P150L106-Y108 HydrophobicContact CD2-CD2 3.9Å; L106-Y108 HydrophobicContact CG-CD2 4.37Å; L106-Y108 PolarHBondContact O-N 3.24Å; Y108-R133 HydrophobicContact CD2-CB 4.08Å; Y108-R133 HydrophobicContact CD2-CG 4Å; Y108-R133 HydrophobicContact CE2-CB 3.77Å; Y108-R133 HydrophobicContact CE2-CG 4.11Å; Y108-R133 HydrophobicContact CG-CG 4.38Å; Y108-W136 HydrophobicContact CD2-CB 4.18Å; Y108-W136 HydrophobicContact CE2-CB 3.94Å; Y108-W136 HydrophobicContact CE2-CG 4.3Å; Y108-I142 HydrophobicContact CD2-CG2 4.37Å; Y108-I142 HydrophobicContact CG-CG2 4.06Å; Y108-I143 WeakPolarHBondContact CA-O 3.41Å; Y108-I143 PolarHBondContact N-O 3.06Å; Y108-L144 HydrophobicContact CD1-CD2 4Å; Y108-L144 HydrophobicContact CG-CD2 4.27Å; Y108-L144 WeakPolarHBondContact O-CA 3.23Å; Y108-T145 PolarHBondContact O-N 2.86Å; Y108-L148 HydrophobicContact CD1-CB 4.44Å; Y108-L148 HydrophobicContact CE1-CB 4.23Å; Y108-Y149 VanDerWaalsContact CE1-CA 3.4Å; Y108-P150 HydrophobicContact CD1-CG 4.49Å; Y108-P150 HydrophobicContact CD2-CG 3.96Å; Y108-P150 HydrophobicContact CE1-CG 4.19Å; Y108-P150 HydrophobicContact CE2-CB 4.39Å; Y108-P150 HydrophobicContact CE2-CG 3.61Å; Y108-P150 HydrophobicContact CG-CG 4.39Å; Y108-P150 WeakPolarHBondContact OH-CA 3.47Å
109G95.2Very high85.9Confident8 Ų862.4 Ų62.48%0.08232%0.32CS..SBendtrans167.3-175.3175.100000109.4T145G109-T145 WeakPolarHBondContact CA-OG1 3.4Å
110D94.5Very high87.4Confident91 Ų9160 Ų6049%0.48731%0.306SS..SBendtrans-87.5-14.8176.5-60.4-27.8000111.4R133 D146 L148D110-R133 IonicContact OD1-CZ 3.71Å; D110-R133 IonicContact OD1-NH1 2.8Å; D110-R133 PolarHBondContact OD1-NH1 3.33Å; D110-R133 IonicContact OD1-NH2 3.83Å; D110-D146 PolarHBondContact N-OD2 3.02Å; D110-L148 WeakPolarHBondContact OD1-CD1 3.24Å
111L91.7Very high88Confident82 Ų8262.6 Ų62.643%0.42931%0.309SS..SBendtrans-92.3114.1177.6-63.8177000111.8N107 T145 I171N107-L111 PolarHBondContact ND2-O 3.43Å; N107-L111 PolarHBondContact OD1-O 2.96Å; L111-T145 WeakPolarHBondContact O-CB 3.43Å; L111-T145 WeakPolarHBondContact O-CG2 3.38Å; L111-T145 PolarHBondContact O-OG1 2.7Å; L111-I171 HydrophobicContact CD1-CD1 3.2Å; L111-I171 HydrophobicContact CD1-CG1 3.76Å
112Y87.3Confident87.9Confident156 Ų15659.4 Ų59.461%0.61228%0.283SS*.  trans-77.2124.7178.4-69.6-96.7000111.3N114 F131Y112-N114 PolarHBondContact O-N 2.83Å; Y112-F131 AromaticContact CD1-CD1 3.55Å; Y112-F131 HydrophobicContact CD1-CD1 3.55Å; Y112-F131 AromaticContact CD1-CE1 3.66Å; Y112-F131 HydrophobicContact CD1-CE1 3.66Å; Y112-F131 HydrophobicContact CD1-CG 4.46Å; Y112-F131 AromaticContact CE1-CD1 3.74Å; Y112-F131 HydrophobicContact CE1-CD1 3.74Å; Y112-F131 HydrophobicContact CE1-CE1 4.3Å; Y112-F131 HydrophobicContact CE1-CG 4.31Å
113I82.4Confident87.1Confident11 Ų1156.5 Ų56.56%0.05627%0.274CS..  trans-86.8102.1173.9-54.2159.6000108.7N107 I115 I116 I143 T145 F163N107-I113 WeakPolarHBondContact ND2-CG1 3.45Å; N107-I113 PolarHBondContact ND2-N 3.01Å; N107-I113 VanDerWaalsContact ND2-N 3.12Å; I113-I115 HydrophobicContact CG2-CG1 3.68Å; I113-I116 HydrophobicContact CB-CD1 4.29Å; I113-I116 HydrophobicContact CD1-CD1 3.99Å; I113-I116 HydrophobicContact CG2-CB 4.15Å; I113-I116 HydrophobicContact CG2-CD1 3.59Å; I113-I116 HydrophobicContact CG2-CG1 3.62Å; I113-I143 HydrophobicContact CD1-CB 4.25Å; I113-I143 HydrophobicContact CD1-CD1 4.32Å; I113-I143 HydrophobicContact CD1-CG2 3.47Å; I113-I143 VanDerWaalsContact CD1-CG2 3.47Å; I113-T145 HydrophobicContact CD1-CG2 3.51Å; I113-T145 HydrophobicContact CG1-CG2 3.65Å; I113-F163 HydrophobicContact CD1-CB 3.79Å; I113-F163 HydrophobicContact CD1-CD1 4.04Å; I113-F163 HydrophobicContact CD1-CD2 4.01Å; I113-F163 HydrophobicContact CD1-CG 3.67Å; I113-F163 HydrophobicContact CG1-CD1 3.99Å; I113-F163 HydrophobicContact CG1-CE1 4.43Å; I113-F163 HydrophobicContact CG1-CG 4.16Å; I113-F163 HydrophobicContact CG2-CD1 4.48Å; I113-F163 HydrophobicContact CG2-CD2 4.5Å; I113-F163 HydrophobicContact CG2-CE1 4.18Å; I113-F163 HydrophobicContact CG2-CE2 4.16Å; I113-F163 HydrophobicContact CG2-CZ 4.02Å
114N75.7Confident86.3Confident99 Ų9955.1 Ų55.153%0.52927%0.271SS..SBendtrans-78.8-22.5-178.4-73.2-40.5000114.2Y112 I116 R117Y112-N114 PolarHBondContact O-N 2.83Å; N114-I116 VanDerWaalsContact C-N 3.3Å; N114-I116 PolarHBondContact O-N 3.37Å; N114-R117 WeakPolarHBondContact O-CD 3.48Å; N114-R117 WeakPolarHBondContact O-CG 2.92Å; N114-R117 PolarHBondContact OD1-NH2 3.47Å
115I76.9Confident85.6Confident93 Ų9356.7 Ų56.748%0.47728%0.284SS..SBendtrans-76.6-18.6-17667.7174.3000113I113 R117 F163 L195 P375 Q376I113-I115 HydrophobicContact CG2-CG1 3.68Å; I115-R117 PolarHBondContact O-N 2.94Å; I115-F163 HydrophobicContact CD1-CE2 4.16Å; I115-F163 HydrophobicContact CD1-CZ 3.58Å; I115-F163 HydrophobicContact CG1-CZ 4.23Å; I115-L195 HydrophobicContact CD1-CD2 4.26Å; I115-P375 HydrophobicContact CD1-CG 3.51Å; I115-P375 HydrophobicContact CG1-CG 4.22Å; I115-Q376 PolarHBondContact O-OE1 2.74Å
116I79.3Confident85.3Confident0 Ų059.5 Ų59.50%030%0.299CS..  trans-97.974.4178.5-55.4172.1000108.3I113 N114 F119 L129 I143 F163 Q376 I379I113-I116 HydrophobicContact CB-CD1 4.29Å; I113-I116 HydrophobicContact CD1-CD1 3.99Å; I113-I116 HydrophobicContact CG2-CB 4.15Å; I113-I116 HydrophobicContact CG2-CD1 3.59Å; I113-I116 HydrophobicContact CG2-CG1 3.62Å; N114-I116 VanDerWaalsContact C-N 3.3Å; N114-I116 PolarHBondContact O-N 3.37Å; I116-F119 HydrophobicContact CG2-CE1 3.92Å; I116-F119 HydrophobicContact CG2-CE2 4.3Å; I116-F119 HydrophobicContact CG2-CZ 3.42Å; I116-F119 VanDerWaalsContact CG2-CZ 3.42Å; I116-L129 HydrophobicContact CB-CD2 4.32Å; I116-L129 HydrophobicContact CG2-CD2 4.23Å; I116-L129 WeakPolarHBondContact O-CD2 3.22Å; I116-I143 HydrophobicContact CD1-CD1 3.85Å; I116-F163 HydrophobicContact CD1-CD2 4.05Å; I116-F163 HydrophobicContact CD1-CE2 4.03Å; I116-Q376 HydrophobicContact CB-CB 4.16Å; I116-Q376 HydrophobicContact CG1-CB 4.13Å; I116-Q376 HydrophobicContact CG2-CB 3.77Å; I116-I379 HydrophobicContact CD1-CD1 3.41Å; I116-I379 VanDerWaalsContact CD1-CD1 3.41Å; I116-I379 HydrophobicContact CG1-CD1 4.34Å
117R76.8Confident85Confident166 Ų16660.1 Ų60.163%0.62630%0.303SS*.SBendtrans-121.8-23.7178.4-76.4-180-178.6-117.93.1114.3N114 I115N114-R117 WeakPolarHBondContact O-CD 3.48Å; N114-R117 WeakPolarHBondContact O-CG 2.92Å; N114-R117 PolarHBondContact OD1-NH2 3.47Å; I115-R117 PolarHBondContact O-N 2.94Å
118N83.5Confident84.9Confident79 Ų7963.3 Ų63.342%0.42232%0.318SS..  trans-131.8123.5-174.9-175.410000109.3S120 F121N118-S120 PolarHBondContact ND2-OG 2.76Å; N118-S120 VanDerWaalsContact OD1-CB 3.22Å; N118-S120 WeakPolarHBondContact OD1-CB 3.42Å; N118-S120 PolarHBondContact OD1-N 2.74Å; N118-S120 PolarHBondContact OD1-OG 2.83Å; N118-F121 HydrophobicContact CB-CE1 3.79Å; N118-F121 WeakPolarHBondContact O-CE1 3.42Å; N118-F121 WeakPolarHBondContact O-CZ 3.42Å
119F87.3Confident84.8Confident10 Ų1063.1 Ų63.14%0.04432%0.319CS..  trans-105.9-3.3176.8-58.9-86.3000111.9I105 I116 F121 C122 C125 C127 L129 Q376 C380I105-F119 HydrophobicContact CD1-CE1 3.67Å; I105-F119 HydrophobicContact CD1-CE2 4.4Å; I105-F119 HydrophobicContact CD1-CZ 3.49Å; I105-F119 VanDerWaalsContact CD1-CZ 3.49Å; I116-F119 HydrophobicContact CG2-CE1 3.92Å; I116-F119 HydrophobicContact CG2-CE2 4.3Å; I116-F119 HydrophobicContact CG2-CZ 3.42Å; I116-F119 VanDerWaalsContact CG2-CZ 3.42Å; F119-F121 PolarHBondContact O-N 2.91Å; F119-F121 VanDerWaalsContact O-N 3.11Å; F119-C122 VanDerWaalsContact O-CB 3.25Å; F119-C122 WeakPolarHBondContact O-CB 3.41Å; F119-C122 PolarHBondContact O-N 3.25Å; F119-C125 WeakPolarHBondContact CB-O 3.47Å; F119-C125 WeakPolarHBondContact O-CA 3.34Å; F119-C125 WeakPolarHBondContact O-CB 3.21Å; F119-C127 HydrophobicContact CD1-CB 4.05Å; F119-C127 HydrophobicContact CD2-CB 4.07Å; F119-C127 WeakPolarHBondContact CD2-O 3.42Å; F119-C127 HydrophobicContact CE1-CB 4.15Å; F119-C127 HydrophobicContact CE2-CB 4.2Å; F119-C127 HydrophobicContact CG-CB 4Å; F119-C127 HydrophobicContact CZ-CB 4.24Å; F119-L129 HydrophobicContact CE2-CB 4.21Å; F119-Q376 HydrophobicContact CD1-CB 3.98Å; F119-Q376 WeakPolarHBondContact CD1-O 3.48Å; F119-Q376 HydrophobicContact CE1-CB 3.7Å; F119-Q376 VanDerWaalsContact CE1-O 3.3Å; F119-Q376 WeakPolarHBondContact CE1-O 3.4Å; F119-Q376 HydrophobicContact CZ-CB 4.42Å; F119-C380 HydrophobicContact CD1-CB 3.66Å; F119-C380 HydrophobicContact CE1-CB 3.96Å
120S84.1Confident84.8Confident90 Ų9063.2 Ų63.263%0.62932%0.317SS*.THydrogen-bonded Turntrans-62.5-24.8-169.973.40000114.2N118N118-S120 PolarHBondContact ND2-OG 2.76Å; N118-S120 VanDerWaalsContact OD1-CB 3.22Å; N118-S120 WeakPolarHBondContact OD1-CB 3.42Å; N118-S120 PolarHBondContact OD1-N 2.74Å; N118-S120 PolarHBondContact OD1-OG 2.83Å
121F80.2Confident84.8Confident100 Ų10062.5 Ų62.544%0.43931%0.31SS..THydrogen-bonded Turntrans-92.5-6.9177.453-99.6000113.1N118 F119 M374 Q376 C377N118-F121 HydrophobicContact CB-CE1 3.79Å; N118-F121 WeakPolarHBondContact O-CE1 3.42Å; N118-F121 WeakPolarHBondContact O-CZ 3.42Å; F119-F121 PolarHBondContact O-N 2.91Å; F119-F121 VanDerWaalsContact O-N 3.11Å; F121-M374 HydrophobicContact CD2-CE 4.45Å; F121-M374 HydrophobicContact CD2-SD 3.51Å; F121-M374 VanDerWaalsContact CD2-SD 3.51Å; F121-M374 HydrophobicContact CE2-CE 4.35Å; F121-M374 HydrophobicContact CE2-CG 4.21Å; F121-M374 HydrophobicContact CE2-SD 3.17Å; F121-M374 WeakPolarHBondContact CE2-SD 2.95Å; F121-M374 HydrophobicContact CZ-SD 4.14Å; F121-Q376 HydrophobicContact CE2-CG 4.13Å; F121-Q376 HydrophobicContact CZ-CG 4.01Å; F121-Q376 VanDerWaalsContact CZ-NE2 3.31Å; F121-C377 WeakPolarHBondContact CE2-SG 3.37Å
122C81.6Confident85.1Confident10 Ų1062.5 Ų62.57%0.06831%0.31CS..SBendtrans-78.8151.9-179-60.10000111.3F119 A124 C377F119-C122 VanDerWaalsContact O-CB 3.25Å; F119-C122 WeakPolarHBondContact O-CB 3.41Å; F119-C122 PolarHBondContact O-N 3.25Å; C122-A124 WeakPolarHBondContact CB-O 3.3Å; C122-A124 PolarHBondContact O-N 3.33Å; C122-C377 WeakPolarHBondContact CA-SG 3.49Å; C122-C377 HydrophobicContact CB-CB 3.64Å; C122-C377 WeakPolarHBondContact CB-SG 3.43Å; C122-C377 WeakPolarHBondContact SG-CA 3.38Å; C122-C377 WeakPolarHBondContact SG-CB 3.09Å; C122-C377 CovalentContact SG-SG 2.05Å; C122-C377 PolarHBondContact SG-SG 2.83Å
123F75.4Confident85.5Confident83 Ų8359.5 Ų59.536%0.36430%0.298SS..SBendtrans-58.6-47.4174.9179.2-93.1000112.2Y93 L381Y93-F123 HydrophobicContact CD1-CB 3.88Å; Y93-F123 AromaticContact CD1-CD1 3.61Å; Y93-F123 HydrophobicContact CD1-CD1 3.61Å; Y93-F123 HydrophobicContact CD1-CD2 4.28Å; Y93-F123 HydrophobicContact CD1-CE1 4.28Å; Y93-F123 AromaticContact CD1-CG 3.63Å; Y93-F123 HydrophobicContact CD1-CG 3.63Å; Y93-F123 HydrophobicContact CE1-CB 3.91Å; Y93-F123 HydrophobicContact CE1-CD1 4.31Å; Y93-F123 HydrophobicContact CE1-CG 4.19Å; Y93-F123 WeakPolarHBondContact O-CE1 3.37Å; Y93-F123 WeakPolarHBondContact O-CZ 3.48Å; F123-L381 HydrophobicContact CD1-CD1 4.35Å
124A76.9Confident86.2Confident15 Ų1563.1 Ų63.112%0.12432%0.324CS..SBendtrans-96.2117.6162.400000107.5C122 C380 L381C122-A124 WeakPolarHBondContact CB-O 3.3Å; C122-A124 PolarHBondContact O-N 3.33Å; A124-C380 VanDerWaalsContact C-SG 3.6Å; A124-C380 PolarHBondContact O-SG 2.86Å; A124-L381 HydrophobicContact CB-CB 4.4Å; A124-L381 HydrophobicContact CB-CD1 4.35Å
125C80.8Confident87.2Confident64 Ų6462.3 Ų62.343%0.43231%0.313SS..  trans-123.2-15.3-170.260.10000115.1F119 C127F119-C125 WeakPolarHBondContact CB-O 3.47Å; F119-C125 WeakPolarHBondContact O-CA 3.34Å; F119-C125 WeakPolarHBondContact O-CB 3.21Å; C125-C127 PolarHBondContact O-N 3.28Å
126D89.7Confident88.2Confident58 Ų5859.3 Ų59.331%0.3130%0.296SS..  trans-82.968.5-179.7-162.926.2000111.2R102 K103 H384R102-D126 WeakPolarHBondContact CA-OD2 3.44Å; R102-D126 WeakPolarHBondContact CB-OD2 3.35Å; R102-D126 IonicContact CZ-OD1 2.84Å; R102-D126 PolarHBondContact N-OD2 3.37Å; R102-D126 IonicContact NE-OD1 3.7Å; R102-D126 PolarHBondContact NE-OD1 2.94Å; R102-D126 IonicContact NH2-OD1 3.81Å; R102-D126 PolarHBondContact NH2-OD1 3.37Å; K103-D126 PolarHBondContact N-O 3.31Å; D126-H384 PolarHBondContact O-NE2 3.05Å
127C92.3Very high89.1Confident13 Ų1364.2 Ų64.29%0.08832%0.322CS..EExtended strand (participates in β ladder)trans-129147.5173.4-65.70000110.2K103 I105 F119 C125 C380K103-C127 CarbonylContact O-C 3.5Å; K103-C127 VanDerWaalsContact O-CA 3.26Å; K103-C127 WeakPolarHBondContact O-CA 3.47Å; I105-C127 HydrophobicContact CD1-CB 3.68Å; I105-C127 HydrophobicContact CG1-CB 4.4Å; F119-C127 HydrophobicContact CD1-CB 4.05Å; F119-C127 HydrophobicContact CD2-CB 4.07Å; F119-C127 WeakPolarHBondContact CD2-O 3.42Å; F119-C127 HydrophobicContact CE1-CB 4.15Å; F119-C127 HydrophobicContact CE2-CB 4.2Å; F119-C127 HydrophobicContact CG-CB 4Å; F119-C127 HydrophobicContact CZ-CB 4.24Å; C125-C127 PolarHBondContact O-N 3.28Å; C127-C380 HydrophobicContact CB-CB 3.9Å; C127-C380 WeakPolarHBondContact CB-SG 3.41Å; C127-C380 WeakPolarHBondContact SG-CA 3.38Å; C127-C380 WeakPolarHBondContact SG-CB 3.36Å; C127-C380 CovalentContact SG-SG 2.03Å; C127-C380 PolarHBondContact SG-SG 2.92Å
128E93.7Very high90Very high71 Ų7161.2 Ų61.233%0.33232%0.315SS..EExtended strand (participates in β ladder)trans-121.7129.7175.7180-177.6160.500109.2R102 K103 I105 I130R102-E128 HydrophobicContact CG-CB 4.45Å; K103-E128 PolarHBondContact O-N 3.32Å; I105-E128 PolarHBondContact N-O 2.95Å; E128-I130 HydrophobicContact CG-CG2 4.06Å; E128-I130 WeakPolarHBondContact OE1-CG2 3.25Å
129L94.9Very high90.7Very high27 Ų2757.6 Ų57.614%0.14130%0.296CS..EExtended strand (participates in β ladder)trans-91.1124.1170.2-177.568000110I105 N107 I116 F119 F131I105-L129 HydrophobicContact CB-CD1 4.2Å; I105-L129 HydrophobicContact CG2-CD1 3.75Å; I105-L129 CarbonylContact O-C 3.52Å; I105-L129 WeakPolarHBondContact O-CA 3.38Å; I105-L129 WeakPolarHBondContact O-CD1 3.48Å; N107-L129 HydrophobicContact CB-CD1 4.28Å; I116-L129 HydrophobicContact CB-CD2 4.32Å; I116-L129 HydrophobicContact CG2-CD2 4.23Å; I116-L129 WeakPolarHBondContact O-CD2 3.22Å; F119-L129 HydrophobicContact CE2-CB 4.21Å; L129-F131 HydrophobicContact CD2-CE1 4.03Å; L129-F131 HydrophobicContact CD2-CE2 3.93Å; L129-F131 HydrophobicContact CD2-CZ 3.39Å; L129-F131 HydrophobicContact CG-CE2 4.05Å; L129-F131 HydrophobicContact CG-CZ 3.96Å
130I95.5Very high91.1Very high9 Ų959.3 Ų59.35%0.04631%0.306CS..EExtended strand (participates in β ladder)trans-116.1160.9172.463.1163000110.8I104 I105 L106 N107 E128 R135I104-I130 HydrophobicContact CG2-CD1 3.41Å; I104-I130 VanDerWaalsContact CG2-CD1 3.41Å; I104-I130 HydrophobicContact CG2-CG1 3.69Å; I104-I130 HydrophobicContact CG2-CG2 4.42Å; I105-I130 WeakPolarHBondContact O-CG1 3.36Å; I105-I130 PolarHBondContact O-N 3.39Å; L106-I130 WeakPolarHBondContact CA-O 3.45Å; L106-I130 HydrophobicContact CB-CD1 4.28Å; L106-I130 HydrophobicContact CB-CG1 3.96Å; L106-I130 HydrophobicContact CD1-CD1 4.06Å; L106-I130 HydrophobicContact CD1-CG1 3.79Å; L106-I130 HydrophobicContact CG-CG1 4.45Å; N107-I130 PolarHBondContact N-O 3.13Å; E128-I130 HydrophobicContact CG-CG2 4.06Å; E128-I130 WeakPolarHBondContact OE1-CG2 3.25Å; I130-R135 HydrophobicContact CD1-CB 3.86Å
131F95.3Very high91.7Very high76 Ų7655 Ų5533%0.33328%0.276SS..  trans-125.6-8.2-177.1-62.4-90.1000113.4N107 Y112 L129 R133N107-F131 HydrophobicContact CB-CD1 3.71Å; N107-F131 HydrophobicContact CB-CE1 3.89Å; Y112-F131 AromaticContact CD1-CD1 3.55Å; Y112-F131 HydrophobicContact CD1-CD1 3.55Å; Y112-F131 AromaticContact CD1-CE1 3.66Å; Y112-F131 HydrophobicContact CD1-CE1 3.66Å; Y112-F131 HydrophobicContact CD1-CG 4.46Å; Y112-F131 AromaticContact CE1-CD1 3.74Å; Y112-F131 HydrophobicContact CE1-CD1 3.74Å; Y112-F131 HydrophobicContact CE1-CE1 4.3Å; Y112-F131 HydrophobicContact CE1-CG 4.31Å; L129-F131 HydrophobicContact CD2-CE1 4.03Å; L129-F131 HydrophobicContact CD2-CE2 3.93Å; L129-F131 HydrophobicContact CD2-CZ 3.39Å; L129-F131 HydrophobicContact CG-CE2 4.05Å; L129-F131 HydrophobicContact CG-CZ 3.96Å; F131-R133 PolarHBondContact O-N 3.34Å; F131-R133 VanDerWaalsContact O-N 3.1Å
132D96.8Very high92.6Very high83 Ų8350.3 Ų50.344%0.44426%0.255SS..  trans-75.3102177.11790.3000110L106 S134 R135L106-D132 WeakPolarHBondContact CD1-O 3.27Å; D132-S134 PolarHBondContact O-N 2.96Å; D132-S134 VanDerWaalsContact O-N 3.11Å; D132-S134 VanDerWaalsContact OD1-CB 3.3Å; D132-S134 WeakPolarHBondContact OD1-CB 3.26Å; D132-S134 PolarHBondContact OD1-N 3.26Å; D132-S134 PolarHBondContact OD1-OG 3.18Å; D132-S134 PolarHBondContact OD2-OG 3.39Å; D132-S134 VanDerWaalsContact OD2-OG 3.1Å; D132-R135 HydrophobicContact CB-CG 4.28Å; D132-R135 WeakPolarHBondContact O-CB 3.4Å; D132-R135 PolarHBondContact O-N 3.34Å; D132-R135 VanDerWaalsContact O-N 3.07Å
133R96.6Very high93.3Very high93 Ų9349.8 Ų49.835%0.35125%0.252SS..G310 helixtrans-60.5-20.1-179-65-169.2-63.5-153.30.2113.7Y108 D110 F131 R135 W136Y108-R133 HydrophobicContact CD2-CB 4.08Å; Y108-R133 HydrophobicContact CD2-CG 4Å; Y108-R133 HydrophobicContact CE2-CB 3.77Å; Y108-R133 HydrophobicContact CE2-CG 4.11Å; Y108-R133 HydrophobicContact CG-CG 4.38Å; D110-R133 IonicContact OD1-CZ 3.71Å; D110-R133 IonicContact OD1-NH1 2.8Å; D110-R133 PolarHBondContact OD1-NH1 3.33Å; D110-R133 IonicContact OD1-NH2 3.83Å; F131-R133 PolarHBondContact O-N 3.34Å; F131-R133 VanDerWaalsContact O-N 3.1Å; R133-R135 PolarHBondContact O-N 2.94Å; R133-W136 VanDerWaalsContact O-CD1 3.32Å; R133-W136 PolarHBondContact O-N 3.43Å
134S96.7Very high94.4Very high86 Ų8645.9 Ų45.960%0.60124%0.235SC*.G310 helixtrans-69.1-25.1177.3750000112.3D132 W136D132-S134 PolarHBondContact O-N 2.96Å; D132-S134 VanDerWaalsContact O-N 3.11Å; D132-S134 VanDerWaalsContact OD1-CB 3.3Å; D132-S134 WeakPolarHBondContact OD1-CB 3.26Å; D132-S134 PolarHBondContact OD1-N 3.26Å; D132-S134 PolarHBondContact OD1-OG 3.18Å; D132-S134 PolarHBondContact OD2-OG 3.39Å; D132-S134 VanDerWaalsContact OD2-OG 3.1Å; S134-W136 PolarHBondContact O-N 3.02Å
135R97.3Very high95.3Very high82 Ų8245.2 Ų45.231%0.30923%0.229SC..G310 helixtrans-83.114.3179.2-63.117562.8-163.6-5.3113.7I130 D132 R133 L137 E138 A139I130-R135 HydrophobicContact CD1-CB 3.86Å; D132-R135 HydrophobicContact CB-CG 4.28Å; D132-R135 WeakPolarHBondContact O-CB 3.4Å; D132-R135 PolarHBondContact O-N 3.34Å; D132-R135 VanDerWaalsContact O-N 3.07Å; R133-R135 PolarHBondContact O-N 2.94Å; R135-L137 PolarHBondContact O-N 3.12Å; R135-L137 VanDerWaalsContact O-N 3.15Å; R135-E138 HydrophobicContact CB-CG 3.98Å; R135-E138 IonicContact CZ-OE1 3.19Å; R135-E138 IonicContact NE-OE1 3.4Å; R135-E138 PolarHBondContact NE-OE1 3.45Å; R135-E138 IonicContact NH2-OE1 2.83Å; R135-E138 PolarHBondContact NH2-OE1 3.17Å; R135-E138 WeakPolarHBondContact O-CG 3.42Å; R135-E138 PolarHBondContact O-N 3.44Å; R135-A139 PolarHBondContact O-N 3.06Å
136W97.5Very high95.9Very high30 Ų3042.7 Ų42.711%0.11421%0.211CC..G310 helixtrans-63.1-23.1-176.877.7-86.4000114.2L106 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 4.18Å; Y108-W136 HydrophobicContact CE2-CB 3.94Å; Y108-W136 HydrophobicContact CE2-CG 4.3Å; R133-W136 VanDerWaalsContact O-CD1 3.32Å; R133-W136 PolarHBondContact O-N 3.43Å; S134-W136 PolarHBondContact O-N 3.02Å; W136-I142 HydrophobicContact CB-CD1 3.93Å; W136-P150 HydrophobicContact CB-CG 4.17Å; W136-P150 HydrophobicContact CD2-CB 3.44Å; W136-P150 VanDerWaalsContact CD2-CB 3.44Å; W136-P150 HydrophobicContact CD2-CG 3.81Å; W136-P150 HydrophobicContact CE3-CB 3.44Å; W136-P150 VanDerWaalsContact CE3-CB 3.44Å; W136-P150 HydrophobicContact CE3-CG 3.71Å; W136-P150 HydrophobicContact CG-CB 4Å; W136-P150 HydrophobicContact CG-CG 4.02Å; W136-P150 HydrophobicContact CH2-CB 3.98Å; W136-P150 HydrophobicContact CZ2-CB 3.99Å; W136-P150 HydrophobicContact CZ3-CB 3.71Å; W136-P150 HydrophobicContact CZ3-CG 4.35Å; W136-P153 WeakPolarHBondContact CH2-O 3.28Å; W136-Q158 PolarHBondContact O-NE2 3.43Å
137L97.6Very high96.1Very high104 Ų10444.6 Ų44.655%0.54522%0.218SC..G310 helixtrans-72-29.2178.4-74.3170.6000113.4R135 P155R135-L137 PolarHBondContact O-N 3.12Å; R135-L137 VanDerWaalsContact O-N 3.15Å; L137-P155 HydrophobicContact CD2-CG 4.07Å
138E96.3Very high96.3Very high102 Ų10246.2 Ų46.248%0.47723%0.226SC..THydrogen-bonded Turntrans-93-13.2178.757.8170.9-13200113.2R135R135-E138 HydrophobicContact CB-CG 3.98Å; R135-E138 IonicContact CZ-OE1 3.19Å; R135-E138 IonicContact NE-OE1 3.4Å; R135-E138 PolarHBondContact NE-OE1 3.45Å; R135-E138 IonicContact NH2-OE1 2.83Å; R135-E138 PolarHBondContact NH2-OE1 3.17Å; R135-E138 WeakPolarHBondContact O-CG 3.42Å; R135-E138 PolarHBondContact O-N 3.44Å
139A97.7Very high96.4Very high4 Ų444.9 Ų44.93%0.03322%0.218CC..  trans-67.9135179.100000111.7I104 L106 R135 I142 Q158I104-A139 HydrophobicContact CG2-CB 4.08Å; L106-A139 HydrophobicContact CB-CB 3.75Å; L106-A139 HydrophobicContact CD2-CB 4.34Å; R135-A139 PolarHBondContact O-N 3.06Å; A139-I142 HydrophobicContact CB-CD1 3.73Å; A139-Q158 WeakPolarHBondContact O-CG 3.32Å; A139-Q158 PolarHBondContact O-NE2 3.05Å
140D96.7Very high96.4Very high46 Ų4643.8 Ų43.825%0.24621%0.212CC..SBendtrans-75-32.1170.9-63.7-95000111.6K103 I104 Q158 L159K103-D140 WeakPolarHBondContact CA-OD2 3.48Å; K103-D140 HydrophobicContact CB-CB 4.42Å; K103-D140 HydrophobicContact CD-CB 3.83Å; K103-D140 VanDerWaalsContact CD-OD1 3.22Å; K103-D140 WeakPolarHBondContact CD-OD1 3.33Å; K103-D140 IonicContact NZ-OD1 2.68Å; K103-D140 PolarHBondContact NZ-OD1 3.13Å; I104-D140 PolarHBondContact N-OD2 3.49Å; I104-D140 PolarHBondContact O-N 3.47Å; D140-Q158 CarbonylContact O-C 3.49Å; D140-Q158 VanDerWaalsContact O-CA 3.31Å; D140-Q158 WeakPolarHBondContact O-CA 3.45Å; D140-L159 PolarHBondContact O-N 3.19Å
141V97.3Very high96.3Very high0 Ų050.4 Ų50.40%024%0.241CC..EExtended strand (participates in β ladder)trans-130.2130.7-179.6-178.40000110.1I104 I105 L106 I143 L159 F161 I379 A383I104-V141 PolarHBondContact O-N 3.08Å; I105-V141 CarbonylContact C-O 3.6Å; I105-V141 HydrophobicContact CB-CB 4.37Å; I105-V141 HydrophobicContact CG1-CB 4.05Å; I105-V141 HydrophobicContact CG1-CG2 4.26Å; I105-V141 HydrophobicContact CG2-CB 4.24Å; I105-V141 HydrophobicContact CG2-CG1 4.26Å; L106-V141 PolarHBondContact N-O 2.69Å; V141-I143 HydrophobicContact CG1-CG1 4.13Å; V141-L159 CarbonylContact C-O 3.54Å; V141-L159 WeakPolarHBondContact CA-O 3.34Å; V141-L159 HydrophobicContact CG2-CB 4.28Å; V141-L159 HydrophobicContact CG2-CD1 4.32Å; V141-F161 HydrophobicContact CG1-CD2 3.39Å; V141-F161 HydrophobicContact CG1-CE2 3.54Å; V141-F161 HydrophobicContact CG1-CG 4.35Å; V141-F161 HydrophobicContact CG2-CE2 4.45Å; V141-I379 HydrophobicContact CG1-CG2 4.14Å; V141-A383 HydrophobicContact CG2-CB 3.55Å
142I97.7Very high96.1Very high0 Ų049 Ų490%025%0.248CC..EExtended strand (participates in β ladder)trans-105.5125.5168.8-53.7-60000108.1L106 Y108 W136 A139 L144 P150 Q158 L159 W160 F161L106-I142 HydrophobicContact CB-CD1 4.08Å; L106-I142 HydrophobicContact CD2-CD1 3.84Å; L106-I142 HydrophobicContact CG-CD1 4.39Å; Y108-I142 HydrophobicContact CD2-CG2 4.37Å; Y108-I142 HydrophobicContact CG-CG2 4.06Å; W136-I142 HydrophobicContact CB-CD1 3.93Å; A139-I142 HydrophobicContact CB-CD1 3.73Å; I142-L144 HydrophobicContact CG2-CD2 3.56Å; I142-L144 HydrophobicContact CG2-CG 4.36Å; I142-P150 HydrophobicContact CG2-CG 4.41Å; I142-Q158 HydrophobicContact CG1-CG 4.02Å; I142-L159 PolarHBondContact N-O 3.49Å; I142-W160 HydrophobicContact CB-CG 4.21Å; I142-W160 CarbonylContact O-C 3.58Å; I142-W160 WeakPolarHBondContact O-CA 3.29Å; I142-F161 PolarHBondContact O-N 2.84Å
143I97.4Very high95.9Very high0 Ų050.6 Ų50.60%026%0.263CS..EExtended strand (participates in β ladder)trans-107.2103.4172.1-52.1176.8000108.6I105 L106 Y108 I113 I116 V141 T145 F161 F163 I379I105-I143 HydrophobicContact CG2-CD1 3.42Å; I105-I143 VanDerWaalsContact CG2-CD1 3.42Å; I105-I143 HydrophobicContact CG2-CG1 3.88Å; L106-I143 PolarHBondContact O-N 2.88Å; Y108-I143 WeakPolarHBondContact CA-O 3.41Å; Y108-I143 PolarHBondContact N-O 3.06Å; I113-I143 HydrophobicContact CD1-CB 4.25Å; I113-I143 HydrophobicContact CD1-CD1 4.32Å; I113-I143 HydrophobicContact CD1-CG2 3.47Å; I113-I143 VanDerWaalsContact CD1-CG2 3.47Å; I116-I143 HydrophobicContact CD1-CD1 3.85Å; V141-I143 HydrophobicContact CG1-CG1 4.13Å; I143-T145 HydrophobicContact CG2-CG2 4.33Å; I143-F161 HydrophobicContact CG1-CB 4.3Å; I143-F161 HydrophobicContact CG2-CB 4.36Å; I143-F163 HydrophobicContact CG2-CB 3.35Å; I143-F163 HydrophobicContact CG2-CG 4.34Å; I143-I379 HydrophobicContact CD1-CD1 3.89Å; I143-I379 HydrophobicContact CD1-CG2 4.4Å
144L97.1Very high95.7Very high0 Ų050 Ų500%026%0.261CS..EExtended strand (participates in β ladder)trans-75.4123.4173.9-51.9-175.8000109.7Y108 I142 W160 F161 I162 F163 L177 I181Y108-L144 HydrophobicContact CD1-CD2 4Å; Y108-L144 HydrophobicContact CG-CD2 4.27Å; Y108-L144 WeakPolarHBondContact O-CA 3.23Å; I142-L144 HydrophobicContact CG2-CD2 3.56Å; I142-L144 HydrophobicContact CG2-CG 4.36Å; L144-W160 HydrophobicContact CD1-CE3 4.01Å; L144-W160 HydrophobicContact CD1-CZ3 4.35Å; L144-F161 WeakPolarHBondContact CB-O 3.42Å; L144-F161 PolarHBondContact N-O 2.99Å; L144-I162 HydrophobicContact CB-CG1 4.28Å; L144-I162 WeakPolarHBondContact O-CA 3.38Å; L144-F163 PolarHBondContact O-N 2.84Å; L144-L177 HydrophobicContact CD1-CD1 3.77Å; L144-L177 HydrophobicContact CD1-CD2 4.07Å; L144-I181 HydrophobicContact CD1-CD1 3.54Å; L144-I181 HydrophobicContact CG-CD1 4.45Å
145T96Very high95.6Very high2 Ų247.4 Ų47.41%0.01224%0.241CC..  trans-108-7-178.358.40000114.2Y108 G109 L111 I113 I143 F163 V164Y108-T145 PolarHBondContact O-N 2.86Å; G109-T145 WeakPolarHBondContact CA-OG1 3.4Å; L111-T145 WeakPolarHBondContact O-CB 3.43Å; L111-T145 WeakPolarHBondContact O-CG2 3.38Å; L111-T145 PolarHBondContact O-OG1 2.7Å; I113-T145 HydrophobicContact CD1-CG2 3.51Å; I113-T145 HydrophobicContact CG1-CG2 3.65Å; I143-T145 HydrophobicContact CG2-CG2 4.33Å; T145-F163 WeakPolarHBondContact CA-O 3.26Å; T145-V164 WeakPolarHBondContact O-CG1 3.48Å
146D94.7Very high95.4Very high10 Ų1049 Ų495%0.05326%0.263CS..SBendtrans-157.7-152.617857.735.6000110.8D110 L148 I171 R172D110-D146 PolarHBondContact N-OD2 3.02Å; D146-L148 PolarHBondContact O-N 3.16Å; D146-L148 WeakPolarHBondContact OD1-CB 3.16Å; D146-L148 WeakPolarHBondContact OD1-CG 3.34Å; D146-L148 PolarHBondContact OD1-N 2.73Å; D146-I171 HydrophobicContact CB-CG2 4.03Å; D146-R172 CarbonylContact C-O 3.6Å
147H94.3Very high95.1Very high99 Ų9954.5 Ų54.546%0.45829%0.294SS..SBendtrans-70.6-12.8179.170.5-66.9000114.4R172 A174H147-R172 WeakPolarHBondContact CA-O 3.25Å; H147-R172 WeakPolarHBondContact CB-O 3.47Å; H147-R172 PolarHBondContact N-O 2.77Å; H147-R172 VanDerWaalsContact N-O 3.14Å; H147-A174 HydrophobicContact CB-CB 4.35Å; H147-A174 WeakPolarHBondContact O-CB 3.36Å
148L95.4Very high95Very high46 Ų4649.9 Ų49.924%0.24127%0.27CS..  trans-79.7139.6-177.8-59.7176000110.4Y108 D110 D146Y108-L148 HydrophobicContact CD1-CB 4.44Å; Y108-L148 HydrophobicContact CE1-CB 4.23Å; D110-L148 WeakPolarHBondContact OD1-CD1 3.24Å; D146-L148 PolarHBondContact O-N 3.16Å; D146-L148 WeakPolarHBondContact OD1-CB 3.16Å; D146-L148 WeakPolarHBondContact OD1-CG 3.34Å; D146-L148 PolarHBondContact OD1-N 2.73Å
149Y95.5Very high95Very high44 Ų4445.8 Ų45.817%0.17325%0.251CS..  trans-154.1152.8174.866.3-83.5000110.4Y108 K151 W160 A174 L177Y108-Y149 VanDerWaalsContact CE1-CA 3.4Å; Y149-K151 HydrophobicContact CD2-CD 4.45Å; Y149-K151 HydrophobicContact CE2-CD 3.98Å; Y149-K151 PolarHBondContact O-N 3.42Å; Y149-K151 PolarHBondContact OH-NZ 3.37Å; Y149-W160 HydrophobicContact CD2-CH2 4.26Å; Y149-W160 HydrophobicContact CD2-CZ3 4.17Å; Y149-A174 HydrophobicContact CD1-CB 3.73Å; Y149-A174 HydrophobicContact CE1-CB 3.52Å; Y149-L177 HydrophobicContact CD1-CD1 4.44Å; Y149-L177 HydrophobicContact CD1-CD2 4.15Å; Y149-L177 HydrophobicContact CD1-CG 4.32Å; Y149-L177 HydrophobicContact CD2-CD2 3.82Å; Y149-L177 HydrophobicContact CE2-CD2 4.33Å; Y149-L177 HydrophobicContact CG-CD2 3.71Å; Y149-L177 HydrophobicContact CG-CG 4.37Å
150P95.6Very high94.9Very high3 Ų345.9 Ų45.92%0.01925%0.251CS..  trans-55.5135.9178.2-24.431.2000113.5Y108 W136 I142 W160Y108-P150 HydrophobicContact CD1-CG 4.49Å; Y108-P150 HydrophobicContact CD2-CG 3.96Å; Y108-P150 HydrophobicContact CE1-CG 4.19Å; Y108-P150 HydrophobicContact CE2-CB 4.39Å; Y108-P150 HydrophobicContact CE2-CG 3.61Å; Y108-P150 HydrophobicContact CG-CG 4.39Å; Y108-P150 WeakPolarHBondContact OH-CA 3.47Å; W136-P150 HydrophobicContact CB-CG 4.17Å; W136-P150 HydrophobicContact CD2-CB 3.44Å; W136-P150 VanDerWaalsContact CD2-CB 3.44Å; W136-P150 HydrophobicContact CD2-CG 3.81Å; W136-P150 HydrophobicContact CE3-CB 3.44Å; W136-P150 VanDerWaalsContact CE3-CB 3.44Å; W136-P150 HydrophobicContact CE3-CG 3.71Å; W136-P150 HydrophobicContact CG-CB 4Å; W136-P150 HydrophobicContact CG-CG 4.02Å; W136-P150 HydrophobicContact CH2-CB 3.98Å; W136-P150 HydrophobicContact CZ2-CB 3.99Å; W136-P150 HydrophobicContact CZ3-CB 3.71Å; W136-P150 HydrophobicContact CZ3-CG 4.35Å; I142-P150 HydrophobicContact CG2-CG 4.41Å; P150-W160 HydrophobicContact CB-CH2 4.15Å; P150-W160 HydrophobicContact CB-CZ2 4.06Å; P150-W160 HydrophobicContact CG-CH2 4.06Å; P150-W160 HydrophobicContact CG-CZ2 3.84Å
151K92.8Very high95Very high148 Ų14843.7 Ų43.764%0.64324%0.239SC*.  trans-97.5104.5172-52.5-54.8-174-170.90108.6Y149Y149-K151 HydrophobicContact CD2-CD 4.45Å; Y149-K151 HydrophobicContact CE2-CD 3.98Å; Y149-K151 PolarHBondContact O-N 3.42Å; Y149-K151 PolarHBondContact OH-NZ 3.37Å
152G91.6Very high94.9Very high47 Ų4743.7 Ų43.749%0.48524%0.239SC..SBendtrans160.2176.8178.300000113.2R154G152-R154 PolarHBondContact O-N 3.24Å
153P92.5Very high94.8Very high117 Ų11744.5 Ų44.576%0.7624%0.243SC*.PPolyproline II helixtrans-65.5128.5171.428.9-33000109.2W136 P155W136-P153 WeakPolarHBondContact CH2-O 3.28Å; P153-P155 WeakPolarHBondContact O-CD 3.28Å
154R92.9Very high94.7Very high81 Ų8144.6 Ų44.631%0.30624%0.243SC..PPolyproline II helixtrans-71.6126.9176.4176.7176.2171171.9-7.6110.1G152 Q158 K180 N182G152-R154 PolarHBondContact O-N 3.24Å; R154-Q158 HydrophobicContact CG-CB 4.44Å; R154-Q158 PolarHBondContact NE-O 3.2Å; R154-Q158 PolarHBondContact NH2-O 2.86Å; R154-K180 PolarHBondContact NH1-O 3.13Å; R154-N182 PolarHBondContact NH2-OD1 3.28Å
155P94.9Very high94.4Very high30 Ų3046.8 Ų46.820%0.19525%0.253CS..PPolyproline II helixtrans-54.8146.5173.6-26.433.9000112.6L137 P153 Q158L137-P155 HydrophobicContact CD2-CG 4.07Å; P153-P155 WeakPolarHBondContact O-CD 3.28Å; P155-Q158 HydrophobicContact CB-CB 4.21Å; P155-Q158 PolarHBondContact O-N 3.04Å
156P91.5Very high94.4Very high117 Ų11750.2 Ų50.276%0.7627%0.269SS*.THydrogen-bonded Turntrans-55142173.7-23.733.6000111.6Q158P156-Q158 PolarHBondContact O-N 3.29Å
157N90.9Very high94.5Very high145 Ų14549.7 Ų49.778%0.77527%0.266SS*.THydrogen-bonded Turntrans62.1-8.8177.8-52.7-41.6000117.2L159N157-L159 PolarHBondContact O-N 3.16Å
158Q95.6Very high94.5Very high6 Ų645.1 Ų45.13%0.02825%0.245CC..  trans-58.1132.9170.2176.8177.490.300108.7W136 A139 D140 I142 R154 P155 P156W136-Q158 PolarHBondContact O-NE2 3.43Å; A139-Q158 WeakPolarHBondContact O-CG 3.32Å; A139-Q158 PolarHBondContact O-NE2 3.05Å; D140-Q158 CarbonylContact O-C 3.49Å; D140-Q158 VanDerWaalsContact O-CA 3.31Å; D140-Q158 WeakPolarHBondContact O-CA 3.45Å; I142-Q158 HydrophobicContact CG1-CG 4.02Å; R154-Q158 HydrophobicContact CG-CB 4.44Å; R154-Q158 PolarHBondContact NE-O 3.2Å; R154-Q158 PolarHBondContact NH2-O 2.86Å; P155-Q158 HydrophobicContact CB-CB 4.21Å; P155-Q158 PolarHBondContact O-N 3.04Å; P156-Q158 PolarHBondContact O-N 3.29Å
159L96.2Very high94.5Very high17 Ų1747 Ų479%0.08926%0.255CS..EExtended strand (participates in β ladder)trans-99.2142179.5-60.2172.3000111.1D140 V141 I142 N157 F161 N182 Y183 A386D140-L159 PolarHBondContact O-N 3.19Å; V141-L159 CarbonylContact C-O 3.54Å; V141-L159 WeakPolarHBondContact CA-O 3.34Å; V141-L159 HydrophobicContact CG2-CB 4.28Å; V141-L159 HydrophobicContact CG2-CD1 4.32Å; I142-L159 PolarHBondContact N-O 3.49Å; N157-L159 PolarHBondContact O-N 3.16Å; L159-F161 HydrophobicContact CB-CD2 4.34Å; L159-F161 HydrophobicContact CB-CE2 3.92Å; L159-F161 HydrophobicContact CD1-CE2 4.26Å; L159-N182 WeakPolarHBondContact CA-OD1 3.3Å; L159-Y183 HydrophobicContact CD1-CE2 4.26Å; L159-Y183 HydrophobicContact CD2-CE2 4.28Å; L159-A386 HydrophobicContact CD1-CB 3.67Å; L159-A386 HydrophobicContact CD2-CB 3.88Å; L159-A386 HydrophobicContact CG-CB 4.37Å
160W97.3Very high94.4Very high6 Ų648.2 Ų48.22%0.02327%0.27CS..EExtended strand (participates in β ladder)trans-116.7122.6176.4-74.828.1000109.4I142 L144 Y149 P150 L177 K180 I181 N182 Y183I142-W160 HydrophobicContact CB-CG 4.21Å; I142-W160 CarbonylContact O-C 3.58Å; I142-W160 WeakPolarHBondContact O-CA 3.29Å; L144-W160 HydrophobicContact CD1-CE3 4.01Å; L144-W160 HydrophobicContact CD1-CZ3 4.35Å; Y149-W160 HydrophobicContact CD2-CH2 4.26Å; Y149-W160 HydrophobicContact CD2-CZ3 4.17Å; P150-W160 HydrophobicContact CB-CH2 4.15Å; P150-W160 HydrophobicContact CB-CZ2 4.06Å; P150-W160 HydrophobicContact CG-CH2 4.06Å; P150-W160 HydrophobicContact CG-CZ2 3.84Å; W160-L177 HydrophobicContact CE3-CD2 4.14Å; W160-L177 HydrophobicContact CZ3-CD2 3.66Å; W160-K180 HydrophobicContact CE3-CB 4.36Å; W160-I181 HydrophobicContact CB-CD1 3.97Å; W160-I181 HydrophobicContact CE3-CD1 4.03Å; W160-N182 PolarHBondContact N-OD1 3.38Å; W160-N182 PolarHBondContact O-N 3.02Å; W160-Y183 PolarHBondContact O-N 3.19Å
161F97.1Very high94.4Very high0 Ų048.9 Ų48.90%027%0.273CS..EExtended strand (participates in β ladder)trans-107.3149175-72.8-114.5000109.2V141 I142 I143 L144 L159 Y183 I185 I193 I379 L382V141-F161 HydrophobicContact CG1-CD2 3.39Å; V141-F161 HydrophobicContact CG1-CE2 3.54Å; V141-F161 HydrophobicContact CG1-CG 4.35Å; V141-F161 HydrophobicContact CG2-CE2 4.45Å; I142-F161 PolarHBondContact O-N 2.84Å; I143-F161 HydrophobicContact CG1-CB 4.3Å; I143-F161 HydrophobicContact CG2-CB 4.36Å; L144-F161 WeakPolarHBondContact CB-O 3.42Å; L144-F161 PolarHBondContact N-O 2.99Å; L159-F161 HydrophobicContact CB-CD2 4.34Å; L159-F161 HydrophobicContact CB-CE2 3.92Å; L159-F161 HydrophobicContact CD1-CE2 4.26Å; F161-Y183 CarbonylContact C-O 3.54Å; F161-Y183 WeakPolarHBondContact CA-O 3.48Å; F161-Y183 HydrophobicContact CD1-CD2 4.3Å; F161-Y183 HydrophobicContact CD1-CG 4.41Å; F161-Y183 HydrophobicContact CD2-CD2 4.21Å; F161-Y183 AromaticContact CE1-CD2 3.67Å; F161-Y183 HydrophobicContact CE1-CD2 3.67Å; F161-Y183 AromaticContact CE1-CG 3.97Å; F161-Y183 HydrophobicContact CE1-CG 3.97Å; F161-Y183 AromaticContact CE2-CD2 3.58Å; F161-Y183 HydrophobicContact CE2-CD2 3.58Å; F161-Y183 HydrophobicContact CE2-CE2 4.3Å; F161-Y183 AromaticContact CZ-CD2 3.28Å; F161-Y183 HydrophobicContact CZ-CD2 3.28Å; F161-Y183 HydrophobicContact CZ-CE2 4.04Å; F161-Y183 HydrophobicContact CZ-CG 4.06Å; F161-I185 HydrophobicContact CD1-CD1 3.77Å; F161-I185 HydrophobicContact CD1-CG1 4.05Å; F161-I185 HydrophobicContact CE1-CD1 4.22Å; F161-I193 HydrophobicContact CE1-CD1 4.14Å; F161-I379 HydrophobicContact CD1-CG1 4.1Å; F161-I379 HydrophobicContact CE1-CB 4.45Å; F161-I379 HydrophobicContact CE1-CG1 3.83Å; F161-I379 HydrophobicContact CZ-CG1 4.37Å; F161-I379 HydrophobicContact CZ-CG2 4.29Å; F161-L382 HydrophobicContact CE1-CD1 3.99Å; F161-L382 HydrophobicContact CZ-CB 4.04Å; F161-L382 HydrophobicContact CZ-CD1 3.89Å
162I96.4Very high94.5Very high0 Ų048.6 Ų48.60%027%0.268CS..EExtended strand (participates in β ladder)trans-102133.7156.1-77.2174.6000107.7L144 V164 I173 I181 Y183 T184 I185 V397L144-I162 HydrophobicContact CB-CG1 4.28Å; L144-I162 WeakPolarHBondContact O-CA 3.38Å; I162-V164 HydrophobicContact CG2-CB 4.43Å; I162-V164 HydrophobicContact CG2-CG1 4.08Å; I162-V164 HydrophobicContact CG2-CG2 3.62Å; I162-I173 HydrophobicContact CD1-CB 4.45Å; I162-I173 HydrophobicContact CD1-CD1 3.79Å; I162-I173 HydrophobicContact CD1-CG1 3.93Å; I162-I173 HydrophobicContact CD1-CG2 3.69Å; I162-I173 HydrophobicContact CG1-CD1 4.08Å; I162-I173 HydrophobicContact CG2-CD1 3.87Å; I162-I173 HydrophobicContact CG2-CG1 4.46Å; I162-I181 HydrophobicContact CB-CG2 4.41Å; I162-I181 HydrophobicContact CD1-CD1 4.25Å; I162-I181 HydrophobicContact CD1-CG1 3.81Å; I162-I181 HydrophobicContact CD1-CG2 4.21Å; I162-I181 HydrophobicContact CG1-CD1 4Å; I162-I181 HydrophobicContact CG1-CG1 4.04Å; I162-I181 HydrophobicContact CG1-CG2 4.04Å; I162-Y183 PolarHBondContact N-O 3.05Å; I162-T184 HydrophobicContact CB-CG2 4.37Å; I162-I185 PolarHBondContact O-N 3.18Å; I162-V397 HydrophobicContact CD1-CB 4.49Å; I162-V397 HydrophobicContact CD1-CG1 4.26Å; I162-V397 HydrophobicContact CD1-CG2 3.46Å; I162-V397 VanDerWaalsContact CD1-CG2 3.46Å
163F95.9Very high94.6Very high17 Ų1746.4 Ų46.48%0.07525%0.245CC..EExtended strand (participates in β ladder)trans-127.8106.3170.5-170.1-60.4000108.8I113 I115 I116 I143 L144 T145 I185 L195 P375I113-F163 HydrophobicContact CD1-CB 3.79Å; I113-F163 HydrophobicContact CD1-CD1 4.04Å; I113-F163 HydrophobicContact CD1-CD2 4.01Å; I113-F163 HydrophobicContact CD1-CG 3.67Å; I113-F163 HydrophobicContact CG1-CD1 3.99Å; I113-F163 HydrophobicContact CG1-CE1 4.43Å; I113-F163 HydrophobicContact CG1-CG 4.16Å; I113-F163 HydrophobicContact CG2-CD1 4.48Å; I113-F163 HydrophobicContact CG2-CD2 4.5Å; I113-F163 HydrophobicContact CG2-CE1 4.18Å; I113-F163 HydrophobicContact CG2-CE2 4.16Å; I113-F163 HydrophobicContact CG2-CZ 4.02Å; I115-F163 HydrophobicContact CD1-CE2 4.16Å; I115-F163 HydrophobicContact CD1-CZ 3.58Å; I115-F163 HydrophobicContact CG1-CZ 4.23Å; I116-F163 HydrophobicContact CD1-CD2 4.05Å; I116-F163 HydrophobicContact CD1-CE2 4.03Å; I143-F163 HydrophobicContact CG2-CB 3.35Å; I143-F163 HydrophobicContact CG2-CG 4.34Å; L144-F163 PolarHBondContact O-N 2.84Å; T145-F163 WeakPolarHBondContact CA-O 3.26Å; F163-I185 WeakPolarHBondContact CA-O 3.22Å; F163-I185 HydrophobicContact CB-CB 4.5Å; F163-I185 HydrophobicContact CD2-CB 3.89Å; F163-I185 HydrophobicContact CD2-CD1 4.06Å; F163-I185 HydrophobicContact CD2-CG1 4.46Å; F163-I185 HydrophobicContact CD2-CG2 3.84Å; F163-I185 HydrophobicContact CE2-CB 4.38Å; F163-I185 HydrophobicContact CE2-CG2 3.8Å; F163-I185 HydrophobicContact CG-CB 4.33Å; F163-I185 HydrophobicContact CZ-CG2 4.47Å; F163-L195 HydrophobicContact CE1-CD2 4.06Å; F163-L195 HydrophobicContact CE2-CD2 3.77Å; F163-L195 HydrophobicContact CZ-CD2 3.28Å; F163-P375 HydrophobicContact CE2-CB 3.94Å; F163-P375 HydrophobicContact CE2-CG 3.87Å; F163-P375 HydrophobicContact CZ-CG 4.37Å
164V94.7Very high94.7Very high2 Ų241.7 Ų41.71%0.01222%0.217CC..  trans-142.5124.3-178.1-70.80000110.6T145 I162 I171 I173 I185 T186 W401T145-V164 WeakPolarHBondContact O-CG1 3.48Å; I162-V164 HydrophobicContact CG2-CB 4.43Å; I162-V164 HydrophobicContact CG2-CG1 4.08Å; I162-V164 HydrophobicContact CG2-CG2 3.62Å; V164-I171 HydrophobicContact CG1-CG2 3.77Å; V164-I173 HydrophobicContact CG1-CD1 4.03Å; V164-I185 PolarHBondContact N-O 3.45Å; V164-I185 VanDerWaalsContact N-O 3.08Å; V164-T186 WeakPolarHBondContact O-CA 3.38Å; V164-T186 WeakPolarHBondContact O-CB 3.47Å; V164-T186 PolarHBondContact O-OG1 2.73Å; V164-W401 HydrophobicContact CB-CH2 4.06Å; V164-W401 HydrophobicContact CB-CZ2 3.77Å; V164-W401 HydrophobicContact CG2-CD2 3.9Å; V164-W401 HydrophobicContact CG2-CE3 3.92Å; V164-W401 HydrophobicContact CG2-CH2 3.38Å; V164-W401 HydrophobicContact CG2-CZ2 3.33Å; V164-W401 HydrophobicContact CG2-CZ3 3.7Å
165H91.8Very high94.6Very high46 Ų4642.9 Ų42.921%0.21323%0.229CC..  trans-110.7-22.3-177.3-151.3-135.1000113Y187 L195 Y197H165-Y187 VanDerWaalsContact O-CD1 3.23Å; H165-Y187 WeakPolarHBondContact O-CD1 3.46Å; H165-L195 PolarHBondContact CD2-O 3.46Å; H165-L195 PolarHBondContact NE2-O 2.99Å; H165-L195 VanDerWaalsContact NE2-O 3.11Å; H165-Y197 AromaticContact CD2-CE2 3.93Å; H165-Y197 AromaticContact CE1-CD1 3.49Å; H165-Y197 VanDerWaalsContact CE1-CD1 3.49Å; H165-Y197 WeakPolarHBondContact CE1-CD1 3.25Å; H165-Y197 AromaticContact CE1-CD2 3.21Å; H165-Y197 WeakPolarHBondContact CE1-CD2 3.29Å; H165-Y197 AromaticContact CE1-CE1 3.57Å; H165-Y197 AromaticContact CE1-CE2 3.27Å; H165-Y197 WeakPolarHBondContact CE1-CE2 3.21Å; H165-Y197 AromaticContact CE1-CG 3.31Å; H165-Y197 AromaticContact CE1-CZ 3.46Å; H165-Y197 VanDerWaalsContact CE1-CZ 3.46Å; H165-Y197 AromaticContact CG-CE2 3.76Å; H165-Y197 AromaticContact CG-CZ 3.86Å; H165-Y197 AromaticContact ND1-CD1 3.91Å; H165-Y197 AromaticContact ND1-CD2 3.81Å; H165-Y197 AromaticContact ND1-CE1 3.48Å; H165-Y197 WeakPolarHBondContact ND1-CE1 3.34Å; H165-Y197 AromaticContact ND1-CE2 3.34Å; H165-Y197 VanDerWaalsContact ND1-CE2 3.34Å; H165-Y197 WeakPolarHBondContact ND1-CE2 3.48Å; H165-Y197 AromaticContact ND1-CZ 3.17Å; H165-Y197 AromaticContact NE2-CD2 3.46Å; H165-Y197 WeakPolarHBondContact NE2-CD2 3.27Å; H165-Y197 AromaticContact NE2-CE2 3.64Å; H165-Y197 AromaticContact NE2-CG 3.9Å; H165-Y197 WeakPolarHBondContact O-CE2 3.27Å; H165-Y197 PolarHBondContact O-OH 2.91Å; H165-Y197 VanDerWaalsContact O-OH 3.12Å
166E94.7Very high94.1Very high73 Ų7343.3 Ų43.334%0.34124%0.239SC..SBendtrans-80.6162.4171.4-68.4-63.7155.400112.3I171 Y197 Y295 W401E166-I171 HydrophobicContact CB-CD1 3.62Å; E166-I171 HydrophobicContact CB-CG1 3.96Å; E166-I171 HydrophobicContact CG-CD1 4.14Å; E166-Y197 PolarHBondContact OE1-OH 3.11Å; E166-Y295 PolarHBondContact OE2-OH 2.73Å; E166-W401 VanDerWaalsContact O-CH2 3.3Å; E166-W401 WeakPolarHBondContact O-CH2 3.2Å; E166-W401 WeakPolarHBondContact O-CZ2 3.48Å
167A96.3Very high94Very high0 Ų037.8 Ų37.80%020%0.203CC..  trans-62.2153.318000000113.5L169 S170 I171 Y295A167-L169 PolarHBondContact O-N 2.96Å; A167-L169 VanDerWaalsContact O-N 3.08Å; A167-S170 WeakPolarHBondContact O-CA 3.32Å; A167-S170 WeakPolarHBondContact O-CB 3.39Å; A167-S170 PolarHBondContact O-N 3.31Å; A167-I171 PolarHBondContact O-N 3.37Å; A167-Y295 HydrophobicContact CB-CD1 4.07Å; A167-Y295 HydrophobicContact CB-CD2 4.26Å; A167-Y295 HydrophobicContact CB-CE1 3.93Å; A167-Y295 HydrophobicContact CB-CE2 4.1Å; A167-Y295 HydrophobicContact CB-CG 4.22Å
168P95.8Very high93.6Very high2 Ų236 Ų361%0.01319%0.19CC..THydrogen-bonded Turntrans-54.5-28.8177.8-29.129.9000115.8S170 I171 R172 Y187 W401P168-S170 VanDerWaalsContact C-N 3.25Å; P168-S170 PolarHBondContact O-N 3.03Å; P168-I171 CarbonylContact C-O 3.51Å; P168-I171 WeakPolarHBondContact CA-O 3.42Å; P168-I171 CarbonylContact O-C 3.47Å; P168-R172 WeakPolarHBondContact O-CG 3.3Å; P168-Y187 WeakPolarHBondContact CD-OH 3.31Å; P168-W401 VanDerWaalsContact CB-O 3.25Å; P168-W401 WeakPolarHBondContact CB-O 3.49Å; P168-W401 HydrophobicContact CG-CD2 4.07Å; P168-W401 HydrophobicContact CG-CE3 4.4Å; P168-W401 HydrophobicContact CG-CH2 4.31Å; P168-W401 HydrophobicContact CG-CZ2 3.98Å; P168-W401 HydrophobicContact CG-CZ3 4.49Å; P168-W401 WeakPolarHBondContact CG-O 3.42Å
169L94.6Very high92.9Very high85 Ų8540.1 Ų40.145%0.44521%0.212SC..THydrogen-bonded Turntrans-76.9-12.5176.5-59.4179000113.5A167 K238 C405A167-L169 PolarHBondContact O-N 2.96Å; A167-L169 VanDerWaalsContact O-N 3.08Å; L169-K238 HydrophobicContact CB-CB 4.3Å; L169-K238 HydrophobicContact CB-CG 3.98Å; L169-K238 HydrophobicContact CD1-CB 3.65Å; L169-K238 HydrophobicContact CD1-CG 4.19Å; L169-C405 HydrophobicContact CD1-CB 4.19Å; L169-C405 HydrophobicContact CG-CB 4.15Å
170S94.4Very high92.6Very high70 Ų7043.6 Ų43.649%0.4923%0.226SC..THydrogen-bonded Turntrans-98.3-45173.7-57.20000111A167 P168A167-S170 WeakPolarHBondContact O-CA 3.32Å; A167-S170 WeakPolarHBondContact O-CB 3.39Å; A167-S170 PolarHBondContact O-N 3.31Å; P168-S170 VanDerWaalsContact C-N 3.25Å; P168-S170 PolarHBondContact O-N 3.03Å
171I94.7Very high92.5Very high17 Ų1743.3 Ų43.39%0.08723%0.225CC..SBendtrans-122.1111.6178-56.9172.3000108.3L111 D146 V164 E166 A167 P168 W401L111-I171 HydrophobicContact CD1-CD1 3.2Å; L111-I171 HydrophobicContact CD1-CG1 3.76Å; D146-I171 HydrophobicContact CB-CG2 4.03Å; V164-I171 HydrophobicContact CG1-CG2 3.77Å; E166-I171 HydrophobicContact CB-CD1 3.62Å; E166-I171 HydrophobicContact CB-CG1 3.96Å; E166-I171 HydrophobicContact CG-CD1 4.14Å; A167-I171 PolarHBondContact O-N 3.37Å; P168-I171 CarbonylContact C-O 3.51Å; P168-I171 WeakPolarHBondContact CA-O 3.42Å; P168-I171 CarbonylContact O-C 3.47Å; I171-W401 PolarHBondContact O-NE1 2.84Å
172R94.4Very high92.4Very high142 Ų14244 Ų4454%0.53623%0.229SC..PPolyproline II helixtrans-92.6146.7172.1-68.5-169.666.5-151.4-7110.7D146 H147 P168 N402D146-R172 CarbonylContact C-O 3.6Å; H147-R172 WeakPolarHBondContact CA-O 3.25Å; H147-R172 WeakPolarHBondContact CB-O 3.47Å; H147-R172 PolarHBondContact N-O 2.77Å; H147-R172 VanDerWaalsContact N-O 3.14Å; P168-R172 WeakPolarHBondContact O-CG 3.3Å; R172-N402 WeakPolarHBondContact CA-OD1 3.41Å; R172-N402 PolarHBondContact NH2-ND2 2.96Å
173I94.6Very high92.3Very high1 Ų144.3 Ų44.31%0.00523%0.231CC..PPolyproline II helixtrans-94.1135170.1-65.7-61.8000107.8I162 V164 L177 W401 N402I162-I173 HydrophobicContact CD1-CB 4.45Å; I162-I173 HydrophobicContact CD1-CD1 3.79Å; I162-I173 HydrophobicContact CD1-CG1 3.93Å; I162-I173 HydrophobicContact CD1-CG2 3.69Å; I162-I173 HydrophobicContact CG1-CD1 4.08Å; I162-I173 HydrophobicContact CG2-CD1 3.87Å; I162-I173 HydrophobicContact CG2-CG1 4.46Å; V164-I173 HydrophobicContact CG1-CD1 4.03Å; I173-L177 HydrophobicContact CG2-CD1 3.59Å; I173-W401 HydrophobicContact CB-CB 4.5Å; I173-W401 HydrophobicContact CB-CG 4.43Å; I173-W401 HydrophobicContact CG1-CB 4.14Å; I173-W401 HydrophobicContact CG1-CG 3.73Å; I173-N402 PolarHBondContact N-OD1 2.81Å; I173-N402 PolarHBondContact O-ND2 3.32Å; I173-N402 PolarHBondContact O-OD1 3.41Å
174A94.1Very high92.3Very high19 Ų1943.5 Ų43.516%0.15723%0.227CC..PPolyproline II helixtrans-63.2144.2-176.900000112.5H147 Y149 L177 S398H147-A174 HydrophobicContact CB-CB 4.35Å; H147-A174 WeakPolarHBondContact O-CB 3.36Å; Y149-A174 HydrophobicContact CD1-CB 3.73Å; Y149-A174 HydrophobicContact CE1-CB 3.52Å; A174-L177 HydrophobicContact CB-CD1 4.4Å; A174-S398 WeakPolarHBondContact O-CB 3.42Å; A174-S398 PolarHBondContact O-OG 3.23Å
175D90.9Very high92.3Very high106 Ų10643.4 Ų43.457%0.56723%0.226SC*.THydrogen-bonded Turntrans-65.8152.3170.5-55.7-41.4000109.9L177D175-L177 VanDerWaalsContact C-N 3.35Å
176G84.3Confident92.4Very high39 Ų3941.2 Ų41.240%0.40222%0.216SC..THydrogen-bonded Turntrans80.69.9-17800000115.7K180G176-K180 PolarHBondContact O-NZ 3.42Å
177L90.5Very high92.3Very high0 Ų037.9 Ų37.90%020%0.2CC..  trans-84.45.8162.6-70.2174.5000112.8L144 Y149 W160 I173 A174 D175 N179 K180 I181 V397L144-L177 HydrophobicContact CD1-CD1 3.77Å; L144-L177 HydrophobicContact CD1-CD2 4.07Å; Y149-L177 HydrophobicContact CD1-CD1 4.44Å; Y149-L177 HydrophobicContact CD1-CD2 4.15Å; Y149-L177 HydrophobicContact CD1-CG 4.32Å; Y149-L177 HydrophobicContact CD2-CD2 3.82Å; Y149-L177 HydrophobicContact CE2-CD2 4.33Å; Y149-L177 HydrophobicContact CG-CD2 3.71Å; Y149-L177 HydrophobicContact CG-CG 4.37Å; W160-L177 HydrophobicContact CE3-CD2 4.14Å; W160-L177 HydrophobicContact CZ3-CD2 3.66Å; I173-L177 HydrophobicContact CG2-CD1 3.59Å; A174-L177 HydrophobicContact CB-CD1 4.4Å; D175-L177 VanDerWaalsContact C-N 3.35Å; L177-N179 PolarHBondContact O-N 3.28Å; L177-N179 VanDerWaalsContact O-N 3.17Å; L177-K180 HydrophobicContact CD2-CD 4.41Å; L177-K180 WeakPolarHBondContact O-CB 3.34Å; L177-K180 PolarHBondContact O-N 3.48Å; L177-I181 HydrophobicContact CB-CG1 4.47Å; L177-I181 HydrophobicContact CD2-CD1 4.46Å; L177-V397 HydrophobicContact CB-CG1 4.02Å
178E80.8Confident92.1Very high107 Ų10739 Ų3950%0.521%0.205SC..THydrogen-bonded Turntrans-52.9122.7179.2-63.1-168.3179.100110.9K180E178-K180 PolarHBondContact O-N 3.28Å
179N80.7Confident91.8Very high94 Ų9440 Ų4050%0.50321%0.209SC..THydrogen-bonded Turntrans60.121.5-178.3-51.2-42.9000115.7L177 T393L177-N179 PolarHBondContact O-N 3.28Å; L177-N179 VanDerWaalsContact O-N 3.17Å; N179-T393 HydrophobicContact CB-CG2 3.76Å; N179-T393 WeakPolarHBondContact O-CG2 3.39Å
180K91Very high91.6Very high89 Ų8939.3 Ų39.339%0.38721%0.206SC..THydrogen-bonded Turntrans-102.8-19173.4-64.4-178.8-175.4158.90113.3R154 W160 G176 L177 E178R154-K180 PolarHBondContact NH1-O 3.13Å; W160-K180 HydrophobicContact CE3-CB 4.36Å; G176-K180 PolarHBondContact O-NZ 3.42Å; L177-K180 HydrophobicContact CD2-CD 4.41Å; L177-K180 WeakPolarHBondContact O-CB 3.34Å; L177-K180 PolarHBondContact O-N 3.48Å; E178-K180 PolarHBondContact O-N 3.28Å
181I95.4Very high91.5Very high0 Ų036 Ų360%018%0.183CC..  trans-90.1131.6-177.1-57.7-56.6000109.2L144 W160 I162 L177 Y183 T184 T393 F394 V397L144-I181 HydrophobicContact CD1-CD1 3.54Å; L144-I181 HydrophobicContact CG-CD1 4.45Å; W160-I181 HydrophobicContact CB-CD1 3.97Å; W160-I181 HydrophobicContact CE3-CD1 4.03Å; I162-I181 HydrophobicContact CB-CG2 4.41Å; I162-I181 HydrophobicContact CD1-CD1 4.25Å; I162-I181 HydrophobicContact CD1-CG1 3.81Å; I162-I181 HydrophobicContact CD1-CG2 4.21Å; I162-I181 HydrophobicContact CG1-CD1 4Å; I162-I181 HydrophobicContact CG1-CG1 4.04Å; I162-I181 HydrophobicContact CG1-CG2 4.04Å; L177-I181 HydrophobicContact CB-CG1 4.47Å; L177-I181 HydrophobicContact CD2-CD1 4.46Å; I181-Y183 WeakPolarHBondContact CG2-O 3.28Å; I181-T184 HydrophobicContact CG2-CG2 4.09Å; I181-T393 CarbonylContact O-C 3.44Å; I181-T393 WeakPolarHBondContact O-CA 3.32Å; I181-T393 WeakPolarHBondContact O-CG2 3.05Å; I181-F394 PolarHBondContact O-N 3.34Å; I181-V397 HydrophobicContact CB-CB 4.36Å; I181-V397 HydrophobicContact CB-CG1 4.1Å; I181-V397 HydrophobicContact CB-CG2 4.22Å; I181-V397 HydrophobicContact CG1-CB 4.33Å; I181-V397 HydrophobicContact CG1-CG1 3.59Å; I181-V397 HydrophobicContact CG1-CG2 4.26Å; I181-V397 HydrophobicContact CG2-CG2 4.34Å
182N94.7Very high91.3Very high16 Ų1635.2 Ų35.29%0.08618%0.179CC..SBendtrans-83.5-47.9173-55.197.4000110.4R154 L159 W160 Y392R154-N182 PolarHBondContact NH2-OD1 3.28Å; L159-N182 WeakPolarHBondContact CA-OD1 3.3Å; W160-N182 PolarHBondContact N-OD1 3.38Å; W160-N182 PolarHBondContact O-N 3.02Å; N182-Y392 PolarHBondContact ND2-O 3.35Å; N182-Y392 WeakPolarHBondContact O-CD1 3.32Å; N182-Y392 WeakPolarHBondContact O-CE1 3.16Å
183Y94.6Very high91Very high6 Ų628.5 Ų28.52%0.02415%0.154CC..EExtended strand (participates in β ladder)trans-136.5140.4-166.9-54.7-55.6000111.1L82 L159 W160 F161 I162 I181 T192 L382 Y392L82-Y183 HydrophobicContact CD1-CD1 3.8Å; L82-Y183 HydrophobicContact CD1-CE1 3.46Å; L82-Y183 VanDerWaalsContact CD1-CE1 3.46Å; L82-Y183 HydrophobicContact CD2-CD1 4.17Å; L82-Y183 HydrophobicContact CD2-CE1 4.05Å; L82-Y183 HydrophobicContact CG-CE1 4.4Å; L159-Y183 HydrophobicContact CD1-CE2 4.26Å; L159-Y183 HydrophobicContact CD2-CE2 4.28Å; W160-Y183 PolarHBondContact O-N 3.19Å; F161-Y183 CarbonylContact C-O 3.54Å; F161-Y183 WeakPolarHBondContact CA-O 3.48Å; F161-Y183 HydrophobicContact CD1-CD2 4.3Å; F161-Y183 HydrophobicContact CD1-CG 4.41Å; F161-Y183 HydrophobicContact CD2-CD2 4.21Å; F161-Y183 AromaticContact CE1-CD2 3.67Å; F161-Y183 HydrophobicContact CE1-CD2 3.67Å; F161-Y183 AromaticContact CE1-CG 3.97Å; F161-Y183 HydrophobicContact CE1-CG 3.97Å; F161-Y183 AromaticContact CE2-CD2 3.58Å; F161-Y183 HydrophobicContact CE2-CD2 3.58Å; F161-Y183 HydrophobicContact CE2-CE2 4.3Å; F161-Y183 AromaticContact CZ-CD2 3.28Å; F161-Y183 HydrophobicContact CZ-CD2 3.28Å; F161-Y183 HydrophobicContact CZ-CE2 4.04Å; F161-Y183 HydrophobicContact CZ-CG 4.06Å; I162-Y183 PolarHBondContact N-O 3.05Å; I181-Y183 WeakPolarHBondContact CG2-O 3.28Å; Y183-T192 HydrophobicContact CD1-CG2 3.49Å; Y183-T192 VanDerWaalsContact CD1-CG2 3.49Å; Y183-T192 HydrophobicContact CE1-CG2 4.43Å; Y183-T192 HydrophobicContact CG-CG2 4.1Å; Y183-L382 HydrophobicContact CD1-CD1 4.45Å; Y183-L382 HydrophobicContact CD2-CD1 3.93Å; Y183-L382 HydrophobicContact CE1-CD1 4.47Å; Y183-L382 HydrophobicContact CE2-CB 4.21Å; Y183-L382 HydrophobicContact CE2-CD1 3.94Å; Y183-L382 HydrophobicContact CE2-CD2 4.34Å; Y183-L382 HydrophobicContact CE2-CG 4.4Å; Y183-L382 HydrophobicContact CG-CD1 4.16Å; Y183-Y392 HydrophobicContact CD1-CD1 4.26Å; Y183-Y392 HydrophobicContact CE1-CD1 4.11Å
184T94.8Very high90.7Very high0 Ų030 Ų300%016%0.159CC..EExtended strand (participates in β ladder)trans-115.7132.6178.155.10000110.4I162 I181 S191 T192 I193 F394 V397 W400I162-T184 HydrophobicContact CB-CG2 4.37Å; I181-T184 HydrophobicContact CG2-CG2 4.09Å; T184-S191 WeakPolarHBondContact OG1-CA 3.28Å; T184-S191 WeakPolarHBondContact OG1-CB 3.43Å; T184-T192 PolarHBondContact N-OG1 2.94Å; T184-T192 WeakPolarHBondContact O-CB 3.39Å; T184-T192 PolarHBondContact O-N 3.33Å; T184-T192 VanDerWaalsContact O-N 3.17Å; T184-T192 PolarHBondContact OG1-N 3.42Å; T184-T192 PolarHBondContact OG1-OG1 2.98Å; T184-I193 PolarHBondContact O-N 2.98Å; T184-F394 HydrophobicContact CG2-CB 4.32Å; T184-F394 HydrophobicContact CG2-CD1 4.22Å; T184-F394 HydrophobicContact CG2-CD2 3.84Å; T184-F394 HydrophobicContact CG2-CE2 4.2Å; T184-F394 HydrophobicContact CG2-CG 3.85Å; T184-F394 WeakPolarHBondContact OG1-CE2 3.39Å; T184-V397 HydrophobicContact CG2-CG2 3.79Å; T184-W400 HydrophobicContact CG2-CH2 4.19Å; T184-W400 HydrophobicContact CG2-CZ3 3.78Å
185I94.6Very high90.5Very high0 Ų029.4 Ų29.40%015%0.154CC..EExtended strand (participates in β ladder)trans-122.6110.3178.7-45.7-168.1000108.3F161 I162 F163 V164 I193 L195 P375 I379F161-I185 HydrophobicContact CD1-CD1 3.77Å; F161-I185 HydrophobicContact CD1-CG1 4.05Å; F161-I185 HydrophobicContact CE1-CD1 4.22Å; I162-I185 PolarHBondContact O-N 3.18Å; F163-I185 WeakPolarHBondContact CA-O 3.22Å; F163-I185 HydrophobicContact CB-CB 4.5Å; F163-I185 HydrophobicContact CD2-CB 3.89Å; F163-I185 HydrophobicContact CD2-CD1 4.06Å; F163-I185 HydrophobicContact CD2-CG1 4.46Å; F163-I185 HydrophobicContact CD2-CG2 3.84Å; F163-I185 HydrophobicContact CE2-CB 4.38Å; F163-I185 HydrophobicContact CE2-CG2 3.8Å; F163-I185 HydrophobicContact CG-CB 4.33Å; F163-I185 HydrophobicContact CZ-CG2 4.47Å; V164-I185 PolarHBondContact N-O 3.45Å; V164-I185 VanDerWaalsContact N-O 3.08Å; I185-I193 WeakPolarHBondContact CA-O 3.11Å; I185-I193 HydrophobicContact CB-CB 4.47Å; I185-I193 HydrophobicContact CD1-CD1 3.73Å; I185-I193 HydrophobicContact CG1-CB 4.04Å; I185-I193 HydrophobicContact CG1-CD1 3.85Å; I185-I193 HydrophobicContact CG1-CG1 4.44Å; I185-I193 HydrophobicContact CG2-CB 4.3Å; I185-I193 HydrophobicContact CG2-CG2 4.22Å; I185-L195 HydrophobicContact CG2-CB 3.89Å; I185-L195 HydrophobicContact CG2-CD2 3.78Å; I185-L195 HydrophobicContact CG2-CG 4.44Å; I185-P375 HydrophobicContact CD1-CB 4.32Å; I185-P375 HydrophobicContact CG2-CB 4.15Å; I185-I379 HydrophobicContact CD1-CD1 3.64Å; I185-I379 HydrophobicContact CD1-CG1 3.59Å
186T94.3Very high90.4Very high0 Ų025 Ų250%013%0.131CC..EExtended strand (participates in β ladder)trans-168169.4-174.9171.90000111.1V164 R188 S191 I193 L195 W400 W401V164-T186 WeakPolarHBondContact O-CA 3.38Å; V164-T186 WeakPolarHBondContact O-CB 3.47Å; V164-T186 PolarHBondContact O-OG1 2.73Å; T186-R188 HydrophobicContact CG2-CB 4.1Å; T186-R188 PolarHBondContact O-N 3.08Å; T186-S191 PolarHBondContact O-OG 2.96Å; T186-I193 PolarHBondContact N-O 2.84Å; T186-L195 CarbonylContact C-O 3.53Å; T186-L195 PolarHBondContact O-N 2.9Å; T186-W400 HydrophobicContact CG2-CH2 3.65Å; T186-W400 HydrophobicContact CG2-CZ3 4.43Å; T186-W401 HydrophobicContact CG2-CE3 4.46Å; T186-W401 HydrophobicContact CG2-CZ3 4.01Å; T186-W401 WeakPolarHBondContact OG1-CH2 3.24Å; T186-W401 WeakPolarHBondContact OG1-CZ3 3.39Å
187Y92.1Very high90.7Very high2 Ų225.4 Ų25.41%0.00812%0.121CC..SBendtrans-65.4-12.7174.767.9-101.4000113.6H165 P168 M189 Y194 L195 A293 D294 Y295 W401H165-Y187 VanDerWaalsContact O-CD1 3.23Å; H165-Y187 WeakPolarHBondContact O-CD1 3.46Å; P168-Y187 WeakPolarHBondContact CD-OH 3.31Å; Y187-M189 PolarHBondContact O-N 3.34Å; Y187-Y194 WeakPolarHBondContact O-CE2 3.39Å; Y187-L195 WeakPolarHBondContact CA-O 3.46Å; Y187-L195 PolarHBondContact N-O 2.76Å; Y187-L195 VanDerWaalsContact N-O 3.14Å; Y187-A293 WeakPolarHBondContact CE2-O 3.33Å; Y187-D294 HydrophobicContact CD2-CB 4.29Å; Y187-D294 WeakPolarHBondContact CD2-O 3.35Å; Y187-Y295 AromaticContact CD1-CD2 3.78Å; Y187-Y295 HydrophobicContact CD1-CD2 3.78Å; Y187-Y295 HydrophobicContact CD1-CE2 4.34Å; Y187-Y295 HydrophobicContact CD2-CD2 4.27Å; Y187-Y295 AromaticContact CE1-CD2 3.37Å; Y187-Y295 HydrophobicContact CE1-CD2 3.37Å; Y187-Y295 AromaticContact CE1-CE2 3.99Å; Y187-Y295 HydrophobicContact CE1-CE2 3.99Å; Y187-Y295 HydrophobicContact CE1-CG 4.31Å; Y187-Y295 VanDerWaalsContact CE2-CA 3.49Å; Y187-Y295 AromaticContact CE2-CD2 3.97Å; Y187-Y295 HydrophobicContact CE2-CD2 3.97Å; Y187-Y295 HydrophobicContact CE2-CG 4.25Å; Y187-Y295 HydrophobicContact CG-CD2 4.21Å; Y187-Y295 AromaticContact CZ-CD2 3.48Å; Y187-Y295 VanDerWaalsContact CZ-CD2 3.48Å; Y187-Y295 AromaticContact CZ-CG 3.98Å; Y187-W401 HydrophobicContact CD1-CH2 4.46Å; Y187-W401 AromaticContact CE1-CH2 3.62Å; Y187-W401 HydrophobicContact CE1-CH2 3.62Å; Y187-W401 HydrophobicContact CE1-CZ3 4.18Å; Y187-W401 AromaticContact CZ-CH2 3.97Å
188R92.7Very high90.6Very high23 Ų2326.8 Ų26.89%0.08713%0.127CC..  trans-68133178-73.7-174.162.1138.9-0.5110.7T186 D190 S191 W400 W401 G404T186-R188 HydrophobicContact CG2-CB 4.1Å; T186-R188 PolarHBondContact O-N 3.08Å; R188-D190 WeakPolarHBondContact CB-OD1 3.32Å; R188-D190 IonicContact CZ-OD1 2.66Å; R188-D190 IonicContact CZ-OD2 2.77Å; R188-D190 IonicContact NE-OD1 3.47Å; R188-D190 PolarHBondContact NE-OD1 2.66Å; R188-D190 IonicContact NE-OD2 2.84Å; R188-D190 IonicContact NH2-OD1 2.68Å; R188-D190 PolarHBondContact NH2-OD1 3.39Å; R188-D190 IonicContact NH2-OD2 3.35Å; R188-D190 PolarHBondContact NH2-OD2 3Å; R188-D190 PolarHBondContact O-N 3Å; R188-S191 VanDerWaalsContact O-CB 3.3Å; R188-S191 WeakPolarHBondContact O-CB 3.43Å; R188-S191 PolarHBondContact O-N 3.46Å; R188-S191 VanDerWaalsContact O-N 3.12Å; R188-S191 PolarHBondContact O-OG 3.13Å; R188-W400 HydrophobicContact CB-CH2 4.43Å; R188-W400 HydrophobicContact CB-CZ2 3.97Å; R188-W400 HydrophobicContact CG-CZ2 4.42Å; R188-W400 VanDerWaalsContact CZ-NE1 3.28Å; R188-W400 PolarHBondContact NH1-O 2.75Å; R188-W401 HydrophobicContact CG-CZ3 4.13Å; R188-G404 VanDerWaalsContact NH1-CA 3.35Å
189M88.9Confident90.9Very high23 Ų2322.6 Ų22.611%0.11311%0.108CC..THydrogen-bonded Turntrans-68.8-21.4-177.4-66.3-174.3-71.900113.7Y67 Y187 S191 Y194 D294 R323Y67-M189 HydrophobicContact CE2-SD 4.29Å; Y187-M189 PolarHBondContact O-N 3.34Å; M189-S191 VanDerWaalsContact C-N 3.35Å; M189-Y194 HydrophobicContact CB-CE2 4.46Å; M189-Y194 HydrophobicContact CG-CD2 4.32Å; M189-Y194 HydrophobicContact CG-CE2 3.75Å; M189-D294 WeakPolarHBondContact CE-OD1 3.36Å; M189-D294 WeakPolarHBondContact CE-OD2 3.5Å; M189-D294 PolarHBondContact N-OD2 3.37Å; M189-R323 VanDerWaalsContact CE-CZ 3.48Å; M189-R323 VanDerWaalsContact CE-NH2 3.29Å
190D90.7Very high91.3Very high72 Ų7219.7 Ų19.739%0.3859%0.09SC..THydrogen-bonded Turntrans-93.511.4176.966.1-14.8000113.2R188 W400R188-D190 WeakPolarHBondContact CB-OD1 3.32Å; R188-D190 IonicContact CZ-OD1 2.66Å; R188-D190 IonicContact CZ-OD2 2.77Å; R188-D190 IonicContact NE-OD1 3.47Å; R188-D190 PolarHBondContact NE-OD1 2.66Å; R188-D190 IonicContact NE-OD2 2.84Å; R188-D190 IonicContact NH2-OD1 2.68Å; R188-D190 PolarHBondContact NH2-OD1 3.39Å; R188-D190 IonicContact NH2-OD2 3.35Å; R188-D190 PolarHBondContact NH2-OD2 3Å; R188-D190 PolarHBondContact O-N 3Å; D190-W400 WeakPolarHBondContact OD1-CZ2 3.5Å; D190-W400 PolarHBondContact OD1-NE1 3.24Å; D190-W400 PolarHBondContact OD2-NE1 3.04Å
191S92.4Very high91.2Very high0 Ų018.1 Ų18.10%09%0.088CC..SBendtrans-77.2154.7169.366.30000111.8T81 T184 T186 R188 M189 I193T81-S191 WeakPolarHBondContact CB-O 3.39Å; T81-S191 VanDerWaalsContact CG2-O 3.29Å; T81-S191 WeakPolarHBondContact CG2-O 3.46Å; T81-S191 VanDerWaalsContact OG1-C 3.3Å; T81-S191 PolarHBondContact OG1-O 3.1Å; T184-S191 WeakPolarHBondContact OG1-CA 3.28Å; T184-S191 WeakPolarHBondContact OG1-CB 3.43Å; T186-S191 PolarHBondContact O-OG 2.96Å; R188-S191 VanDerWaalsContact O-CB 3.3Å; R188-S191 WeakPolarHBondContact O-CB 3.43Å; R188-S191 PolarHBondContact O-N 3.46Å; R188-S191 VanDerWaalsContact O-N 3.12Å; R188-S191 PolarHBondContact O-OG 3.13Å; M189-S191 VanDerWaalsContact C-N 3.35Å; S191-I193 VanDerWaalsContact C-N 3.27Å; S191-I193 PolarHBondContact O-N 3.19Å; S191-I193 PolarHBondContact OG-O 3.03Å
192T90.3Very high91Very high1 Ų119.8 Ų19.81%0.00610%0.099CC..SBendtrans-54.3-44.5178.2-54.30000111.9I80 T81 L82 Y183 T184I80-T192 CarbonylContact C-O 3.51Å; I80-T192 VanDerWaalsContact CA-O 3.31Å; I80-T192 WeakPolarHBondContact CA-O 3.23Å; T81-T192 PolarHBondContact N-O 3.38Å; T81-T192 VanDerWaalsContact OG1-CA 3.23Å; T81-T192 WeakPolarHBondContact OG1-CA 3.37Å; T81-T192 PolarHBondContact OG1-O 3.36Å; L82-T192 HydrophobicContact CD1-CG2 3.58Å; L82-T192 HydrophobicContact CD2-CG2 3.71Å; L82-T192 HydrophobicContact CG-CG2 3.46Å; L82-T192 VanDerWaalsContact CG-CG2 3.46Å; Y183-T192 HydrophobicContact CD1-CG2 3.49Å; Y183-T192 VanDerWaalsContact CD1-CG2 3.49Å; Y183-T192 HydrophobicContact CE1-CG2 4.43Å; Y183-T192 HydrophobicContact CG-CG2 4.1Å; T184-T192 PolarHBondContact N-OG1 2.94Å; T184-T192 WeakPolarHBondContact O-CB 3.39Å; T184-T192 PolarHBondContact O-N 3.33Å; T184-T192 VanDerWaalsContact O-N 3.17Å; T184-T192 PolarHBondContact OG1-N 3.42Å; T184-T192 PolarHBondContact OG1-OG1 2.98Å
193I89.1Confident90.9Very high0 Ų023 Ų230%012%0.123CC..EExtended strand (participates in β ladder)trans-126.1105.3179.3-59.2163.1000106N78 F161 T184 I185 T186 S191 L195 V378 L382N78-I193 HydrophobicContact CB-CG2 3.84Å; F161-I193 HydrophobicContact CE1-CD1 4.14Å; T184-I193 PolarHBondContact O-N 2.98Å; I185-I193 WeakPolarHBondContact CA-O 3.11Å; I185-I193 HydrophobicContact CB-CB 4.47Å; I185-I193 HydrophobicContact CD1-CD1 3.73Å; I185-I193 HydrophobicContact CG1-CB 4.04Å; I185-I193 HydrophobicContact CG1-CD1 3.85Å; I185-I193 HydrophobicContact CG1-CG1 4.44Å; I185-I193 HydrophobicContact CG2-CB 4.3Å; I185-I193 HydrophobicContact CG2-CG2 4.22Å; T186-I193 PolarHBondContact N-O 2.84Å; S191-I193 VanDerWaalsContact C-N 3.27Å; S191-I193 PolarHBondContact O-N 3.19Å; S191-I193 PolarHBondContact OG-O 3.03Å; I193-L195 PolarHBondContact O-N 2.94Å; I193-V378 HydrophobicContact CD1-CB 4.25Å; I193-V378 HydrophobicContact CD1-CG1 3.44Å; I193-V378 VanDerWaalsContact CD1-CG1 3.44Å; I193-V378 HydrophobicContact CG1-CG1 3.98Å; I193-L382 HydrophobicContact CD1-CD1 4.15Å
194Y88Confident90.6Very high32 Ų3225.9 Ų25.913%0.12514%0.141CC..EExtended strand (participates in β ladder)trans-70.4122.7179175.5-123000109.3K79 Y187 M189 P196 W371K79-Y194 HydrophobicContact CD-CD1 4.15Å; K79-Y194 PolarHBondContact O-N 2.75Å; K79-Y194 VanDerWaalsContact O-N 3.1Å; Y187-Y194 WeakPolarHBondContact O-CE2 3.39Å; M189-Y194 HydrophobicContact CB-CE2 4.46Å; M189-Y194 HydrophobicContact CG-CD2 4.32Å; M189-Y194 HydrophobicContact CG-CE2 3.75Å; Y194-P196 HydrophobicContact CD1-CG 4.18Å; Y194-P196 HydrophobicContact CE1-CB 4.1Å; Y194-P196 HydrophobicContact CE1-CG 3.55Å; Y194-P196 HydrophobicContact CE2-CB 4.01Å; Y194-P196 HydrophobicContact CE2-CG 4.26Å; Y194-P196 WeakPolarHBondContact OH-CB 3.23Å; Y194-W371 HydrophobicContact CD1-CH2 4.28Å; Y194-W371 HydrophobicContact CD1-CZ3 4.14Å; Y194-W371 HydrophobicContact CE1-CZ3 4.31Å; Y194-W371 WeakPolarHBondContact O-CH2 3.36Å
195L89.7Confident90.2Very high8 Ų828.9 Ų28.94%0.04217%0.166CC..  trans-132.981.3-179.6-177.669.1000108.8I115 F163 H165 I185 T186 Y187 I193 P373 P375I115-L195 HydrophobicContact CD1-CD2 4.26Å; F163-L195 HydrophobicContact CE1-CD2 4.06Å; F163-L195 HydrophobicContact CE2-CD2 3.77Å; F163-L195 HydrophobicContact CZ-CD2 3.28Å; H165-L195 PolarHBondContact CD2-O 3.46Å; H165-L195 PolarHBondContact NE2-O 2.99Å; H165-L195 VanDerWaalsContact NE2-O 3.11Å; I185-L195 HydrophobicContact CG2-CB 3.89Å; I185-L195 HydrophobicContact CG2-CD2 3.78Å; I185-L195 HydrophobicContact CG2-CG 4.44Å; T186-L195 CarbonylContact C-O 3.53Å; T186-L195 PolarHBondContact O-N 2.9Å; Y187-L195 WeakPolarHBondContact CA-O 3.46Å; Y187-L195 PolarHBondContact N-O 2.76Å; Y187-L195 VanDerWaalsContact N-O 3.14Å; I193-L195 PolarHBondContact O-N 2.94Å; L195-P373 HydrophobicContact CD1-CB 3.28Å; L195-P373 HydrophobicContact CD1-CG 3.34Å; L195-P375 HydrophobicContact CD1-CG 4.21Å; L195-P375 HydrophobicContact CD2-CG 4.13Å
196P89.8Confident89.9Confident12 Ų1233.2 Ų33.28%0.07820%0.196CC..  trans-75.9164.2174.534.3-35.5000111Y194 H198 W371Y194-P196 HydrophobicContact CD1-CG 4.18Å; Y194-P196 HydrophobicContact CE1-CB 4.1Å; Y194-P196 HydrophobicContact CE1-CG 3.55Å; Y194-P196 HydrophobicContact CE2-CB 4.01Å; Y194-P196 HydrophobicContact CE2-CG 4.26Å; Y194-P196 WeakPolarHBondContact OH-CB 3.23Å; P196-H198 VanDerWaalsContact C-N 3.28Å; P196-H198 WeakPolarHBondContact CB-O 3.49Å; P196-H198 PolarHBondContact O-N 3.45Å; P196-W371 HydrophobicContact CG-CZ3 3.89Å
197Y89.1Confident89.7Confident48 Ų4835.7 Ų35.719%0.18821%0.208CC..SBendtrans-64-36.7171.7-79.1-103.3000112.3H165 E166 Y295 T297H165-Y197 AromaticContact CD2-CE2 3.93Å; H165-Y197 AromaticContact CE1-CD1 3.49Å; H165-Y197 VanDerWaalsContact CE1-CD1 3.49Å; H165-Y197 WeakPolarHBondContact CE1-CD1 3.25Å; H165-Y197 AromaticContact CE1-CD2 3.21Å; H165-Y197 WeakPolarHBondContact CE1-CD2 3.29Å; H165-Y197 AromaticContact CE1-CE1 3.57Å; H165-Y197 AromaticContact CE1-CE2 3.27Å; H165-Y197 WeakPolarHBondContact CE1-CE2 3.21Å; H165-Y197 AromaticContact CE1-CG 3.31Å; H165-Y197 AromaticContact CE1-CZ 3.46Å; H165-Y197 VanDerWaalsContact CE1-CZ 3.46Å; H165-Y197 AromaticContact CG-CE2 3.76Å; H165-Y197 AromaticContact CG-CZ 3.86Å; H165-Y197 AromaticContact ND1-CD1 3.91Å; H165-Y197 AromaticContact ND1-CD2 3.81Å; H165-Y197 AromaticContact ND1-CE1 3.48Å; H165-Y197 WeakPolarHBondContact ND1-CE1 3.34Å; H165-Y197 AromaticContact ND1-CE2 3.34Å; H165-Y197 VanDerWaalsContact ND1-CE2 3.34Å; H165-Y197 WeakPolarHBondContact ND1-CE2 3.48Å; H165-Y197 AromaticContact ND1-CZ 3.17Å; H165-Y197 AromaticContact NE2-CD2 3.46Å; H165-Y197 WeakPolarHBondContact NE2-CD2 3.27Å; H165-Y197 AromaticContact NE2-CE2 3.64Å; H165-Y197 AromaticContact NE2-CG 3.9Å; H165-Y197 WeakPolarHBondContact O-CE2 3.27Å; H165-Y197 PolarHBondContact O-OH 2.91Å; H165-Y197 VanDerWaalsContact O-OH 3.12Å; E166-Y197 PolarHBondContact OE1-OH 3.11Å; Y197-Y295 HydrophobicContact CE2-CE2 4.19Å; Y197-T297 HydrophobicContact CD2-CG2 4.09Å; Y197-T297 HydrophobicContact CE1-CG2 4.41Å; Y197-T297 HydrophobicContact CE2-CG2 3.82Å
198H89.8Confident89.6Confident30 Ų3036.7 Ų36.714%0.13922%0.218CC..  trans-155.9164.6-174.5-69.3-80.5000109.8P196 F301 D369P196-H198 VanDerWaalsContact C-N 3.28Å; P196-H198 WeakPolarHBondContact CB-O 3.49Å; P196-H198 PolarHBondContact O-N 3.45Å; H198-F301 HydrophobicContact CB-CB 3.42Å; H198-F301 VanDerWaalsContact CB-CB 3.42Å; H198-F301 HydrophobicContact CB-CD1 3.74Å; H198-F301 HydrophobicContact CB-CD2 3.48Å; H198-F301 VanDerWaalsContact CB-CD2 3.48Å; H198-F301 HydrophobicContact CB-CE1 4.33Å; H198-F301 HydrophobicContact CB-CE2 4.07Å; H198-F301 HydrophobicContact CB-CG 3.28Å; H198-F301 HydrophobicContact CB-CZ 4.46Å; H198-F301 AromaticContact CG-CG 3.84Å; H198-D369 VanDerWaalsContact CA-OD1 3.31Å; H198-D369 WeakPolarHBondContact CA-OD1 3.37Å; H198-D369 VanDerWaalsContact CB-OD1 3.22Å; H198-D369 WeakPolarHBondContact CB-OD1 3.46Å; H198-D369 IonicContact CE1-OD1 3.46Å; H198-D369 IonicContact CE1-OD2 3.84Å; H198-D369 PolarHBondContact CE1-OD2 2.61Å; H198-D369 IonicContact CG-OD1 3.81Å; H198-D369 IonicContact CG-OD2 3.34Å; H198-D369 IonicContact ND1-OD1 2.68Å; H198-D369 PolarHBondContact ND1-OD1 2.77Å; H198-D369 IonicContact ND1-OD2 3.06Å; H198-D369 PolarHBondContact ND1-OD2 3.37Å
199N85.8Confident89.5Confident18 Ų1838.4 Ų38.410%0.09623%0.233CC..  trans-142.4151.9176.469.4-68.2000112.2V201 I368 D369 W371N199-V201 WeakPolarHBondContact ND2-CG2 3.22Å; N199-I368 CarbonylContact O-C 3.5Å; N199-I368 VanDerWaalsContact O-CA 3.29Å; N199-I368 WeakPolarHBondContact O-CA 3.38Å; N199-D369 PolarHBondContact N-OD1 2.8Å; N199-D369 PolarHBondContact O-N 3.05Å; N199-W371 HydrophobicContact CB-CE3 4.3Å; N199-W371 PolarHBondContact OD1-O 3.38Å; N199-W371 VanDerWaalsContact OD1-O 3.1Å
200Y89.5Confident89.6Confident33 Ų3343.5 Ų43.513%0.12926%0.26CS..EExtended strand (participates in β ladder)trans-105.5136.4166.7170.9-107000109.6P202 V324 P326 W362 H365 T367 I368Y200-P202 HydrophobicContact CE1-CB 4.05Å; Y200-V324 WeakPolarHBondContact CB-O 3.4Å; Y200-P326 HydrophobicContact CD1-CB 4.27Å; Y200-P326 HydrophobicContact CD1-CG 4.42Å; Y200-P326 HydrophobicContact CD2-CB 3.96Å; Y200-P326 HydrophobicContact CD2-CG 3.6Å; Y200-P326 HydrophobicContact CE1-CB 4.17Å; Y200-P326 HydrophobicContact CE2-CB 3.8Å; Y200-P326 HydrophobicContact CE2-CG 3.91Å; Y200-P326 HydrophobicContact CG-CB 4.17Å; Y200-P326 HydrophobicContact CG-CG 3.86Å; Y200-W362 HydrophobicContact CD2-CE3 4.42Å; Y200-W362 AromaticContact CE2-CE3 3.9Å; Y200-W362 HydrophobicContact CE2-CE3 3.9Å; Y200-W362 HydrophobicContact CE2-CZ3 4.39Å; Y200-H365 PolarHBondContact OH-O 3.21Å; Y200-T367 CarbonylContact C-O 3.58Å; Y200-T367 WeakPolarHBondContact CA-O 3.47Å; Y200-T367 WeakPolarHBondContact CD2-O 3.06Å; Y200-I368 HydrophobicContact CD2-CG1 4.45Å
201V89.4Confident89.8Confident57 Ų5741.9 Ų41.935%0.34525%0.253SS..EExtended strand (participates in β ladder)trans-122.3116.4174.1-177.50000108.9N199 G366 T367 A370N199-V201 WeakPolarHBondContact ND2-CG2 3.22Å; V201-G366 CarbonylContact O-C 3.58Å; V201-G366 WeakPolarHBondContact O-CA 3.36Å; V201-T367 PolarHBondContact N-O 2.84Å; V201-T367 PolarHBondContact O-N 2.59Å; V201-A370 HydrophobicContact CB-CB 4.02Å; V201-A370 HydrophobicContact CG2-CB 3.72Å
202P91.7Very high90Very high34 Ų3451.4 Ų51.422%0.22129%0.294CS..EExtended strand (participates in β ladder)trans-69.2142.7173.529.9-33.5000110.3Y200 V204 H207 H365Y200-P202 HydrophobicContact CE1-CB 4.05Å; P202-V204 PolarHBondContact O-N 2.87Å; P202-H207 HydrophobicContact CB-CB 3.98Å; P202-H365 WeakPolarHBondContact CA-O 3.45Å
203S90.9Very high90.2Very high85 Ų8553.1 Ų53.159%0.59430%0.301SS*.SBendtrans-65.5-21175.7-55.20000112.9H365 G366S203-H365 PolarHBondContact N-O 3.22Å; S203-H365 VanDerWaalsContact OG-C 3.25Å; S203-H365 PolarHBondContact OG-O 2.94Å; S203-G366 PolarHBondContact OG-N 3.17Å
204V90.3Very high90.6Very high65 Ų6561.6 Ų61.639%0.39434%0.338SS..SBendtrans-118.9119.8174.5-1800000108.2P202 S206 H207P202-V204 PolarHBondContact O-N 2.87Å; V204-S206 WeakPolarHBondContact CG1-OG 3.31Å; V204-S206 PolarHBondContact O-N 2.59Å; V204-S206 VanDerWaalsContact O-N 3.16Å; V204-H207 WeakPolarHBondContact O-CB 3.29Å; V204-H207 PolarHBondContact O-N 3.37Å
205A86.1Confident90.9Very high64 Ų6464.3 Ų64.353%0.52935%0.354SS..THydrogen-bonded Turntrans-62.4-25.6-171.900000114.2Y68 H207Y68-A205 HydrophobicContact CD1-CB 4.13Å; Y68-A205 HydrophobicContact CE1-CB 3.89Å; Y68-A205 WeakPolarHBondContact CE1-O 3.13Å; A205-H207 VanDerWaalsContact C-N 3.29Å
206S88.2Confident91.2Very high91 Ų9164.7 Ų64.764%0.63636%0.357SS*.THydrogen-bonded Turntrans-78.5-9.9177.162.20000113.8V204V204-S206 WeakPolarHBondContact CG1-OG 3.31Å; V204-S206 PolarHBondContact O-N 2.59Å; V204-S206 VanDerWaalsContact O-N 3.16Å
207H90.3Very high91.4Very high52 Ų5269.3 Ų69.324%0.24139%0.39CS..  trans-72.7138177-66.1-179.7000110.7P202 V204 A205 T211 Y213P202-H207 HydrophobicContact CB-CB 3.98Å; V204-H207 WeakPolarHBondContact O-CB 3.29Å; V204-H207 PolarHBondContact O-N 3.37Å; A205-H207 VanDerWaalsContact C-N 3.29Å; H207-T211 WeakPolarHBondContact CA-OG1 3.36Å; H207-T211 HydrophobicContact CB-CG2 4.2Å; H207-Y213 WeakPolarHBondContact CB-OH 3.34Å; H207-Y213 AromaticContact CE1-CE1 3.61Å; H207-Y213 AromaticContact ND1-CE1 3.36Å; H207-Y213 WeakPolarHBondContact ND1-CE1 3.33Å; H207-Y213 AromaticContact ND1-CZ 3.58Å; H207-Y213 PolarHBondContact ND1-OH 3.18Å
208G89.5Confident91.7Very high23 Ų2373.7 Ų73.724%0.23741%0.406CS..  trans-136.7-173.6-176.900000112.3D210 T211 P327G208-D210 PolarHBondContact O-N 3.04Å; G208-T211 PolarHBondContact N-OG1 3.39Å; G208-T211 VanDerWaalsContact O-CB 3.28Å; G208-T211 WeakPolarHBondContact O-CB 3.46Å; G208-T211 PolarHBondContact O-N 3.09Å; G208-T211 PolarHBondContact O-OG1 3.05Å; G208-P327 WeakPolarHBondContact O-CG 3.42Å
209P90.4Very high92Very high59 Ų5974.6 Ų74.638%0.38341%0.412SS..THydrogen-bonded Turntrans-59.5-25-171.4-25.635.1000115.4K322P209-K322 HydrophobicContact CB-CB 4Å; P209-K322 WeakPolarHBondContact CB-O 2.99Å; P209-K322 WeakPolarHBondContact CG-O 3.34Å
210D91.8Very high92.6Very high130 Ų13074.7 Ų74.770%0.69541%0.411SS*.THydrogen-bonded Turntrans-98.32.4-179.6-58.4-50.4000113.4G208 K212G208-D210 PolarHBondContact O-N 3.04Å; D210-K212 PolarHBondContact O-N 2.85Å
211T94.5Very high92.9Very high37 Ų3773.3 Ų73.323%0.22741%0.406CS..PPolyproline II helixtrans-62.1129.7175.9-64.50000110.1H207 G208 Y213 P327H207-T211 WeakPolarHBondContact CA-OG1 3.36Å; H207-T211 HydrophobicContact CB-CG2 4.2Å; G208-T211 PolarHBondContact N-OG1 3.39Å; G208-T211 VanDerWaalsContact O-CB 3.28Å; G208-T211 WeakPolarHBondContact O-CB 3.46Å; G208-T211 PolarHBondContact O-N 3.09Å; G208-T211 PolarHBondContact O-OG1 3.05Å; T211-Y213 HydrophobicContact CG2-CD1 3.99Å; T211-Y213 HydrophobicContact CG2-CE1 3.41Å; T211-Y213 VanDerWaalsContact CG2-CE1 3.41Å; T211-Y213 HydrophobicContact CG2-CE2 4.3Å; T211-P327 VanDerWaalsContact O-CB 3.29Å; T211-P327 WeakPolarHBondContact O-CB 3.08Å
212K95Very high93.2Very high200 Ų20075.5 Ų75.587%0.8742%0.42SS*.PPolyproline II helixtrans-102.4118.8177.4-64.1-175.8-179.5-178.80110.1D210D210-K212 PolarHBondContact O-N 2.85Å
213Y96.2Very high93.4Very high37 Ų3776.9 Ų76.915%0.14544%0.44CS..PPolyproline II helixtrans-94.1159.8176-61.7-55.1000111.6H207 T211 P327 W362 H365H207-Y213 WeakPolarHBondContact CB-OH 3.34Å; H207-Y213 AromaticContact CE1-CE1 3.61Å; H207-Y213 AromaticContact ND1-CE1 3.36Å; H207-Y213 WeakPolarHBondContact ND1-CE1 3.33Å; H207-Y213 AromaticContact ND1-CZ 3.58Å; H207-Y213 PolarHBondContact ND1-OH 3.18Å; T211-Y213 HydrophobicContact CG2-CD1 3.99Å; T211-Y213 HydrophobicContact CG2-CE1 3.41Å; T211-Y213 VanDerWaalsContact CG2-CE1 3.41Å; T211-Y213 HydrophobicContact CG2-CE2 4.3Å; Y213-P327 HydrophobicContact CE2-CB 4.18Å; Y213-P327 HydrophobicContact CE2-CG 3.91Å; Y213-W362 HydrophobicContact CD2-CB 4.16Å; Y213-W362 HydrophobicContact CE2-CB 4.2Å; Y213-H365 HydrophobicContact CD1-CB 3.91Å; Y213-H365 AromaticContact CD1-CD2 3.13Å; Y213-H365 WeakPolarHBondContact CD1-CD2 3.43Å; 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 4.34Å; Y213-H365 AromaticContact CD2-CD2 3.94Å; Y213-H365 HydrophobicContact CE1-CB 3.52Å; Y213-H365 AromaticContact CE1-CD2 3.73Å; Y213-H365 AromaticContact CE1-CG 3.58Å; Y213-H365 HydrophobicContact CE2-CB 3.99Å; Y213-H365 HydrophobicContact CG-CB 4.3Å; Y213-H365 AromaticContact CG-CD2 3.25Å; Y213-H365 AromaticContact CG-CG 3.96Å; Y213-H365 AromaticContact CG-NE2 3.97Å
214K95.9Very high93.7Very high179 Ų17973.7 Ų73.778%0.77842%0.416SS*.PPolyproline II helixtrans-73.9155.9171.8-67.2-179-179.2176.60109.3A361K214-A361 VanDerWaalsContact O-CB 3.28Å; K214-A361 WeakPolarHBondContact O-CB 3.08Å
215L95.9Very high93.9Very high89 Ų8975.2 Ų75.247%0.46643%0.429SS..PPolyproline II helixtrans-53.5139.3174.4-75.2171.3000110.8T354 N357 E358L215-T354 HydrophobicContact CD1-CG2 3.84Å; L215-N357 HydrophobicContact CD2-CB 4.21Å; L215-E358 HydrophobicContact CD2-CB 4.39Å; L215-E358 HydrophobicContact CD2-CG 3.64Å
216P95.7Very high94.5Very high16 Ų1675.7 Ų75.710%0.10442%0.419CS..PPolyproline II helixtrans-67152.7179.429.2-33.9000110.8R218 Y220 N357 F360P216-R218 PolarHBondContact O-N 3.11Å; P216-Y220 HydrophobicContact CB-CD2 4.45Å; P216-Y220 HydrophobicContact CB-CE2 3.86Å; P216-Y220 HydrophobicContact CG-CD2 3.99Å; P216-Y220 HydrophobicContact CG-CE2 3.88Å; P216-N357 WeakPolarHBondContact CD-O 3.26Å; P216-N357 HydrophobicContact CG-CB 4.37Å; P216-F360 HydrophobicContact CG-CB 4.2Å
217S94Very high94.9Very high109 Ų10973.3 Ų73.376%0.76240%0.399SS*.SBendtrans-62.6-32.2175.554.60000113.1E364S217-E364 PolarHBondContact N-OE1 3.27Å; S217-E364 PolarHBondContact OG-OE1 3.32Å
218R95.4Very high95.3Very high140 Ų14071 Ų7153%0.52839%0.388SS..SBendtrans-89.6133.6178.5175.8-178.8176.4-173.60.1111.4P216 Y220 N357P216-R218 PolarHBondContact O-N 3.11Å; R218-Y220 HydrophobicContact CB-CD2 4.46Å; R218-Y220 HydrophobicContact CB-CE2 4.03Å; R218-Y220 HydrophobicContact CG-CD2 4.36Å; R218-Y220 HydrophobicContact CG-CE2 4.23Å; R218-Y220 VanDerWaalsContact O-CD2 3.24Å; R218-Y220 WeakPolarHBondContact O-CD2 3.35Å; R218-Y220 PolarHBondContact O-N 3.12Å; R218-N357 PolarHBondContact O-OD1 2.9Å
219N96.5Very high95.7Very high49 Ų4969.9 Ų69.926%0.26238%0.376SS..  trans-80.6104165.4-176.8-4.3000111.1A221 T222 E353 N357N219-A221 VanDerWaalsContact C-N 3.26Å; N219-A221 PolarHBondContact O-N 3.49Å; N219-A221 VanDerWaalsContact OD1-CB 3.27Å; N219-A221 WeakPolarHBondContact OD1-CB 3.32Å; N219-A221 PolarHBondContact OD1-N 3.22Å; N219-T222 WeakPolarHBondContact O-CB 3.34Å; N219-T222 PolarHBondContact O-N 2.73Å; N219-T222 PolarHBondContact O-OG1 3.37Å; N219-E353 PolarHBondContact ND2-OE2 2.78Å; N219-N357 WeakPolarHBondContact CA-OD1 3.04Å; N219-N357 PolarHBondContact OD1-ND2 2.03Å
220Y96.8Very high96.1Very high19 Ų1967.2 Ų67.28%0.07536%0.359CS..THydrogen-bonded Turntrans-72.6-11.5179.5-73.6-90000114.1P216 R218 T222 K224 N308 N357 F360 H363P216-Y220 HydrophobicContact CB-CD2 4.45Å; P216-Y220 HydrophobicContact CB-CE2 3.86Å; P216-Y220 HydrophobicContact CG-CD2 3.99Å; P216-Y220 HydrophobicContact CG-CE2 3.88Å; R218-Y220 HydrophobicContact CB-CD2 4.46Å; R218-Y220 HydrophobicContact CB-CE2 4.03Å; R218-Y220 HydrophobicContact CG-CD2 4.36Å; R218-Y220 HydrophobicContact CG-CE2 4.23Å; R218-Y220 VanDerWaalsContact O-CD2 3.24Å; R218-Y220 WeakPolarHBondContact O-CD2 3.35Å; R218-Y220 PolarHBondContact O-N 3.12Å; Y220-T222 VanDerWaalsContact C-N 3.34Å; Y220-K224 WeakPolarHBondContact O-CD 3.5Å; Y220-K224 WeakPolarHBondContact O-CE 3.42Å; Y220-N308 HydrophobicContact CD1-CB 3.94Å; Y220-N308 HydrophobicContact CE1-CB 4.12Å; Y220-N357 PolarHBondContact N-OD1 2.89Å; Y220-F360 HydrophobicContact CD1-CB 4.42Å; Y220-F360 AromaticContact CD1-CD1 3.76Å; Y220-F360 HydrophobicContact CD1-CD1 3.76Å; Y220-F360 HydrophobicContact CD1-CE1 4.19Å; Y220-F360 HydrophobicContact CD1-CG 4.05Å; Y220-F360 HydrophobicContact CD2-CB 3.34Å; Y220-F360 HydrophobicContact CD2-CD1 4.2Å; Y220-F360 HydrophobicContact CD2-CD2 4.23Å; Y220-F360 AromaticContact CD2-CG 3.67Å; Y220-F360 HydrophobicContact CD2-CG 3.67Å; Y220-F360 HydrophobicContact CE1-CD1 4.19Å; Y220-F360 HydrophobicContact CE2-CB 3.61Å; Y220-F360 HydrophobicContact CE2-CG 4.26Å; Y220-F360 HydrophobicContact CG-CB 3.8Å; Y220-F360 AromaticContact CG-CD1 3.77Å; Y220-F360 HydrophobicContact CG-CD1 3.77Å; Y220-F360 AromaticContact CG-CD2 3.98Å; Y220-F360 HydrophobicContact CG-CD2 3.98Å; 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 3.67Å; Y220-H363 AromaticContact CE1-NE2 3.81Å; Y220-H363 AromaticContact CZ-CD2 3.49Å; Y220-H363 VanDerWaalsContact CZ-CD2 3.49Å; Y220-H363 AromaticContact CZ-CG 3.98Å; Y220-H363 PolarHBondContact OH-CD2 3.24Å
221A96.8Very high96.3Very high5 Ų562.3 Ų62.34%0.04133%0.331CS..THydrogen-bonded Turntrans-76.8-24173.900000112.3N219 G223 K224 E353 Y356N219-A221 VanDerWaalsContact C-N 3.26Å; N219-A221 PolarHBondContact O-N 3.49Å; N219-A221 VanDerWaalsContact OD1-CB 3.27Å; N219-A221 WeakPolarHBondContact OD1-CB 3.32Å; N219-A221 PolarHBondContact OD1-N 3.22Å; A221-G223 PolarHBondContact O-N 3.35Å; A221-K224 WeakPolarHBondContact O-CB 3.11Å; A221-K224 PolarHBondContact O-N 2.92Å; A221-K224 VanDerWaalsContact O-N 3.09Å; A221-E353 HydrophobicContact CB-CG 4.19Å; A221-Y356 HydrophobicContact CB-CD1 3.73Å; A221-Y356 HydrophobicContact CB-CE1 3.89Å; A221-Y356 HydrophobicContact CB-CG 4.49Å
222T96.1Very high96.3Very high102 Ų10261 Ų6163%0.62632%0.323SS*.THydrogen-bonded Turntrans-51.5123.1-175.3-51.10000112.2N219 Y220 K224N219-T222 WeakPolarHBondContact O-CB 3.34Å; N219-T222 PolarHBondContact O-N 2.73Å; N219-T222 PolarHBondContact O-OG1 3.37Å; Y220-T222 VanDerWaalsContact C-N 3.34Å; T222-K224 VanDerWaalsContact C-N 3.28Å; T222-K224 PolarHBondContact O-N 3.47Å
223G95Very high96.2Very high63 Ų6355 Ų5565%0.64931%0.306SS*.THydrogen-bonded Turntrans83.6-10.8175.900000115.6A221 S225A221-G223 PolarHBondContact O-N 3.35Å; G223-S225 PolarHBondContact O-N 3.4Å
224K97.3Very high96.2Very high19 Ų1956.1 Ų56.18%0.08332%0.315CS..  trans-82.4114.2177-63.3169.9179.7-71.70110Y220 A221 T222 G278 H280 Y281 K282 N308 Y356Y220-K224 WeakPolarHBondContact O-CD 3.5Å; Y220-K224 WeakPolarHBondContact O-CE 3.42Å; A221-K224 WeakPolarHBondContact O-CB 3.11Å; A221-K224 PolarHBondContact O-N 2.92Å; A221-K224 VanDerWaalsContact O-N 3.09Å; T222-K224 VanDerWaalsContact C-N 3.28Å; T222-K224 PolarHBondContact O-N 3.47Å; K224-G278 PolarHBondContact NZ-O 2.9Å; K224-H280 CarbonylContact C-O 3.47Å; K224-H280 WeakPolarHBondContact CA-O 3.25Å; K224-Y281 VanDerWaalsContact CD-O 3.22Å; K224-Y281 WeakPolarHBondContact CD-O 3.1Å; K224-Y281 PolarHBondContact NZ-O 3.12Å; K224-K282 HydrophobicContact CB-CG 3.89Å; K224-K282 HydrophobicContact CD-CG 4.08Å; K224-N308 WeakPolarHBondContact CE-O 3.33Å; K224-N308 PolarHBondContact NZ-O 3.23Å; K224-Y356 WeakPolarHBondContact CD-OH 3.44Å
225S95.7Very high96.2Very high96 Ų9649.6 Ų49.667%0.67129%0.291SS*.  trans-105-9.4-178.8590000114.2G223 H280G223-S225 PolarHBondContact O-N 3.4Å; S225-H280 PolarHBondContact N-O 2.97Å; S225-H280 VanDerWaalsContact N-O 3.13Å
226K97.5Very high96.2Very high75 Ų7553.2 Ų53.233%0.32631%0.306SS..EExtended strand (participates in β ladder)trans-112.8151.3-178.7-61-172.9171-161.90110.9D255 H280 Y281 K282K226-D255 IonicContact NZ-OD2 3.72Å; K226-D255 PolarHBondContact NZ-OD2 3.14Å; K226-H280 WeakPolarHBondContact CA-O 3.14Å; K226-H280 WeakPolarHBondContact CB-O 3.08Å; K226-H280 HydrophobicContact CD-CB 4.37Å; K226-H280 HydrophobicContact CG-CB 4.5Å; K226-H280 PolarHBondContact N-O 3.5Å; 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 4.03Å; K226-Y281 HydrophobicContact CD-CD1 4.15Å; K226-Y281 HydrophobicContact CD-CE1 3.42Å; K226-Y281 VanDerWaalsContact CD-CE1 3.42Å; K226-Y281 HydrophobicContact CD-CE2 3.94Å; K226-Y281 WeakPolarHBondContact CD-OH 3.37Å; K226-Y281 HydrophobicContact CG-CD1 4.48Å; K226-Y281 HydrophobicContact CG-CE1 4.16Å; K226-Y281 PolarHBondContact NZ-OH 3.35Å; K226-Y281 VanDerWaalsContact NZ-OH 3.12Å; K226-Y281 WeakPolarHBondContact O-CA 3.02Å; K226-K282 PolarHBondContact O-N 2.91Å
227M96.6Very high96.2Very high41 Ų4153.4 Ų53.420%0.20231%0.307CS..EExtended strand (participates in β ladder)trans-86.6-76.1-177.7-60.8-175.483.700111.4I252 K282 F283 K347 D350M227-I252 HydrophobicContact CB-CD1 4.19Å; M227-I252 HydrophobicContact CB-CG1 4.47Å; M227-I252 HydrophobicContact CE-CD1 3.42Å; M227-I252 VanDerWaalsContact CE-CD1 3.42Å; M227-I252 HydrophobicContact CE-CG1 4.21Å; M227-I252 HydrophobicContact SD-CD1 3.74Å; M227-I252 HydrophobicContact SD-CG1 3.87Å; M227-K282 PolarHBondContact O-N 2.95Å; M227-F283 HydrophobicContact CB-CD2 4.32Å; M227-F283 HydrophobicContact CE-CE2 4.42Å; M227-F283 WeakPolarHBondContact O-CD2 3.41Å; M227-F283 PolarHBondContact O-N 3.25Å; M227-K347 HydrophobicContact CE-CB 4.24Å; M227-K347 HydrophobicContact CE-CG 3.74Å; M227-D350 HydrophobicContact CE-CB 3.58Å
228V98.7Very high96.2Very high2 Ų255.4 Ų55.41%0.01230%0.302CS..EExtended strand (participates in β ladder)trans-119132.6-166.3-1690000111.3I252 I254 D255 F283 L285 L346V228-I252 HydrophobicContact CG2-CD1 3.65Å; V228-I252 HydrophobicContact CG2-CG1 4.09Å; V228-I254 HydrophobicContact CB-CG1 4.18Å; V228-I254 HydrophobicContact CB-CG2 4.43Å; V228-I254 HydrophobicContact CG1-CG1 4.19Å; V228-I254 HydrophobicContact CG1-CG2 4.02Å; V228-D255 PolarHBondContact O-N 3.14Å; V228-F283 WeakPolarHBondContact CA-O 3.4Å; V228-F283 HydrophobicContact CG2-CB 4.22Å; V228-F283 HydrophobicContact CG2-CD2 4.15Å; V228-L285 HydrophobicContact CG1-CD1 4.2Å; V228-L285 HydrophobicContact CG1-CD2 3.57Å; V228-L285 HydrophobicContact CG1-CG 3.65Å; V228-L346 HydrophobicContact CG2-CD1 3.89Å
229A98.3Very high96.2Very high0 Ų049.2 Ų49.20%028%0.28CS..EExtended strand (participates in β ladder)trans-121.7152.2167.300000111.8F231 D255 L277 Y281 F283 Y284 L285A229-F231 HydrophobicContact CB-CE2 4.35Å; A229-D255 WeakPolarHBondContact CA-O 3.45Å; A229-L277 HydrophobicContact CB-CD1 3.37Å; A229-Y281 HydrophobicContact CB-CD1 3.49Å; A229-Y281 VanDerWaalsContact CB-CD1 3.49Å; A229-Y281 HydrophobicContact CB-CD2 4.03Å; A229-Y281 HydrophobicContact CB-CE1 3.58Å; A229-Y281 HydrophobicContact CB-CE2 4.06Å; A229-Y281 HydrophobicContact CB-CG 3.7Å; A229-F283 PolarHBondContact N-O 2.76Å; A229-Y284 WeakPolarHBondContact O-CA 3.34Å; A229-L285 PolarHBondContact O-N 3.47Å
230W98.1Very high96.2Very high4 Ų448 Ų482%0.01528%0.275CS..EExtended strand (participates in β ladder)trans-140.8127174.3-173.533000111.2V232 R241 M242 V245 I254 D255 I256 Y257 L285W230-V232 HydrophobicContact CD2-CB 4Å; W230-V232 HydrophobicContact CD2-CG1 3.71Å; W230-V232 HydrophobicContact CE3-CB 4.38Å; W230-V232 HydrophobicContact CE3-CG1 3.66Å; W230-V232 HydrophobicContact CG-CG1 4.36Å; W230-V232 HydrophobicContact CH2-CB 4.31Å; W230-V232 HydrophobicContact CH2-CG1 4.13Å; W230-V232 HydrophobicContact CH2-CG2 4.07Å; W230-V232 HydrophobicContact CZ2-CB 3.87Å; W230-V232 HydrophobicContact CZ2-CG1 4.12Å; W230-V232 HydrophobicContact CZ2-CG2 3.72Å; W230-V232 HydrophobicContact CZ3-CG1 3.88Å; W230-R241 HydrophobicContact CH2-CG 4.35Å; W230-R241 HydrophobicContact CZ2-CB 4.33Å; W230-R241 HydrophobicContact CZ2-CG 4.05Å; W230-M242 HydrophobicContact CH2-CE 4.46Å; W230-M242 HydrophobicContact CH2-SD 3.56Å; W230-M242 VanDerWaalsContact CH2-SD 3.56Å; W230-M242 HydrophobicContact CZ2-SD 4.46Å; W230-M242 HydrophobicContact CZ3-SD 4.24Å; W230-V245 HydrophobicContact CD2-CG2 4.08Å; W230-V245 HydrophobicContact CE3-CB 4.02Å; W230-V245 HydrophobicContact CE3-CG1 3.62Å; W230-V245 HydrophobicContact CE3-CG2 3.72Å; W230-V245 HydrophobicContact CH2-CB 4.11Å; W230-V245 HydrophobicContact CH2-CG2 3.73Å; W230-V245 HydrophobicContact CZ2-CG2 4.13Å; W230-V245 HydrophobicContact CZ3-CB 3.61Å; W230-V245 HydrophobicContact CZ3-CG1 3.6Å; W230-V245 HydrophobicContact CZ3-CG2 3.53Å; W230-I254 HydrophobicContact CB-CG2 4.18Å; W230-D255 PolarHBondContact N-O 3.24Å; W230-I256 HydrophobicContact CE3-CD1 4.17Å; W230-I256 HydrophobicContact CE3-CG1 4.25Å; W230-I256 HydrophobicContact CE3-CG2 3.84Å; W230-I256 CarbonylContact O-C 3.38Å; W230-I256 WeakPolarHBondContact O-CA 3.42Å; W230-Y257 PolarHBondContact O-N 3.28Å; W230-L285 HydrophobicContact CB-CB 4Å; W230-L285 HydrophobicContact CB-CD1 3.97Å; W230-L285 HydrophobicContact CB-CG 4.14Å; W230-L285 VanDerWaalsContact CD1-O 3.23Å; W230-L285 HydrophobicContact CD2-CD1 4.41Å; W230-L285 HydrophobicContact CG-CB 3.84Å; W230-L285 HydrophobicContact CG-CD1 4.07Å; W230-L285 HydrophobicContact CG-CG 4.37Å
231F95.7Very high96.2Very high27 Ų2747.3 Ų47.312%0.11827%0.272CS..EExtended strand (participates in β ladder)trans-107.6115.8177.7-74.9-114.6000108.4A229 Y257 C265 C273 F274 L277 Y284A229-F231 HydrophobicContact CB-CE2 4.35Å; F231-Y257 HydrophobicContact CD1-CG 4.27Å; F231-Y257 HydrophobicContact CD2-CD2 4.08Å; F231-Y257 HydrophobicContact CD2-CG 4.41Å; F231-Y257 HydrophobicContact CE1-CD1 4.26Å; F231-Y257 HydrophobicContact CE1-CD2 4.31Å; F231-Y257 AromaticContact CE1-CG 3.89Å; F231-Y257 HydrophobicContact CE1-CG 3.89Å; F231-Y257 AromaticContact CE2-CD2 3.65Å; F231-Y257 HydrophobicContact CE2-CD2 3.65Å; F231-Y257 HydrophobicContact CE2-CE2 4.13Å; F231-Y257 HydrophobicContact CE2-CG 4.08Å; F231-Y257 HydrophobicContact CZ-CD1 4.24Å; F231-Y257 AromaticContact CZ-CD2 3.78Å; F231-Y257 HydrophobicContact CZ-CD2 3.78Å; F231-Y257 HydrophobicContact CZ-CE2 4.19Å; F231-Y257 AromaticContact CZ-CG 3.81Å; F231-Y257 HydrophobicContact CZ-CG 3.81Å; F231-C265 HydrophobicContact CD1-CB 4.34Å; F231-C265 HydrophobicContact CE1-CB 3.96Å; F231-C273 HydrophobicContact CE1-CB 3.66Å; F231-C273 HydrophobicContact CZ-CB 4.11Å; F231-F274 HydrophobicContact CB-CE1 4.19Å; F231-F274 HydrophobicContact CB-CZ 4.47Å; F231-F274 HydrophobicContact CD1-CD1 4.44Å; F231-F274 AromaticContact CD1-CE1 3.9Å; F231-F274 HydrophobicContact CD1-CE1 3.9Å; F231-F274 HydrophobicContact CD1-CZ 4.25Å; F231-F274 HydrophobicContact CD2-CE1 4.22Å; F231-F274 HydrophobicContact CE1-CD1 4.4Å; F231-F274 HydrophobicContact CE1-CE1 4.29Å; F231-F274 AromaticContact CG-CE1 3.84Å; F231-F274 HydrophobicContact CG-CE1 3.84Å; F231-F274 HydrophobicContact CG-CZ 4.42Å; F231-F274 HydrophobicContact CZ-CD1 4.46Å; F231-L277 HydrophobicContact CE2-CD1 4.16Å; F231-Y284 HydrophobicContact CB-CE2 4.12Å; F231-Y284 HydrophobicContact CD2-CD2 4.28Å; F231-Y284 AromaticContact CD2-CE2 3.66Å; F231-Y284 HydrophobicContact CD2-CE2 3.66Å; F231-Y284 HydrophobicContact CG-CE2 4.24Å
232V95.7Very high96.2Very high8 Ų849.7 Ų49.75%0.04828%0.283CS..  trans-147128.3-170.756.60000111.9W230 I256 Y257 G258 T259 C260W230-V232 HydrophobicContact CD2-CB 4Å; W230-V232 HydrophobicContact CD2-CG1 3.71Å; W230-V232 HydrophobicContact CE3-CB 4.38Å; W230-V232 HydrophobicContact CE3-CG1 3.66Å; W230-V232 HydrophobicContact CG-CG1 4.36Å; W230-V232 HydrophobicContact CH2-CB 4.31Å; W230-V232 HydrophobicContact CH2-CG1 4.13Å; W230-V232 HydrophobicContact CH2-CG2 4.07Å; W230-V232 HydrophobicContact CZ2-CB 3.87Å; W230-V232 HydrophobicContact CZ2-CG1 4.12Å; W230-V232 HydrophobicContact CZ2-CG2 3.72Å; W230-V232 HydrophobicContact CZ3-CG1 3.88Å; V232-I256 HydrophobicContact CG1-CG2 3.59Å; V232-Y257 PolarHBondContact N-O 2.93Å; V232-G258 CarbonylContact O-C 3.59Å; V232-G258 WeakPolarHBondContact O-CA 3.34Å; V232-T259 PolarHBondContact O-N 3.4Å; V232-C260 HydrophobicContact CG1-CB 3.83Å; V232-C260 HydrophobicContact CG2-CB 4.26Å
233S93.2Very high96.2Very high74 Ų7446.8 Ų46.852%0.51726%0.263SS..  trans-118-26.9177.756.70000113.7C235 T259S233-C235 PolarHBondContact O-N 3.44Å; S233-T259 VanDerWaalsContact CA-OG1 3.24Å; S233-T259 WeakPolarHBondContact CA-OG1 3.41Å; S233-T259 PolarHBondContact O-OG1 3.08Å
234N94.7Very high96.4Very high62 Ų6243.8 Ų43.833%0.33223%0.233SC..  trans-90.3100175.2172.214.6000110.5Q236 R241N234-Q236 VanDerWaalsContact C-N 3.31Å; N234-Q236 PolarHBondContact O-N 2.8Å; N234-Q236 VanDerWaalsContact OD1-C 3.3Å; N234-Q236 PolarHBondContact OD1-N 3.46Å; N234-Q236 VanDerWaalsContact OD1-N 3.13Å; N234-Q236 PolarHBondContact OD1-O 3.24Å; N234-R241 PolarHBondContact O-NH2 2.03Å
235C96.4Very high96.4Very high41 Ų4143 Ų4328%0.27723%0.23SC..SBendtrans-84.4-6.1-175.9-42.10000113.8S233 P237 C260S233-C235 PolarHBondContact O-N 3.44Å; C235-P237 WeakPolarHBondContact O-CD 3.33Å; C235-C260 WeakPolarHBondContact CA-SG 3.48Å; C235-C260 HydrophobicContact CB-CB 3.89Å; C235-C260 WeakPolarHBondContact CB-SG 3.39Å; C235-C260 PolarHBondContact N-SG 3.47Å; C235-C260 WeakPolarHBondContact SG-CA 3.27Å; C235-C260 WeakPolarHBondContact SG-CB 3.24Å; C235-C260 CovalentContact SG-SG 2.03Å; C235-C260 PolarHBondContact SG-SG 3.29Å
236Q95.6Very high96.5Very high165 Ų16546.4 Ų46.477%0.77123%0.228SC*.SBendtrans-122.957.1178-59.7-60.6-29.200110.5N234N234-Q236 VanDerWaalsContact C-N 3.31Å; N234-Q236 PolarHBondContact O-N 2.8Å; N234-Q236 VanDerWaalsContact OD1-C 3.3Å; N234-Q236 PolarHBondContact OD1-N 3.46Å; N234-Q236 VanDerWaalsContact OD1-N 3.13Å; N234-Q236 PolarHBondContact OD1-O 3.24Å
237P95.7Very high96.5Very high21 Ų2144.8 Ų44.814%0.13622%0.221CC..  trans-67.1161.7178.332.8-36.6000111.1C235 S239 R241 M242C235-P237 WeakPolarHBondContact O-CD 3.33Å; P237-S239 VanDerWaalsContact C-N 3.33Å; P237-R241 HydrophobicContact CB-CG 4.04Å; P237-R241 HydrophobicContact CG-CG 3.51Å; P237-M242 HydrophobicContact CG-CG 3.76Å
238K95Very high96.6Very high150 Ų15042.8 Ų42.865%0.65221%0.211SC*.SBendtrans-83.7-13.8171.3-58.4-62.8-174.1-175.30112.2L169 N289L169-K238 HydrophobicContact CB-CB 4.3Å; L169-K238 HydrophobicContact CB-CG 3.98Å; L169-K238 HydrophobicContact CD1-CB 3.65Å; L169-K238 HydrophobicContact CD1-CG 4.19Å; K238-N289 PolarHBondContact N-O 2.77Å
239S95.6Very high96.6Very high10 Ų1045.2 Ų45.27%0.0723%0.228CC..SBendtrans-84.5159.8171.371.50000112.3P237 R241 E288 N289P237-S239 VanDerWaalsContact C-N 3.33Å; S239-R241 PolarHBondContact O-N 3.01Å; S239-R241 VanDerWaalsContact O-N 3.08Å; S239-R241 WeakPolarHBondContact OG-CG 3.48Å; S239-E288 WeakPolarHBondContact CB-O 3.21Å; S239-E288 PolarHBondContact OG-O 2.83Å; S239-N289 PolarHBondContact N-O 3.17Å; S239-N289 PolarHBondContact OG-O 3.44Å
240P95.8Very high96.6Very high23 Ų2353.7 Ų53.715%0.14926%0.26CS..THydrogen-bonded Turntrans-76.91417833.1-36.9000113.9M242 I243 Y244 L291 M314 I410 F414P240-M242 VanDerWaalsContact C-N 3.28Å; P240-M242 PolarHBondContact O-N 2.94Å; P240-M242 VanDerWaalsContact O-N 3.17Å; P240-I243 PolarHBondContact O-N 2.94Å; P240-I243 VanDerWaalsContact O-N 3.08Å; P240-Y244 PolarHBondContact O-N 2.83Å; P240-L291 HydrophobicContact CG-CD1 4.26Å; P240-M314 HydrophobicContact CG-SD 4.16Å; P240-I410 HydrophobicContact CG-CD1 3.75Å; P240-I410 HydrophobicContact CG-CG1 4.19Å; P240-F414 HydrophobicContact CB-CE1 4.08Å
241R96.9Very high96.6Very high5 Ų557.5 Ų57.52%0.01928%0.275CS..Hα-helixtrans-57.1-36.1-17068.6-179.5-165.3-171.6-14.7114W230 N234 P237 S239 Y244 V245 F287 N289 M314W230-R241 HydrophobicContact CH2-CG 4.35Å; W230-R241 HydrophobicContact CZ2-CB 4.33Å; W230-R241 HydrophobicContact CZ2-CG 4.05Å; N234-R241 PolarHBondContact O-NH2 2.03Å; P237-R241 HydrophobicContact CB-CG 4.04Å; P237-R241 HydrophobicContact CG-CG 3.51Å; S239-R241 PolarHBondContact O-N 3.01Å; S239-R241 VanDerWaalsContact O-N 3.08Å; S239-R241 WeakPolarHBondContact OG-CG 3.48Å; R241-Y244 PolarHBondContact O-N 3.3Å; R241-V245 WeakPolarHBondContact O-CB 3.03Å; R241-V245 VanDerWaalsContact O-CG2 3.31Å; R241-V245 WeakPolarHBondContact O-CG2 3.37Å; R241-V245 PolarHBondContact O-N 3.08Å; R241-F287 HydrophobicContact CB-CB 3.89Å; R241-F287 HydrophobicContact CB-CD2 3.9Å; R241-F287 HydrophobicContact CB-CG 4.33Å; R241-F287 PolarHBondContact NH1-O 2.83Å; R241-N289 PolarHBondContact NH1-OD1 2.96Å; R241-N289 PolarHBondContact NH2-OD1 3.21Å; R241-M314 HydrophobicContact CB-SD 3.96Å
242M97.2Very high96.8Very high56 Ų5656.6 Ų56.628%0.27627%0.272SS..Hα-helixtrans-64.9-43.6179-63-56-61.700111.4W230 P237 P240 R246 C260W230-M242 HydrophobicContact CH2-CE 4.46Å; W230-M242 HydrophobicContact CH2-SD 3.56Å; W230-M242 VanDerWaalsContact CH2-SD 3.56Å; W230-M242 HydrophobicContact CZ2-SD 4.46Å; W230-M242 HydrophobicContact CZ3-SD 4.24Å; P237-M242 HydrophobicContact CG-CG 3.76Å; P240-M242 VanDerWaalsContact C-N 3.28Å; P240-M242 PolarHBondContact O-N 2.94Å; P240-M242 VanDerWaalsContact O-N 3.17Å; M242-R246 WeakPolarHBondContact O-CB 3.39Å; M242-R246 PolarHBondContact O-N 2.94Å; M242-R246 VanDerWaalsContact O-N 3.09Å; M242-C260 HydrophobicContact CE-CB 4.06Å
243I96.2Very high96.9Very high40 Ų4063 Ų6321%0.20530%0.301CS..Hα-helixtrans-69.4-42.5179.5-63.5172.1000109.9P240 R246 E247 W412 F414P240-I243 PolarHBondContact O-N 2.94Å; P240-I243 VanDerWaalsContact O-N 3.08Å; I243-R246 PolarHBondContact O-N 3.37Å; I243-E247 PolarHBondContact O-N 3.12Å; I243-E247 VanDerWaalsContact O-N 3.09Å; I243-W412 HydrophobicContact CG2-CH2 4.19Å; I243-W412 HydrophobicContact CG2-CZ3 4.24Å; I243-F414 HydrophobicContact CD1-CE2 4.27Å
244Y98.1Very high97.1Very high1 Ų160.3 Ų60.30%0.00428%0.28CS..Hα-helixtrans-62.5-46178.9-165.4-78.5000112.1P240 R241 E247 L248 F287 M314 V333 P339 L342 I410 W412P240-Y244 PolarHBondContact O-N 2.83Å; R241-Y244 PolarHBondContact O-N 3.3Å; Y244-E247 PolarHBondContact O-N 3.17Å; Y244-L248 HydrophobicContact CE1-CD2 4.41Å; Y244-L248 WeakPolarHBondContact O-CB 3.3Å; Y244-L248 PolarHBondContact O-N 3.12Å; Y244-F287 AromaticContact CD1-CE2 3.79Å; Y244-F287 HydrophobicContact CD1-CE2 3.79Å; Y244-F287 AromaticContact CD1-CZ 3.91Å; Y244-F287 HydrophobicContact CD1-CZ 3.91Å; Y244-F287 HydrophobicContact CE1-CE2 4.43Å; Y244-F287 HydrophobicContact CE1-CZ 4.09Å; Y244-F287 HydrophobicContact CG-CE2 4.49Å; Y244-M314 VanDerWaalsContact CB-CE 3.47Å; Y244-M314 HydrophobicContact CD1-CE 3.81Å; Y244-M314 HydrophobicContact CD2-CE 3.32Å; Y244-M314 HydrophobicContact CE1-CE 4.39Å; Y244-M314 HydrophobicContact CE2-CE 3.97Å; Y244-M314 HydrophobicContact CG-CE 3.24Å; Y244-V333 HydrophobicContact CE1-CB 4.47Å; Y244-V333 HydrophobicContact CE1-CG1 3.78Å; Y244-V333 HydrophobicContact CE2-CB 4.12Å; Y244-V333 HydrophobicContact CE2-CG1 4.24Å; Y244-P339 HydrophobicContact CD1-CG 4.41Å; Y244-P339 HydrophobicContact CD2-CG 4.14Å; Y244-P339 HydrophobicContact CE1-CB 4.26Å; Y244-P339 HydrophobicContact CE1-CG 4.12Å; Y244-P339 HydrophobicContact CE2-CG 3.83Å; Y244-P339 HydrophobicContact CG-CG 4.41Å; Y244-L342 HydrophobicContact CE1-CD2 3.85Å; Y244-L342 WeakPolarHBondContact OH-CD2 3.45Å; Y244-I410 HydrophobicContact CD2-CD1 3.81Å; Y244-I410 HydrophobicContact CE2-CD1 4.25Å; Y244-W412 HydrophobicContact CD2-CD2 4.24Å; Y244-W412 AromaticContact CD2-CE3 3.44Å; Y244-W412 HydrophobicContact CD2-CE3 3.44Å; Y244-W412 VanDerWaalsContact CD2-CE3 3.44Å; Y244-W412 AromaticContact CD2-CZ3 3.87Å; Y244-W412 HydrophobicContact CD2-CZ3 3.87Å; Y244-W412 HydrophobicContact CE2-CB 4.19Å; Y244-W412 HydrophobicContact CE2-CD2 4.32Å; Y244-W412 AromaticContact CE2-CE3 3.95Å; Y244-W412 HydrophobicContact CE2-CE3 3.95Å; Y244-W412 HydrophobicContact CE2-CG 4.47Å; Y244-W412 HydrophobicContact CG-CE3 4.36Å; Y244-W412 HydrophobicContact CG-CZ3 4.36Å
245V98.2Very high97.3Very high3 Ų358.2 Ų58.22%0.01827%0.269CS..Hα-helixtrans-64.2-41.9177.6174.20000111W230 R241 E247 L248 S249 I254 I256 L285 F287W230-V245 HydrophobicContact CD2-CG2 4.08Å; W230-V245 HydrophobicContact CE3-CB 4.02Å; W230-V245 HydrophobicContact CE3-CG1 3.62Å; W230-V245 HydrophobicContact CE3-CG2 3.72Å; W230-V245 HydrophobicContact CH2-CB 4.11Å; W230-V245 HydrophobicContact CH2-CG2 3.73Å; W230-V245 HydrophobicContact CZ2-CG2 4.13Å; W230-V245 HydrophobicContact CZ3-CB 3.61Å; W230-V245 HydrophobicContact CZ3-CG1 3.6Å; W230-V245 HydrophobicContact CZ3-CG2 3.53Å; R241-V245 WeakPolarHBondContact O-CB 3.03Å; R241-V245 VanDerWaalsContact O-CG2 3.31Å; R241-V245 WeakPolarHBondContact O-CG2 3.37Å; R241-V245 PolarHBondContact O-N 3.08Å; V245-E247 VanDerWaalsContact C-N 3.27Å; V245-E247 PolarHBondContact O-N 3.44Å; V245-L248 PolarHBondContact O-N 3.34Å; V245-L248 VanDerWaalsContact O-N 3.16Å; V245-S249 WeakPolarHBondContact O-CB 3.22Å; V245-S249 PolarHBondContact O-N 2.86Å; V245-S249 PolarHBondContact O-OG 2.77Å; V245-S249 VanDerWaalsContact O-OG 3.04Å; V245-I254 HydrophobicContact CG1-CD1 3.95Å; V245-I256 HydrophobicContact CG1-CD1 4.01Å; V245-L285 HydrophobicContact CG1-CD1 4.44Å; 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
246R97.3Very high97.3Very high167 Ų16757.9 Ų57.963%0.6326%0.264SS*.Hα-helixtrans-56.2-41.7175.9-176.4-179.866.6-151.12.3112.3M242 I243M242-R246 WeakPolarHBondContact O-CB 3.39Å; M242-R246 PolarHBondContact O-N 2.94Å; M242-R246 VanDerWaalsContact O-N 3.09Å; I243-R246 PolarHBondContact O-N 3.37Å
247E98Very high97.3Very high40 Ų4051.3 Ų51.319%0.18723%0.233CC..Hα-helixtrans-69.5-47174.3-110.6-60.8136.500112I243 Y244 V245 S249 R250 Y251 P339 W412I243-E247 PolarHBondContact O-N 3.12Å; I243-E247 VanDerWaalsContact O-N 3.09Å; Y244-E247 PolarHBondContact O-N 3.17Å; V245-E247 VanDerWaalsContact C-N 3.27Å; V245-E247 PolarHBondContact O-N 3.44Å; E247-S249 VanDerWaalsContact C-N 3.26Å; E247-S249 PolarHBondContact O-N 3.47Å; E247-R250 VanDerWaalsContact O-CB 3.3Å; E247-R250 WeakPolarHBondContact O-CB 3.14Å; E247-R250 WeakPolarHBondContact O-CG 3.28Å; E247-R250 PolarHBondContact O-N 3.44Å; E247-R250 WeakPolarHBondContact OE1-CD 3.15Å; E247-R250 IonicContact OE1-CZ 2.72Å; E247-R250 IonicContact OE1-NE 2.7Å; E247-R250 IonicContact OE1-NH1 3.6Å; E247-R250 PolarHBondContact OE1-NH1 2.86Å; E247-Y251 WeakPolarHBondContact O-CD2 3.17Å; E247-Y251 VanDerWaalsContact O-CE2 3.3Å; E247-Y251 WeakPolarHBondContact O-CE2 3.38Å; E247-Y251 WeakPolarHBondContact OE2-CE2 3.39Å; E247-Y251 PolarHBondContact OE2-OH 3.35Å; E247-P339 HydrophobicContact CB-CB 4.21Å; E247-P339 HydrophobicContact CB-CG 3.99Å; E247-W412 HydrophobicContact CB-CH2 3.89Å; E247-W412 HydrophobicContact CB-CZ2 4.18Å; E247-W412 HydrophobicContact CG-CH2 3.79Å; E247-W412 HydrophobicContact CG-CZ2 3.8Å
248L98.6Very high97.3Very high0 Ų051.4 Ų51.40%024%0.238CC..Hα-helixtrans-57.2-39.8179.9-173.162.1000112.1Y244 V245 R250 Y251 I252 I254 L285 P339 L342 A343Y244-L248 HydrophobicContact CE1-CD2 4.41Å; Y244-L248 WeakPolarHBondContact O-CB 3.3Å; Y244-L248 PolarHBondContact O-N 3.12Å; V245-L248 PolarHBondContact O-N 3.34Å; V245-L248 VanDerWaalsContact O-N 3.16Å; L248-R250 PolarHBondContact O-N 2.83Å; L248-Y251 PolarHBondContact O-N 2.93Å; L248-I252 HydrophobicContact CD1-CG2 3.9Å; L248-I252 HydrophobicContact CG-CG2 3.81Å; L248-I252 PolarHBondContact O-N 2.74Å; L248-I254 HydrophobicContact CB-CD1 3.97Å; L248-I254 HydrophobicContact CD2-CD1 3.79Å; L248-I254 HydrophobicContact CG-CD1 3.77Å; L248-L285 HydrophobicContact CD2-CD1 4.4Å; L248-L285 HydrophobicContact CD2-CD2 4.3Å; L248-P339 HydrophobicContact CB-CB 4.11Å; L248-P339 HydrophobicContact CD1-CB 4.11Å; L248-P339 WeakPolarHBondContact CD1-O 3.44Å; L248-L342 HydrophobicContact CD1-CB 4.44Å; L248-L342 HydrophobicContact CD1-CD2 4.1Å; L248-L342 HydrophobicContact CD1-CG 4.25Å; L248-L342 HydrophobicContact CD2-CD2 4.12Å; L248-A343 HydrophobicContact CD1-CB 3.95Å
249S98.2Very high97.2Very high52 Ų5249.5 Ų49.536%0.36424%0.238SC..THydrogen-bonded Turntrans-58.4-17.9177.4-68.90000114.2V245 E247 Y251 I252 I254V245-S249 WeakPolarHBondContact O-CB 3.22Å; V245-S249 PolarHBondContact O-N 2.86Å; V245-S249 PolarHBondContact O-OG 2.77Å; V245-S249 VanDerWaalsContact O-OG 3.04Å; E247-S249 VanDerWaalsContact C-N 3.26Å; E247-S249 PolarHBondContact O-N 3.47Å; S249-Y251 VanDerWaalsContact C-N 3.29Å; S249-I252 WeakPolarHBondContact CA-O 3.44Å; S249-I254 WeakPolarHBondContact OG-CD1 3.36Å
250R98.3Very high97.2Very high179 Ų17950.4 Ų50.468%0.67525%0.245SC*.THydrogen-bonded Turntrans-73.4-23.3175.3-59176.669.8179.70.4112.7E247 L248E247-R250 VanDerWaalsContact O-CB 3.3Å; E247-R250 WeakPolarHBondContact O-CB 3.14Å; E247-R250 WeakPolarHBondContact O-CG 3.28Å; E247-R250 PolarHBondContact O-N 3.44Å; E247-R250 WeakPolarHBondContact OE1-CD 3.15Å; E247-R250 IonicContact OE1-CZ 2.72Å; E247-R250 IonicContact OE1-NE 2.7Å; E247-R250 IonicContact OE1-NH1 3.6Å; E247-R250 PolarHBondContact OE1-NH1 2.86Å; L248-R250 PolarHBondContact O-N 2.83Å
251Y98.6Very high97.2Very high84 Ų8450.5 Ų50.533%0.32925%0.25SC..THydrogen-bonded Turntrans-113.1-20.6-173.1-47-75.2000113.2E247 L248 S249 A340 A343 K347E247-Y251 WeakPolarHBondContact O-CD2 3.17Å; E247-Y251 VanDerWaalsContact O-CE2 3.3Å; E247-Y251 WeakPolarHBondContact O-CE2 3.38Å; E247-Y251 WeakPolarHBondContact OE2-CE2 3.39Å; E247-Y251 PolarHBondContact OE2-OH 3.35Å; L248-Y251 PolarHBondContact O-N 2.93Å; S249-Y251 VanDerWaalsContact C-N 3.29Å; Y251-A340 HydrophobicContact CD1-CB 3.97Å; Y251-A340 HydrophobicContact CD2-CB 3.89Å; Y251-A340 HydrophobicContact CE1-CB 3.84Å; Y251-A340 HydrophobicContact CE2-CB 3.73Å; Y251-A340 HydrophobicContact CG-CB 4.01Å; Y251-A343 HydrophobicContact CG-CB 4.48Å; Y251-K347 WeakPolarHBondContact O-CE 3.34Å; Y251-K347 PolarHBondContact O-NZ 3.44Å
252I98.6Very high97.1Very high8 Ų856.7 Ų56.74%0.04129%0.288CS..SBendtrans-146.5141.5-179.5-171.5165.2000109.8M227 V228 L248 S249 I254 A343 L346M227-I252 HydrophobicContact CB-CD1 4.19Å; M227-I252 HydrophobicContact CB-CG1 4.47Å; M227-I252 HydrophobicContact CE-CD1 3.42Å; M227-I252 VanDerWaalsContact CE-CD1 3.42Å; M227-I252 HydrophobicContact CE-CG1 4.21Å; M227-I252 HydrophobicContact SD-CD1 3.74Å; M227-I252 HydrophobicContact SD-CG1 3.87Å; V228-I252 HydrophobicContact CG2-CD1 3.65Å; V228-I252 HydrophobicContact CG2-CG1 4.09Å; L248-I252 HydrophobicContact CD1-CG2 3.9Å; L248-I252 HydrophobicContact CG-CG2 3.81Å; L248-I252 PolarHBondContact O-N 2.74Å; S249-I252 WeakPolarHBondContact CA-O 3.44Å; I252-I254 HydrophobicContact CG2-CG1 4.27Å; I252-I254 PolarHBondContact O-N 2.93Å; I252-A343 HydrophobicContact CB-CB 4.01Å; I252-A343 HydrophobicContact CG2-CB 3.9Å; I252-L346 HydrophobicContact CD1-CB 3.77Å; I252-L346 HydrophobicContact CD1-CD1 4.11Å
253Q97.8Very high97Very high141 Ų14156.8 Ų56.866%0.65929%0.289SS*.  trans-66.3132.9174.9-179-179.8-23.100110D255Q253-D255 PolarHBondContact NE2-OD1 3.28Å
254I98.6Very high96.8Very high18 Ų1861.8 Ų61.89%0.09232%0.315CS..EExtended strand (participates in β ladder)trans-129119177.4-52.1175.6000108V228 W230 V245 L248 S249 I252 I256 L285V228-I254 HydrophobicContact CB-CG1 4.18Å; V228-I254 HydrophobicContact CB-CG2 4.43Å; V228-I254 HydrophobicContact CG1-CG1 4.19Å; V228-I254 HydrophobicContact CG1-CG2 4.02Å; W230-I254 HydrophobicContact CB-CG2 4.18Å; V245-I254 HydrophobicContact CG1-CD1 3.95Å; L248-I254 HydrophobicContact CB-CD1 3.97Å; L248-I254 HydrophobicContact CD2-CD1 3.79Å; L248-I254 HydrophobicContact CG-CD1 3.77Å; S249-I254 WeakPolarHBondContact OG-CD1 3.36Å; I252-I254 HydrophobicContact CG2-CG1 4.27Å; I252-I254 PolarHBondContact O-N 2.93Å; I254-I256 HydrophobicContact CB-CG1 4.46Å; I254-I256 HydrophobicContact CG2-CG1 3.91Å; I254-I256 PolarHBondContact O-N 2.8Å; I254-L285 HydrophobicContact CD1-CD1 4.27Å; I254-L285 HydrophobicContact CG2-CD1 4.15Å
255D97.8Very high96.5Very high19 Ų1962.9 Ų62.910%0.10232%0.323CS..EExtended strand (participates in β ladder)trans-85.8110.8174.9-76.33.9000108.5K226 V228 A229 W230 Q253 Y257 L263 Y281K226-D255 IonicContact NZ-OD2 3.72Å; K226-D255 PolarHBondContact NZ-OD2 3.14Å; V228-D255 PolarHBondContact O-N 3.14Å; A229-D255 WeakPolarHBondContact CA-O 3.45Å; W230-D255 PolarHBondContact N-O 3.24Å; Q253-D255 PolarHBondContact NE2-OD1 3.28Å; D255-Y257 HydrophobicContact CB-CE2 4.12Å; D255-L263 HydrophobicContact CB-CD1 3.54Å; D255-Y281 HydrophobicContact CB-CE1 3.74Å; D255-Y281 VanDerWaalsContact CB-OH 3.23Å; D255-Y281 WeakPolarHBondContact CB-OH 3.46Å; D255-Y281 PolarHBondContact OD2-OH 2.66Å
256I97.6Very high96Very high33 Ų3365.4 Ų65.417%0.16934%0.339CS..EExtended strand (participates in β ladder)trans-103.4114.9-173.3-50.5176.9000109.9W230 V232 V245 I254 G261 T262 L263W230-I256 HydrophobicContact CE3-CD1 4.17Å; W230-I256 HydrophobicContact CE3-CG1 4.25Å; W230-I256 HydrophobicContact CE3-CG2 3.84Å; W230-I256 CarbonylContact O-C 3.38Å; W230-I256 WeakPolarHBondContact O-CA 3.42Å; V232-I256 HydrophobicContact CG1-CG2 3.59Å; V245-I256 HydrophobicContact CG1-CD1 4.01Å; I254-I256 HydrophobicContact CB-CG1 4.46Å; I254-I256 HydrophobicContact CG2-CG1 3.91Å; I254-I256 PolarHBondContact O-N 2.8Å; I256-G261 WeakPolarHBondContact O-CA 3.37Å; I256-T262 PolarHBondContact O-N 2.89Å; I256-L263 WeakPolarHBondContact O-CB 2.91Å; I256-L263 PolarHBondContact O-N 3.42Å
257Y96.1Very high95.4Very high28 Ų2867 Ų6711%0.1135%0.345CS..EExtended strand (participates in β ladder)trans-100.1145.1178.1-67-98.5000111.7W230 F231 V232 D255 L263 C265 Y281W230-Y257 PolarHBondContact O-N 3.28Å; F231-Y257 HydrophobicContact CD1-CG 4.27Å; F231-Y257 HydrophobicContact CD2-CD2 4.08Å; F231-Y257 HydrophobicContact CD2-CG 4.41Å; F231-Y257 HydrophobicContact CE1-CD1 4.26Å; F231-Y257 HydrophobicContact CE1-CD2 4.31Å; F231-Y257 AromaticContact CE1-CG 3.89Å; F231-Y257 HydrophobicContact CE1-CG 3.89Å; F231-Y257 AromaticContact CE2-CD2 3.65Å; F231-Y257 HydrophobicContact CE2-CD2 3.65Å; F231-Y257 HydrophobicContact CE2-CE2 4.13Å; F231-Y257 HydrophobicContact CE2-CG 4.08Å; F231-Y257 HydrophobicContact CZ-CD1 4.24Å; F231-Y257 AromaticContact CZ-CD2 3.78Å; F231-Y257 HydrophobicContact CZ-CD2 3.78Å; F231-Y257 HydrophobicContact CZ-CE2 4.19Å; F231-Y257 AromaticContact CZ-CG 3.81Å; F231-Y257 HydrophobicContact CZ-CG 3.81Å; V232-Y257 PolarHBondContact N-O 2.93Å; D255-Y257 HydrophobicContact CB-CE2 4.12Å; Y257-L263 VanDerWaalsContact CA-O 3.32Å; Y257-L263 WeakPolarHBondContact CA-O 3.42Å; Y257-L263 HydrophobicContact CD1-CB 3.51Å; Y257-L263 HydrophobicContact CD1-CD1 4.42Å; Y257-L263 HydrophobicContact CD2-CB 4.28Å; Y257-L263 HydrophobicContact CD2-CD1 4.05Å; Y257-L263 HydrophobicContact CE1-CB 3.69Å; Y257-L263 HydrophobicContact CE1-CD1 4.02Å; Y257-L263 HydrophobicContact CE1-CG 4.46Å; Y257-L263 HydrophobicContact CE2-CB 4.43Å; Y257-L263 HydrophobicContact CE2-CD1 3.61Å; Y257-L263 HydrophobicContact CG-CB 3.84Å; Y257-L263 HydrophobicContact CG-CD1 4.44Å; Y257-C265 HydrophobicContact CD1-CB 4.13Å; Y257-Y281 WeakPolarHBondContact CE2-OH 3.44Å; Y257-Y281 PolarHBondContact OH-OH 2.88Å
258G94.2Very high94.9Very high23 Ų2372.9 Ų72.924%0.23737%0.372CS..SBendtrans100.9-173.2176.500000112.9V232 C260 G261 L263V232-G258 CarbonylContact O-C 3.59Å; V232-G258 WeakPolarHBondContact O-CA 3.34Å; G258-C260 PolarHBondContact O-N 2.91Å; G258-G261 PolarHBondContact O-N 3.26Å; G258-L263 PolarHBondContact N-O 3.47Å
259T93.6Very high94.3Very high109 Ų10975.2 Ų75.267%0.66939%0.387SS*.THydrogen-bonded Turntrans-65.2-14.4-169.651.60000114.7V232 S233V232-T259 PolarHBondContact O-N 3.4Å; S233-T259 VanDerWaalsContact CA-OG1 3.24Å; S233-T259 WeakPolarHBondContact CA-OG1 3.41Å; S233-T259 PolarHBondContact O-OG1 3.08Å
260C96Very high93.8Very high30 Ų3075.9 Ų75.920%0.20338%0.384CS..THydrogen-bonded Turntrans-100.41.2176.6-37.50000113.4V232 C235 M242 G258V232-C260 HydrophobicContact CG1-CB 3.83Å; V232-C260 HydrophobicContact CG2-CB 4.26Å; C235-C260 WeakPolarHBondContact CA-SG 3.48Å; C235-C260 HydrophobicContact CB-CB 3.89Å; C235-C260 WeakPolarHBondContact CB-SG 3.39Å; C235-C260 PolarHBondContact N-SG 3.47Å; C235-C260 WeakPolarHBondContact SG-CA 3.27Å; C235-C260 WeakPolarHBondContact SG-CB 3.24Å; C235-C260 CovalentContact SG-SG 2.03Å; C235-C260 PolarHBondContact SG-SG 3.29Å; M242-C260 HydrophobicContact CE-CB 4.06Å; G258-C260 PolarHBondContact O-N 2.91Å
261G94.9Very high93.3Very high25 Ų2572.7 Ų72.726%0.25838%0.38SS..SBendtrans-123-172.8179.300000112.3I256 G258I256-G261 WeakPolarHBondContact O-CA 3.37Å; G258-G261 PolarHBondContact O-N 3.26Å
262T95.3Very high92.9Very high134 Ų13474.8 Ų74.882%0.82239%0.393SS*.SBendtrans-101.5-15.3178.7560000112.7I256I256-T262 PolarHBondContact O-N 2.89Å
263L95.7Very high92.5Very high58 Ų5874.9 Ų74.930%0.30440%0.395SS..BIsolated β-bridgetrans-93.2142.2179.2-57175000110.6D255 I256 Y257 G258D255-L263 HydrophobicContact CB-CD1 3.54Å; I256-L263 WeakPolarHBondContact O-CB 2.91Å; I256-L263 PolarHBondContact O-N 3.42Å; Y257-L263 VanDerWaalsContact CA-O 3.32Å; Y257-L263 WeakPolarHBondContact CA-O 3.42Å; Y257-L263 HydrophobicContact CD1-CB 3.51Å; Y257-L263 HydrophobicContact CD1-CD1 4.42Å; Y257-L263 HydrophobicContact CD2-CB 4.28Å; Y257-L263 HydrophobicContact CD2-CD1 4.05Å; Y257-L263 HydrophobicContact CE1-CB 3.69Å; Y257-L263 HydrophobicContact CE1-CD1 4.02Å; Y257-L263 HydrophobicContact CE1-CG 4.46Å; Y257-L263 HydrophobicContact CE2-CB 4.43Å; Y257-L263 HydrophobicContact CE2-CD1 3.61Å; Y257-L263 HydrophobicContact CG-CB 3.84Å; Y257-L263 HydrophobicContact CG-CD1 4.44Å; G258-L263 PolarHBondContact N-O 3.47Å
264I92.3Very high92.1Very high146 Ų14668.4 Ų68.475%0.74936%0.364SS*.  trans-98.7129-173.8-59.2172.3000109.1P266I264-P266 HydrophobicContact CG2-CG 3.95Å
265C91.2Very high91.7Very high23 Ų2370.5 Ų70.516%0.15538%0.381CS..  trans-136.998.5163.21780000108.2F231 Y257 C273F231-C265 HydrophobicContact CD1-CB 4.34Å; F231-C265 HydrophobicContact CE1-CB 3.96Å; Y257-C265 HydrophobicContact CD1-CB 4.13Å; C265-C273 VanDerWaalsContact CA-SG 3.51Å; C265-C273 HydrophobicContact CB-CB 3.84Å; C265-C273 WeakPolarHBondContact CB-SG 3.49Å; C265-C273 WeakPolarHBondContact SG-CB 3.29Å; C265-C273 CovalentContact SG-SG 2.03Å; C265-C273 PolarHBondContact SG-SG 3.48Å
266P87.7Confident91.3Very high56 Ų5673.1 Ų73.136%0.36439%0.394SS..  trans-66.7150.6177.1-16.131.6000110.9I264 E268 V269 E270I264-P266 HydrophobicContact CG2-CG 3.95Å; P266-E268 WeakPolarHBondContact CB-OE2 3.3Å; P266-E268 PolarHBondContact O-N 2.93Å; P266-V269 HydrophobicContact CB-CG2 4.1Å; P266-V269 HydrophobicContact CG-CG2 4.03Å; P266-V269 PolarHBondContact O-N 2.91Å; P266-E270 PolarHBondContact O-N 3.21Å
267R83.8Confident91Very high202 Ų20271.5 Ų71.576%0.76239%0.386SS*.G310 helixtrans-64.6-30.6-177.4-73.8-174.9175.1179.6-1.1112.3V269 E270R267-V269 PolarHBondContact O-N 3.29Å; R267-E270 WeakPolarHBondContact O-CB 3.12Å; R267-E270 PolarHBondContact O-N 2.84Å
268E87.3Confident90.8Very high162 Ų16271.1 Ų71.176%0.75739%0.39SS*.G310 helixtrans-66.7-20.9-177.9-57.272.7-15700112.5P266P266-E268 WeakPolarHBondContact CB-OE2 3.3Å; P266-E268 PolarHBondContact O-N 2.93Å
269V87.6Confident90.8Very high50 Ų5076.4 Ų76.430%0.30341%0.407SS..G310 helixtrans-126.223.9-179.8-62.90000111.7P266 R267 D271 Q272 C273P266-V269 HydrophobicContact CB-CG2 4.1Å; P266-V269 HydrophobicContact CG-CG2 4.03Å; P266-V269 PolarHBondContact O-N 2.91Å; R267-V269 PolarHBondContact O-N 3.29Å; V269-D271 VanDerWaalsContact C-N 3.33Å; V269-D271 PolarHBondContact O-N 3.14Å; V269-Q272 HydrophobicContact CB-CB 4.39Å; V269-Q272 HydrophobicContact CB-CG 4.49Å; V269-Q272 WeakPolarHBondContact O-CB 3.48Å; V269-Q272 PolarHBondContact O-N 2.75Å; V269-C273 PolarHBondContact O-N 2.85Å; V269-C273 VanDerWaalsContact O-N 3.12Å; V269-C273 PolarHBondContact O-SG 3.14Å
270E86.8Confident90.9Very high65 Ų6574 Ų7430%0.30439%0.388SS..Hα-helixtrans-55.2-45.9-174.2-178.4-179.2-11000112.3P266 R267 Q272 C273 F274 R302P266-E270 PolarHBondContact O-N 3.21Å; R267-E270 WeakPolarHBondContact O-CB 3.12Å; R267-E270 PolarHBondContact O-N 2.84Å; E270-Q272 PolarHBondContact O-N 2.84Å; E270-C273 WeakPolarHBondContact O-CB 3.3Å; E270-C273 PolarHBondContact O-N 2.8Å; E270-F274 HydrophobicContact CG-CD2 3.6Å; E270-F274 HydrophobicContact CG-CE2 3.28Å; E270-F274 HydrophobicContact CG-CZ 4.28Å; E270-F274 WeakPolarHBondContact O-CD2 3.33Å; E270-F274 PolarHBondContact O-N 3.44Å; E270-R302 IonicContact OE2-CZ 3.76Å; E270-R302 IonicContact OE2-NH1 2.84Å; E270-R302 PolarHBondContact OE2-NH1 2.93Å; E270-R302 IonicContact OE2-NH2 3.37Å; E270-R302 PolarHBondContact OE2-NH2 3.46Å
271D88.1Confident91Very high112 Ų11272.6 Ų72.660%0.59938%0.378SS*.Hα-helixtrans-61.1-34.6179-67-33.8000112.3V269 F274 S275 R302V269-D271 VanDerWaalsContact C-N 3.33Å; V269-D271 PolarHBondContact O-N 3.14Å; D271-F274 PolarHBondContact O-N 3.46Å; D271-S275 PolarHBondContact O-N 3.36Å; D271-R302 IonicContact OD1-CZ 2.68Å; D271-R302 IonicContact OD1-NH2 3.77Å; D271-R302 PolarHBondContact OD1-NH2 2.92Å
272Q89.8Confident91.2Very high128 Ų12872.2 Ų72.260%0.59837%0.37SS*.Hα-helixtrans-68.1-41.3176.3-59.4168.98.900110.3V269 E270 S275 L276V269-Q272 HydrophobicContact CB-CB 4.39Å; V269-Q272 HydrophobicContact CB-CG 4.49Å; V269-Q272 WeakPolarHBondContact O-CB 3.48Å; V269-Q272 PolarHBondContact O-N 2.75Å; E270-Q272 PolarHBondContact O-N 2.84Å; Q272-S275 PolarHBondContact O-N 3.42Å; Q272-S275 PolarHBondContact O-OG 3.34Å; Q272-L276 PolarHBondContact O-N 3.37Å
273C91.2Very high91.4Very high11 Ų1165.9 Ų65.97%0.07433%0.33CS..Hα-helixtrans-64.2-41.8174.5-49.80000112.3F231 C265 V269 E270 S275 L276 L277F231-C273 HydrophobicContact CE1-CB 3.66Å; F231-C273 HydrophobicContact CZ-CB 4.11Å; C265-C273 VanDerWaalsContact CA-SG 3.51Å; C265-C273 HydrophobicContact CB-CB 3.84Å; C265-C273 WeakPolarHBondContact CB-SG 3.49Å; C265-C273 WeakPolarHBondContact SG-CB 3.29Å; C265-C273 CovalentContact SG-SG 2.03Å; C265-C273 PolarHBondContact SG-SG 3.48Å; V269-C273 PolarHBondContact O-N 2.85Å; V269-C273 VanDerWaalsContact O-N 3.12Å; V269-C273 PolarHBondContact O-SG 3.14Å; E270-C273 WeakPolarHBondContact O-CB 3.3Å; E270-C273 PolarHBondContact O-N 2.8Å; C273-S275 VanDerWaalsContact C-N 3.27Å; C273-S275 PolarHBondContact O-N 2.74Å; C273-L276 VanDerWaalsContact O-CB 3.28Å; C273-L276 WeakPolarHBondContact O-CB 3.35Å; C273-L276 PolarHBondContact O-N 2.79Å; C273-L277 PolarHBondContact O-N 2.91Å
274F89.3Confident91.5Very high4 Ų463.1 Ų63.12%0.01832%0.316CS..Hα-helixtrans-64.9-32.8177-76.8-54.2000111.7F231 E270 D271 L276 L277 G278 Y284 N303 Q307F231-F274 HydrophobicContact CB-CE1 4.19Å; F231-F274 HydrophobicContact CB-CZ 4.47Å; F231-F274 HydrophobicContact CD1-CD1 4.44Å; F231-F274 AromaticContact CD1-CE1 3.9Å; F231-F274 HydrophobicContact CD1-CE1 3.9Å; F231-F274 HydrophobicContact CD1-CZ 4.25Å; F231-F274 HydrophobicContact CD2-CE1 4.22Å; F231-F274 HydrophobicContact CE1-CD1 4.4Å; F231-F274 HydrophobicContact CE1-CE1 4.29Å; F231-F274 AromaticContact CG-CE1 3.84Å; F231-F274 HydrophobicContact CG-CE1 3.84Å; F231-F274 HydrophobicContact CG-CZ 4.42Å; F231-F274 HydrophobicContact CZ-CD1 4.46Å; E270-F274 HydrophobicContact CG-CD2 3.6Å; E270-F274 HydrophobicContact CG-CE2 3.28Å; E270-F274 HydrophobicContact CG-CZ 4.28Å; E270-F274 WeakPolarHBondContact O-CD2 3.33Å; E270-F274 PolarHBondContact O-N 3.44Å; D271-F274 PolarHBondContact O-N 3.46Å; F274-L276 PolarHBondContact O-N 3.16Å; F274-L277 HydrophobicContact CD1-CD2 4.41Å; F274-L277 WeakPolarHBondContact O-CA 3.18Å; F274-L277 WeakPolarHBondContact O-CB 3.21Å; F274-L277 PolarHBondContact O-N 3.37Å; F274-G278 PolarHBondContact O-N 3.11Å; F274-Y284 HydrophobicContact CE1-CE2 4.41Å; F274-N303 HydrophobicContact CD1-CB 4.26Å; F274-N303 HydrophobicContact CE1-CB 3.81Å; F274-N303 HydrophobicContact CZ-CB 4.23Å; F274-N303 VanDerWaalsContact CZ-CG 3.43Å; F274-N303 WeakPolarHBondContact CZ-ND2 3.37Å; F274-N303 WeakPolarHBondContact CZ-OD1 3.49Å; F274-Q307 HydrophobicContact CB-CG 4.18Å; F274-Q307 PolarHBondContact O-OE1 2.69Å; F274-Q307 VanDerWaalsContact O-OE1 3.13Å
275S89.6Confident91.8Very high63 Ų6356.2 Ų56.244%0.44128%0.28SS..Hα-helixtrans-61.4-33.1171.7830000112.8D271 Q272 C273 L277 G278 K279D271-S275 PolarHBondContact O-N 3.36Å; Q272-S275 PolarHBondContact O-N 3.42Å; Q272-S275 PolarHBondContact O-OG 3.34Å; C273-S275 VanDerWaalsContact C-N 3.27Å; C273-S275 PolarHBondContact O-N 2.74Å; S275-L277 VanDerWaalsContact C-N 3.27Å; S275-L277 PolarHBondContact O-N 2.95Å; S275-G278 PolarHBondContact O-N 3.06Å; S275-K279 PolarHBondContact O-N 3.33Å; S275-K279 VanDerWaalsContact O-N 3.1Å
276L88.4Confident92.2Very high73 Ų7355.1 Ų55.138%0.38227%0.273SS..Hα-helixtrans-67-30.9174.1-59.8175.4000111.7Q272 C273 F274 K279 H280Q272-L276 PolarHBondContact O-N 3.37Å; C273-L276 VanDerWaalsContact O-CB 3.28Å; C273-L276 WeakPolarHBondContact O-CB 3.35Å; C273-L276 PolarHBondContact O-N 2.79Å; F274-L276 PolarHBondContact O-N 3.16Å; L276-K279 PolarHBondContact O-N 2.91Å; L276-H280 WeakPolarHBondContact O-CB 3.08Å; L276-H280 PolarHBondContact O-CD2 2.95Å; L276-H280 PolarHBondContact O-N 2.98Å
277L91.3Very high92.7Very high0 Ų052.5 Ų52.50%026%0.256CS..Hα-helixtrans-58.1-52.8173.6-17372.8000110A229 F231 C273 F274 S275 K279 H280 Y281 Y284 N303 Q307 V309A229-L277 HydrophobicContact CB-CD1 3.37Å; F231-L277 HydrophobicContact CE2-CD1 4.16Å; C273-L277 PolarHBondContact O-N 2.91Å; F274-L277 HydrophobicContact CD1-CD2 4.41Å; F274-L277 WeakPolarHBondContact O-CA 3.18Å; F274-L277 WeakPolarHBondContact O-CB 3.21Å; F274-L277 PolarHBondContact O-N 3.37Å; S275-L277 VanDerWaalsContact C-N 3.27Å; S275-L277 PolarHBondContact O-N 2.95Å; L277-K279 VanDerWaalsContact C-N 3.27Å; L277-K279 PolarHBondContact O-N 3.43Å; L277-H280 PolarHBondContact O-N 3.22Å; L277-Y281 HydrophobicContact CD1-CD2 4.02Å; L277-Y281 HydrophobicContact CD1-CG 4.08Å; L277-Y281 PolarHBondContact O-N 3.1Å; L277-Y284 HydrophobicContact CD1-CD2 3.72Å; L277-Y284 HydrophobicContact CD1-CG 4.39Å; L277-Y284 HydrophobicContact CD2-CD2 3.43Å; L277-Y284 VanDerWaalsContact CD2-CD2 3.43Å; L277-Y284 HydrophobicContact CD2-CE2 4.05Å; L277-Y284 HydrophobicContact CD2-CG 3.79Å; L277-Y284 HydrophobicContact CG-CD2 4.22Å; L277-N303 WeakPolarHBondContact CD2-O 3.44Å; L277-Q307 HydrophobicContact CD2-CB 4.24Å; L277-Q307 HydrophobicContact CD2-CG 4.34Å; L277-V309 HydrophobicContact CD2-CG2 4.36Å; L277-V309 HydrophobicContact CG-CG1 4.47Å; L277-V309 HydrophobicContact CG-CG2 3.92Å
278G92Very high93.4Very high19 Ų1943.1 Ų43.120%0.19622%0.221CC..Hα-helixtrans-64-30.5179.100000114.1K224 F274 S275 Q307K224-G278 PolarHBondContact NZ-O 2.9Å; F274-G278 PolarHBondContact O-N 3.11Å; S275-G278 PolarHBondContact O-N 3.06Å; G278-Q307 WeakPolarHBondContact CA-O 3.1Å
279K94.5Very high93.8Very high135 Ų13536.7 Ų36.759%0.58719%0.192SC*.Hα-helixtrans-77.9-37.2179.5-169.8174.2178.9-179.30113.8S275 L276 L277S275-K279 PolarHBondContact O-N 3.33Å; S275-K279 VanDerWaalsContact O-N 3.1Å; L276-K279 PolarHBondContact O-N 2.91Å; L277-K279 VanDerWaalsContact C-N 3.27Å; L277-K279 PolarHBondContact O-N 3.43Å
280H96.4Very high94.3Very high57 Ų5734.3 Ų34.326%0.26418%0.178SC..Hα-helixtrans-116.4-27.5-165.8-64.3-61.5000115.1K224 S225 K226 L276 L277K224-H280 CarbonylContact C-O 3.47Å; K224-H280 WeakPolarHBondContact CA-O 3.25Å; S225-H280 PolarHBondContact N-O 2.97Å; S225-H280 VanDerWaalsContact N-O 3.13Å; K226-H280 WeakPolarHBondContact CA-O 3.14Å; K226-H280 WeakPolarHBondContact CB-O 3.08Å; K226-H280 HydrophobicContact CD-CB 4.37Å; K226-H280 HydrophobicContact CG-CB 4.5Å; K226-H280 PolarHBondContact N-O 3.5Å; L276-H280 WeakPolarHBondContact O-CB 3.08Å; L276-H280 PolarHBondContact O-CD2 2.95Å; L276-H280 PolarHBondContact O-N 2.98Å; L277-H280 PolarHBondContact O-N 3.22Å
281Y98.4Very high94.8Very high2 Ų232.2 Ų32.21%0.00817%0.168CC..EExtended strand (participates in β ladder)trans-107.1144.1-169.8-63.2-94.2000112.5K224 K226 A229 D255 Y257 L277K224-Y281 VanDerWaalsContact CD-O 3.22Å; K224-Y281 WeakPolarHBondContact CD-O 3.1Å; K224-Y281 PolarHBondContact NZ-O 3.12Å; 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 4.03Å; K226-Y281 HydrophobicContact CD-CD1 4.15Å; K226-Y281 HydrophobicContact CD-CE1 3.42Å; K226-Y281 VanDerWaalsContact CD-CE1 3.42Å; K226-Y281 HydrophobicContact CD-CE2 3.94Å; K226-Y281 WeakPolarHBondContact CD-OH 3.37Å; K226-Y281 HydrophobicContact CG-CD1 4.48Å; K226-Y281 HydrophobicContact CG-CE1 4.16Å; K226-Y281 PolarHBondContact NZ-OH 3.35Å; K226-Y281 VanDerWaalsContact NZ-OH 3.12Å; K226-Y281 WeakPolarHBondContact O-CA 3.02Å; A229-Y281 HydrophobicContact CB-CD1 3.49Å; A229-Y281 VanDerWaalsContact CB-CD1 3.49Å; A229-Y281 HydrophobicContact CB-CD2 4.03Å; A229-Y281 HydrophobicContact CB-CE1 3.58Å; A229-Y281 HydrophobicContact CB-CE2 4.06Å; A229-Y281 HydrophobicContact CB-CG 3.7Å; D255-Y281 HydrophobicContact CB-CE1 3.74Å; D255-Y281 VanDerWaalsContact CB-OH 3.23Å; D255-Y281 WeakPolarHBondContact CB-OH 3.46Å; D255-Y281 PolarHBondContact OD2-OH 2.66Å; Y257-Y281 WeakPolarHBondContact CE2-OH 3.44Å; Y257-Y281 PolarHBondContact OH-OH 2.88Å; L277-Y281 HydrophobicContact CD1-CD2 4.02Å; L277-Y281 HydrophobicContact CD1-CG 4.08Å; L277-Y281 PolarHBondContact O-N 3.1Å
282K98.5Very high95.2Very high17 Ų1727 Ų277%0.07414%0.14CC..EExtended strand (participates in β ladder)trans-86-33.5173.8-74.2-174.7-178172.60112.8K224 K226 M227 V309 I310 D350 Y356K224-K282 HydrophobicContact CB-CG 3.89Å; K224-K282 HydrophobicContact CD-CG 4.08Å; K226-K282 PolarHBondContact O-N 2.91Å; M227-K282 PolarHBondContact O-N 2.95Å; K282-V309 WeakPolarHBondContact O-CG1 3.12Å; K282-I310 PolarHBondContact O-N 3.1Å; K282-I310 VanDerWaalsContact O-N 3.07Å; K282-D350 HydrophobicContact CD-CB 4.39Å; K282-D350 VanDerWaalsContact CD-OD1 3.29Å; K282-D350 WeakPolarHBondContact CD-OD1 3.19Å; K282-D350 WeakPolarHBondContact CE-OD1 3.32Å; K282-D350 PolarHBondContact NZ-O 3.38Å; K282-D350 IonicContact NZ-OD1 3.49Å; K282-D350 PolarHBondContact NZ-OD1 2.93Å; K282-Y356 HydrophobicContact CB-CD2 4.49Å; K282-Y356 HydrophobicContact CB-CE2 3.61Å; K282-Y356 HydrophobicContact CD-CD2 4.41Å; K282-Y356 HydrophobicContact CD-CE2 4.15Å; K282-Y356 HydrophobicContact CG-CE2 3.83Å; K282-Y356 PolarHBondContact O-OH 2.85Å
283F98.8Very high95.3Very high0 Ų022.9 Ų22.90%013%0.128CC..EExtended strand (participates in β ladder)trans-131143.6-174.3-45.5-72.9000112M227 V228 A229 V309 I310 V312 I331 L346 L349 Y356M227-F283 HydrophobicContact CB-CD2 4.32Å; M227-F283 HydrophobicContact CE-CE2 4.42Å; M227-F283 WeakPolarHBondContact O-CD2 3.41Å; M227-F283 PolarHBondContact O-N 3.25Å; V228-F283 WeakPolarHBondContact CA-O 3.4Å; V228-F283 HydrophobicContact CG2-CB 4.22Å; V228-F283 HydrophobicContact CG2-CD2 4.15Å; A229-F283 PolarHBondContact N-O 2.76Å; F283-V309 VanDerWaalsContact C-CG1 3.43Å; F283-I310 WeakPolarHBondContact CA-O 3.39Å; F283-I310 HydrophobicContact CD1-CB 3.98Å; F283-I310 HydrophobicContact CD1-CD1 4.4Å; 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 4.12Å; F283-I331 HydrophobicContact CD1-CD1 4.27Å; F283-I331 HydrophobicContact CE1-CD1 4.23Å; F283-L346 HydrophobicContact CD1-CD2 3.69Å; F283-L346 HydrophobicContact CD2-CB 4.22Å; F283-L346 HydrophobicContact CD2-CD1 4.49Å; F283-L346 HydrophobicContact CD2-CD2 4.26Å; F283-L346 HydrophobicContact CE1-CD2 3.82Å; F283-L346 HydrophobicContact CE2-CB 3.96Å; F283-L346 HydrophobicContact CE2-CD2 4.37Å; F283-L346 WeakPolarHBondContact CE2-O 3.5Å; F283-L346 HydrophobicContact CG-CD2 3.94Å; F283-L346 HydrophobicContact CZ-CB 4.25Å; F283-L346 HydrophobicContact CZ-CD2 4.17Å; F283-L346 WeakPolarHBondContact CZ-O 3.35Å; F283-L349 HydrophobicContact CE1-CB 4.11Å; F283-L349 HydrophobicContact CE1-CD1 3.94Å; F283-L349 HydrophobicContact CZ-CB 3.78Å; F283-L349 HydrophobicContact CZ-CD1 4.4Å; F283-Y356 HydrophobicContact CE1-CD2 4.26Å; F283-Y356 HydrophobicContact CE1-CE2 4.19Å; F283-Y356 HydrophobicContact CZ-CD2 4.34Å; F283-Y356 HydrophobicContact CZ-CE2 4.42Å
284Y98.7Very high95.4Very high1 Ų123.5 Ų23.50%0.00413%0.131CC..EExtended strand (participates in β ladder)trans-126.6132.3174.8174.7-100000110.3A229 F231 F274 L277 S286 K299 N303 A304 I310 P311 V312A229-Y284 WeakPolarHBondContact O-CA 3.34Å; F231-Y284 HydrophobicContact CB-CE2 4.12Å; F231-Y284 HydrophobicContact CD2-CD2 4.28Å; F231-Y284 AromaticContact CD2-CE2 3.66Å; F231-Y284 HydrophobicContact CD2-CE2 3.66Å; F231-Y284 HydrophobicContact CG-CE2 4.24Å; F274-Y284 HydrophobicContact CE1-CE2 4.41Å; L277-Y284 HydrophobicContact CD1-CD2 3.72Å; L277-Y284 HydrophobicContact CD1-CG 4.39Å; L277-Y284 HydrophobicContact CD2-CD2 3.43Å; L277-Y284 VanDerWaalsContact CD2-CD2 3.43Å; L277-Y284 HydrophobicContact CD2-CE2 4.05Å; L277-Y284 HydrophobicContact CD2-CG 3.79Å; L277-Y284 HydrophobicContact CG-CD2 4.22Å; Y284-S286 VanDerWaalsContact CD1-OG 3.29Å; Y284-S286 WeakPolarHBondContact CD1-OG 3.36Å; Y284-S286 PolarHBondContact O-N 3.47Å; Y284-S286 VanDerWaalsContact O-N 3.16Å; Y284-K299 HydrophobicContact CE1-CB 4.42Å; Y284-K299 VanDerWaalsContact CE1-O 3.26Å; Y284-K299 WeakPolarHBondContact CE1-O 3.42Å; Y284-N303 HydrophobicContact CD1-CB 4.42Å; Y284-N303 HydrophobicContact CE1-CB 3.68Å; Y284-N303 HydrophobicContact CE2-CB 4.42Å; Y284-N303 PolarHBondContact OH-ND2 3.42Å; Y284-A304 HydrophobicContact CD1-CB 3.86Å; Y284-A304 HydrophobicContact CG-CB 4.45Å; Y284-I310 PolarHBondContact N-O 3.24Å; Y284-P311 CarbonylContact O-C 3.56Å; Y284-P311 WeakPolarHBondContact O-CA 3.32Å; Y284-V312 PolarHBondContact O-N 3.12Å
285L98.8Very high95.8Very high0 Ų023.3 Ų23.30%013%0.13CC..EExtended strand (participates in β ladder)trans-80.297176.5-56.3-169.5000110.7V228 A229 W230 V245 L248 I254 F287 V312V228-L285 HydrophobicContact CG1-CD1 4.2Å; V228-L285 HydrophobicContact CG1-CD2 3.57Å; V228-L285 HydrophobicContact CG1-CG 3.65Å; A229-L285 PolarHBondContact O-N 3.47Å; W230-L285 HydrophobicContact CB-CB 4Å; W230-L285 HydrophobicContact CB-CD1 3.97Å; W230-L285 HydrophobicContact CB-CG 4.14Å; W230-L285 VanDerWaalsContact CD1-O 3.23Å; W230-L285 HydrophobicContact CD2-CD1 4.41Å; W230-L285 HydrophobicContact CG-CB 3.84Å; W230-L285 HydrophobicContact CG-CD1 4.07Å; W230-L285 HydrophobicContact CG-CG 4.37Å; V245-L285 HydrophobicContact CG1-CD1 4.44Å; V245-L285 HydrophobicContact CG2-CD1 3.63Å; L248-L285 HydrophobicContact CD2-CD1 4.4Å; L248-L285 HydrophobicContact CD2-CD2 4.3Å; I254-L285 HydrophobicContact CD1-CD1 4.27Å; I254-L285 HydrophobicContact CG2-CD1 4.15Å; L285-F287 HydrophobicContact CB-CD1 4.07Å; L285-F287 HydrophobicContact CB-CD2 4.34Å; L285-F287 HydrophobicContact CB-CE1 4.16Å; L285-F287 HydrophobicContact CB-CE2 4.44Å; L285-F287 HydrophobicContact CB-CG 4.18Å; L285-F287 HydrophobicContact CB-CZ 4.35Å; L285-F287 HydrophobicContact CD1-CD2 4.39Å; L285-F287 HydrophobicContact CD1-CE2 3.97Å; L285-F287 HydrophobicContact CD1-CZ 4.19Å; L285-F287 HydrophobicContact CD2-CE1 4.16Å; L285-F287 HydrophobicContact CD2-CZ 4Å; L285-F287 HydrophobicContact CG-CZ 4.42Å; L285-F287 PolarHBondContact O-N 3.24Å; L285-V312 HydrophobicContact CD2-CB 3.72Å; L285-V312 HydrophobicContact CD2-CG1 4.01Å; L285-V312 HydrophobicContact CD2-CG2 4.18Å
286S98.5Very high96.1Very high1 Ų121.1 Ų21.11%0.00711%0.113CC..EExtended strand (participates in β ladder)trans-81.358.5174.3-56.60000111Y284 K299 P311 V312Y284-S286 VanDerWaalsContact CD1-OG 3.29Å; Y284-S286 WeakPolarHBondContact CD1-OG 3.36Å; Y284-S286 PolarHBondContact O-N 3.47Å; Y284-S286 VanDerWaalsContact O-N 3.16Å; S286-K299 WeakPolarHBondContact CB-O 3.42Å; S286-K299 PolarHBondContact OG-O 3.47Å; S286-P311 WeakPolarHBondContact OG-CB 3.4Å; S286-V312 PolarHBondContact N-O 3.25Å
287F98.6Very high96.4Very high0 Ų017.7 Ų17.70%010%0.095CC..EExtended strand (participates in β ladder)trans-91.4114.3-173.5-70.64.1000112.2R241 Y244 V245 L285 V312 M314 V333R241-F287 HydrophobicContact CB-CB 3.89Å; R241-F287 HydrophobicContact CB-CD2 3.9Å; R241-F287 HydrophobicContact CB-CG 4.33Å; R241-F287 PolarHBondContact NH1-O 2.83Å; Y244-F287 AromaticContact CD1-CE2 3.79Å; Y244-F287 HydrophobicContact CD1-CE2 3.79Å; Y244-F287 AromaticContact CD1-CZ 3.91Å; Y244-F287 HydrophobicContact CD1-CZ 3.91Å; Y244-F287 HydrophobicContact CE1-CE2 4.43Å; Y244-F287 HydrophobicContact CE1-CZ 4.09Å; Y244-F287 HydrophobicContact CG-CE2 4.49Å; 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 4.07Å; L285-F287 HydrophobicContact CB-CD2 4.34Å; L285-F287 HydrophobicContact CB-CE1 4.16Å; L285-F287 HydrophobicContact CB-CE2 4.44Å; L285-F287 HydrophobicContact CB-CG 4.18Å; L285-F287 HydrophobicContact CB-CZ 4.35Å; L285-F287 HydrophobicContact CD1-CD2 4.39Å; L285-F287 HydrophobicContact CD1-CE2 3.97Å; L285-F287 HydrophobicContact CD1-CZ 4.19Å; L285-F287 HydrophobicContact CD2-CE1 4.16Å; L285-F287 HydrophobicContact CD2-CZ 4Å; L285-F287 HydrophobicContact CG-CZ 4.42Å; L285-F287 PolarHBondContact O-N 3.24Å; F287-V312 WeakPolarHBondContact CD1-O 3.47Å; F287-V312 HydrophobicContact CE1-CG1 4.09Å; F287-V312 VanDerWaalsContact CE1-O 3.25Å; F287-V312 WeakPolarHBondContact CE1-O 3.34Å; F287-V312 HydrophobicContact CZ-CG1 4.48Å; F287-M314 HydrophobicContact CB-CB 4.27Å; F287-M314 HydrophobicContact CD1-CB 3.41Å; F287-M314 VanDerWaalsContact CD1-CB 3.41Å; F287-M314 HydrophobicContact CD2-CB 4.4Å; F287-M314 HydrophobicContact CD2-CE 4.48Å; F287-M314 HydrophobicContact CD2-SD 4.47Å; F287-M314 HydrophobicContact CE1-CB 3.72Å; F287-M314 HydrophobicContact CE2-CE 4.19Å; F287-M314 HydrophobicContact CG-CB 3.78Å; F287-M314 HydrophobicContact CZ-CB 4.34Å; F287-M314 HydrophobicContact CZ-CE 4.37Å; F287-V333 HydrophobicContact CE1-CG1 3.87Å; F287-V333 HydrophobicContact CZ-CG1 3.88Å
288E98.1Very high96.6Very high5 Ų520 Ų202%0.02311%0.106CC..  trans-72.2154.6-175.5-69.5-61.8172.800114.2S239 S290 Y295 T297 K299 M314S239-E288 WeakPolarHBondContact CB-O 3.21Å; S239-E288 PolarHBondContact OG-O 2.83Å; E288-S290 PolarHBondContact O-N 3.24Å; E288-Y295 HydrophobicContact CB-CD1 4.23Å; E288-Y295 HydrophobicContact CB-CE1 4.28Å; E288-Y295 HydrophobicContact CG-CD1 4.28Å; E288-Y295 HydrophobicContact CG-CE1 4.48Å; E288-T297 VanDerWaalsContact OE1-CB 3.31Å; E288-T297 WeakPolarHBondContact OE1-CB 3.4Å; E288-T297 WeakPolarHBondContact OE1-CG2 3.45Å; E288-T297 PolarHBondContact OE1-N 3.02Å; E288-T297 PolarHBondContact OE1-OG1 2.79Å; E288-T297 WeakPolarHBondContact OE2-CG2 3.49Å; E288-T297 PolarHBondContact OE2-OG1 3.46Å; E288-K299 IonicContact OE2-NZ 3.24Å; E288-K299 PolarHBondContact OE2-NZ 3.46Å; E288-M314 PolarHBondContact N-O 3.45Å
289N97.3Very high96.8Very high27 Ų2720 Ų2014%0.14410%0.101CC..SBendtrans-65.2-29.6179.1-69.2-38.7000112.7K238 S239 R241K238-N289 PolarHBondContact N-O 2.77Å; S239-N289 PolarHBondContact N-O 3.17Å; S239-N289 PolarHBondContact OG-O 3.44Å; R241-N289 PolarHBondContact NH1-OD1 2.96Å; R241-N289 PolarHBondContact NH2-OD1 3.21Å
290S97.3Very high96.9Very high1 Ų113.7 Ų13.71%0.0077%0.073CC..SBendtrans-142.7147.8-176-62.20000109.8E288 C292E288-S290 PolarHBondContact O-N 3.24Å; S290-C292 WeakPolarHBondContact CB-SG 3.3Å; S290-C292 PolarHBondContact O-N 2.88Å
291L97.1Very high96.8Very high21 Ų2111.1 Ų11.111%0.116%0.061CC..  trans-91.694.4174.8-55.7-174.8000108.9P240 M314 C405 R408 I410P240-L291 HydrophobicContact CG-CD1 4.26Å; L291-M314 HydrophobicContact CD2-CG 3.97Å; L291-C405 WeakPolarHBondContact O-CB 3.44Å; L291-R408 HydrophobicContact CB-CB 4.23Å; L291-R408 HydrophobicContact CB-CG 3.6Å; L291-I410 HydrophobicContact CD1-CG2 4.06Å; L291-I410 HydrophobicContact CD2-CG2 4.41Å
292C96.5Very high96.6Very high1 Ų114.9 Ų14.91%0.0078%0.076CC..  trans-131156.5-175-49.50000112S290 D294 C405S290-C292 WeakPolarHBondContact CB-SG 3.3Å; S290-C292 PolarHBondContact O-N 2.88Å; C292-D294 PolarHBondContact O-N 2.85Å; C292-C405 HydrophobicContact CB-CB 3.91Å; C292-C405 WeakPolarHBondContact CB-SG 3.48Å; C292-C405 WeakPolarHBondContact SG-CB 3.33Å; C292-C405 CovalentContact SG-SG 2.03Å; C292-C405 PolarHBondContact SG-SG 3.27Å
293A92.2Very high96.4Very high42 Ų4214.4 Ų14.435%0.3477%0.074SC..THydrogen-bonded Turntrans-58.7134.5171.800000109.6Y187 Y295 G404Y187-A293 WeakPolarHBondContact CE2-O 3.33Å; A293-Y295 PolarHBondContact O-N 2.82Å; A293-G404 PolarHBondContact N-O 3.5Å
294D94Very high96.2Very high24 Ų2414.4 Ų14.413%0.1287%0.074CC..THydrogen-bonded Turntrans570.5175.6-50.7-26.9000117.1Y187 M189 C292 I296 R323Y187-D294 HydrophobicContact CD2-CB 4.29Å; Y187-D294 WeakPolarHBondContact CD2-O 3.35Å; M189-D294 WeakPolarHBondContact CE-OD1 3.36Å; M189-D294 WeakPolarHBondContact CE-OD2 3.5Å; M189-D294 PolarHBondContact N-OD2 3.37Å; C292-D294 PolarHBondContact O-N 2.85Å; D294-I296 PolarHBondContact O-N 2.84Å; D294-I296 VanDerWaalsContact O-N 3.08Å; D294-R323 IonicContact OD1-CZ 3.51Å; D294-R323 IonicContact OD1-NH2 3.32Å; D294-R323 PolarHBondContact OD1-NH2 3.41Å
295Y97Very high96.1Very high1 Ų114.7 Ų14.70%0.0048%0.075CC..  trans-76.8100.9-179.4-173.9-117000110.6E166 A167 Y187 Y197 E288 A293 T297E166-Y295 PolarHBondContact OE2-OH 2.73Å; A167-Y295 HydrophobicContact CB-CD1 4.07Å; A167-Y295 HydrophobicContact CB-CD2 4.26Å; A167-Y295 HydrophobicContact CB-CE1 3.93Å; A167-Y295 HydrophobicContact CB-CE2 4.1Å; A167-Y295 HydrophobicContact CB-CG 4.22Å; Y187-Y295 AromaticContact CD1-CD2 3.78Å; Y187-Y295 HydrophobicContact CD1-CD2 3.78Å; Y187-Y295 HydrophobicContact CD1-CE2 4.34Å; Y187-Y295 HydrophobicContact CD2-CD2 4.27Å; Y187-Y295 AromaticContact CE1-CD2 3.37Å; Y187-Y295 HydrophobicContact CE1-CD2 3.37Å; Y187-Y295 AromaticContact CE1-CE2 3.99Å; Y187-Y295 HydrophobicContact CE1-CE2 3.99Å; Y187-Y295 HydrophobicContact CE1-CG 4.31Å; Y187-Y295 VanDerWaalsContact CE2-CA 3.49Å; Y187-Y295 AromaticContact CE2-CD2 3.97Å; Y187-Y295 HydrophobicContact CE2-CD2 3.97Å; Y187-Y295 HydrophobicContact CE2-CG 4.25Å; Y187-Y295 HydrophobicContact CG-CD2 4.21Å; Y187-Y295 AromaticContact CZ-CD2 3.48Å; Y187-Y295 VanDerWaalsContact CZ-CD2 3.48Å; Y187-Y295 AromaticContact CZ-CG 3.98Å; Y197-Y295 HydrophobicContact CE2-CE2 4.19Å; E288-Y295 HydrophobicContact CB-CD1 4.23Å; E288-Y295 HydrophobicContact CB-CE1 4.28Å; E288-Y295 HydrophobicContact CG-CD1 4.28Å; E288-Y295 HydrophobicContact CG-CE1 4.48Å; A293-Y295 PolarHBondContact O-N 2.82Å; Y295-T297 HydrophobicContact CD1-CG2 4.42Å; Y295-T297 HydrophobicContact CD2-CG2 4.17Å; Y295-T297 HydrophobicContact CE1-CG2 3.86Å; Y295-T297 HydrophobicContact CE2-CG2 3.61Å; Y295-T297 VanDerWaalsContact CZ-CG2 3.44Å
296I95.4Very high95.9Very high17 Ų1717 Ų179%0.08710%0.098CC..  trans-135.9126.3178.3-58.7165000107.1D294 L300 F301 V316 V324D294-I296 PolarHBondContact O-N 2.84Å; D294-I296 VanDerWaalsContact O-N 3.08Å; I296-L300 HydrophobicContact CG2-CB 3.71Å; I296-L300 HydrophobicContact CG2-CD2 3.45Å; I296-L300 VanDerWaalsContact CG2-CD2 3.45Å; I296-L300 HydrophobicContact CG2-CG 4.19Å; I296-F301 HydrophobicContact CG2-CD2 4.1Å; I296-F301 HydrophobicContact CG2-CE2 3.64Å; I296-V316 HydrophobicContact CD1-CG1 3.81Å; I296-V316 HydrophobicContact CG1-CB 4.29Å; I296-V316 HydrophobicContact CG1-CG1 3.67Å; I296-V324 HydrophobicContact CD1-CG2 3.25Å
297T95.3Very high95.7Very high0 Ų019 Ų190%011%0.108CC..  trans-116-167.9-168.268.80000112.8Y197 E288 Y295 K299 L300Y197-T297 HydrophobicContact CD2-CG2 4.09Å; Y197-T297 HydrophobicContact CE1-CG2 4.41Å; Y197-T297 HydrophobicContact CE2-CG2 3.82Å; E288-T297 VanDerWaalsContact OE1-CB 3.31Å; E288-T297 WeakPolarHBondContact OE1-CB 3.4Å; E288-T297 WeakPolarHBondContact OE1-CG2 3.45Å; E288-T297 PolarHBondContact OE1-N 3.02Å; E288-T297 PolarHBondContact OE1-OG1 2.79Å; E288-T297 WeakPolarHBondContact OE2-CG2 3.49Å; E288-T297 PolarHBondContact OE2-OG1 3.46Å; Y295-T297 HydrophobicContact CD1-CG2 4.42Å; Y295-T297 HydrophobicContact CD2-CG2 4.17Å; Y295-T297 HydrophobicContact CE1-CG2 3.86Å; Y295-T297 HydrophobicContact CE2-CG2 3.61Å; Y295-T297 VanDerWaalsContact CZ-CG2 3.44Å; T297-K299 PolarHBondContact O-N 2.68Å; T297-K299 PolarHBondContact OG1-N 3.37Å; T297-K299 PolarHBondContact OG1-NZ 2.95Å; T297-L300 PolarHBondContact O-N 3.22Å
298E94.4Very high95.6Very high50 Ų5021.2 Ų21.223%0.23412%0.119CC..THydrogen-bonded Turntrans-54.2-23173.477.4-68.1154.200113.1L300 F301 R302 N303E298-L300 VanDerWaalsContact C-N 3.32Å; E298-L300 PolarHBondContact O-N 2.83Å; E298-F301 PolarHBondContact O-N 3.34Å; E298-R302 HydrophobicContact CB-CB 4.03Å; E298-R302 PolarHBondContact O-N 3.24Å; E298-N303 PolarHBondContact O-N 2.72Å
299K96.3Very high95.6Very high19 Ų1921 Ų218%0.08312%0.119CC..THydrogen-bonded Turntrans-61.2-37.5179.6-67.4170.1-155.762.30113Y284 S286 E288 T297Y284-K299 HydrophobicContact CE1-CB 4.42Å; Y284-K299 VanDerWaalsContact CE1-O 3.26Å; Y284-K299 WeakPolarHBondContact CE1-O 3.42Å; S286-K299 WeakPolarHBondContact CB-O 3.42Å; S286-K299 PolarHBondContact OG-O 3.47Å; E288-K299 IonicContact OE2-NZ 3.24Å; E288-K299 PolarHBondContact OE2-NZ 3.46Å; T297-K299 PolarHBondContact O-N 2.68Å; T297-K299 PolarHBondContact OG1-N 3.37Å; T297-K299 PolarHBondContact OG1-NZ 2.95Å
300L97Very high95.6Very high2 Ų219.8 Ų19.81%0.0111%0.112CC..THydrogen-bonded Turntrans-79.4-45.7177.4-179.562.5000110.7I296 T297 E298 A304 F305 P311 V313 A325I296-L300 HydrophobicContact CG2-CB 3.71Å; I296-L300 HydrophobicContact CG2-CD2 3.45Å; I296-L300 VanDerWaalsContact CG2-CD2 3.45Å; I296-L300 HydrophobicContact CG2-CG 4.19Å; T297-L300 PolarHBondContact O-N 3.22Å; E298-L300 VanDerWaalsContact C-N 3.32Å; E298-L300 PolarHBondContact O-N 2.83Å; L300-A304 WeakPolarHBondContact O-CB 3.36Å; L300-F305 HydrophobicContact CD1-CE2 3.88Å; L300-F305 HydrophobicContact CD1-CZ 3.82Å; L300-F305 HydrophobicContact CD2-CE2 4.17Å; L300-F305 HydrophobicContact CG-CD2 4.31Å; L300-F305 HydrophobicContact CG-CE2 3.66Å; L300-F305 HydrophobicContact CG-CZ 4.13Å; L300-F305 WeakPolarHBondContact O-CD2 3.21Å; L300-F305 PolarHBondContact O-N 2.8Å; L300-P311 HydrophobicContact CD1-CB 3.53Å; L300-P311 HydrophobicContact CD1-CG 3.51Å; L300-V313 HydrophobicContact CD1-CG2 3.66Å; L300-A325 HydrophobicContact CD2-CB 4.28Å
301F94.7Very high95.7Very high3 Ų319.8 Ų19.81%0.01311%0.112CC..THydrogen-bonded Turntrans-90.3-79.6-170.1-67.4-89.9000112.3H198 I296 E298 N303 A304 F305 G306 V324 I368H198-F301 HydrophobicContact CB-CB 3.42Å; H198-F301 VanDerWaalsContact CB-CB 3.42Å; H198-F301 HydrophobicContact CB-CD1 3.74Å; H198-F301 HydrophobicContact CB-CD2 3.48Å; H198-F301 VanDerWaalsContact CB-CD2 3.48Å; H198-F301 HydrophobicContact CB-CE1 4.33Å; H198-F301 HydrophobicContact CB-CE2 4.07Å; H198-F301 HydrophobicContact CB-CG 3.28Å; H198-F301 HydrophobicContact CB-CZ 4.46Å; H198-F301 AromaticContact CG-CG 3.84Å; I296-F301 HydrophobicContact CG2-CD2 4.1Å; I296-F301 HydrophobicContact CG2-CE2 3.64Å; E298-F301 PolarHBondContact O-N 3.34Å; F301-N303 VanDerWaalsContact C-N 3.33Å; F301-N303 PolarHBondContact O-N 3.27Å; F301-A304 PolarHBondContact O-N 2.96Å; F301-F305 AromaticContact CD1-CD2 3.81Å; F301-F305 HydrophobicContact CD1-CD2 3.81Å; F301-F305 HydrophobicContact CD1-CE2 4.21Å; F301-F305 HydrophobicContact CE1-CD2 4.3Å; F301-F305 HydrophobicContact CE1-CE2 4.29Å; F301-F305 HydrophobicContact CG-CD2 4.28Å; F301-F305 PolarHBondContact O-N 3.22Å; F301-G306 PolarHBondContact O-N 2.86Å; F301-V324 HydrophobicContact CZ-CG2 4.2Å; F301-I368 HydrophobicContact CB-CG2 4.41Å; F301-I368 HydrophobicContact CD1-CD1 4.18Å; F301-I368 HydrophobicContact CD1-CG1 4.36Å; F301-I368 HydrophobicContact CD1-CG2 3.92Å
302R93.2Very high95.8Very high81 Ų8118.8 Ų18.831%0.30611%0.107SC..THydrogen-bonded Turntrans-50.7-49.3-179179.6-174.9169-136.9-1.5112.8E270 D271 E298E270-R302 IonicContact OE2-CZ 3.76Å; E270-R302 IonicContact OE2-NH1 2.84Å; E270-R302 PolarHBondContact OE2-NH1 2.93Å; E270-R302 IonicContact OE2-NH2 3.37Å; E270-R302 PolarHBondContact OE2-NH2 3.46Å; D271-R302 IonicContact OD1-CZ 2.68Å; D271-R302 IonicContact OD1-NH2 3.77Å; D271-R302 PolarHBondContact OD1-NH2 2.92Å; E298-R302 HydrophobicContact CB-CB 4.03Å; E298-R302 PolarHBondContact O-N 3.24Å
303N94.2Very high95.9Very high7 Ų719 Ų194%0.03711%0.108CC..THydrogen-bonded Turntrans-79.2-36.1-169.9-59.4-3.2000112.4F274 L277 Y284 E298 F301 Q307F274-N303 HydrophobicContact CD1-CB 4.26Å; F274-N303 HydrophobicContact CE1-CB 3.81Å; F274-N303 HydrophobicContact CZ-CB 4.23Å; F274-N303 VanDerWaalsContact CZ-CG 3.43Å; F274-N303 WeakPolarHBondContact CZ-ND2 3.37Å; F274-N303 WeakPolarHBondContact CZ-OD1 3.49Å; L277-N303 WeakPolarHBondContact CD2-O 3.44Å; Y284-N303 HydrophobicContact CD1-CB 4.42Å; Y284-N303 HydrophobicContact CE1-CB 3.68Å; Y284-N303 HydrophobicContact CE2-CB 4.42Å; Y284-N303 PolarHBondContact OH-ND2 3.42Å; E298-N303 PolarHBondContact O-N 2.72Å; F301-N303 VanDerWaalsContact C-N 3.33Å; F301-N303 PolarHBondContact O-N 3.27Å; N303-Q307 WeakPolarHBondContact O-CB 3.3Å; N303-Q307 WeakPolarHBondContact O-CG 3.48Å
304A96.6Very high96.2Very high0 Ų017 Ų170%09%0.092CC..THydrogen-bonded Turntrans-101.6-66-177.600000112.2Y284 L300 F301 G306 Q307 N308 V309 P311Y284-A304 HydrophobicContact CD1-CB 3.86Å; Y284-A304 HydrophobicContact CG-CB 4.45Å; L300-A304 WeakPolarHBondContact O-CB 3.36Å; F301-A304 PolarHBondContact O-N 2.96Å; A304-G306 PolarHBondContact O-N 2.97Å; A304-Q307 CarbonylContact O-C 3.56Å; A304-Q307 PolarHBondContact O-N 3.32Å; A304-N308 PolarHBondContact O-N 2.87Å; A304-V309 CarbonylContact C-O 3.52Å; A304-V309 PolarHBondContact O-N 3.21Å; A304-V309 VanDerWaalsContact O-N 3.16Å; A304-P311 HydrophobicContact CB-CB 3.61Å; A304-P311 HydrophobicContact CB-CG 4.15Å
305F95.9Very high96.3Very high7 Ų715.9 Ų15.93%0.0319%0.086CC..G310 helixtrans-61.2-44.1-178.6-62.9-38.2000112.5L300 F301 Q307 N308 P311 A325 P326 S329 W362 I368L300-F305 HydrophobicContact CD1-CE2 3.88Å; L300-F305 HydrophobicContact CD1-CZ 3.82Å; L300-F305 HydrophobicContact CD2-CE2 4.17Å; L300-F305 HydrophobicContact CG-CD2 4.31Å; L300-F305 HydrophobicContact CG-CE2 3.66Å; L300-F305 HydrophobicContact CG-CZ 4.13Å; L300-F305 WeakPolarHBondContact O-CD2 3.21Å; L300-F305 PolarHBondContact O-N 2.8Å; F301-F305 AromaticContact CD1-CD2 3.81Å; F301-F305 HydrophobicContact CD1-CD2 3.81Å; F301-F305 HydrophobicContact CD1-CE2 4.21Å; F301-F305 HydrophobicContact CE1-CD2 4.3Å; F301-F305 HydrophobicContact CE1-CE2 4.29Å; F301-F305 HydrophobicContact CG-CD2 4.28Å; F301-F305 PolarHBondContact O-N 3.22Å; F305-Q307 PolarHBondContact O-N 3.37Å; F305-Q307 VanDerWaalsContact O-N 3.11Å; F305-N308 PolarHBondContact O-N 3.15Å; F305-P311 HydrophobicContact CD1-CG 4.05Å; F305-P311 HydrophobicContact CE1-CG 3.41Å; F305-P311 VanDerWaalsContact CE1-CG 3.41Å; F305-P311 HydrophobicContact CZ-CG 3.82Å; F305-A325 HydrophobicContact CE2-CB 4.31Å; F305-A325 HydrophobicContact CZ-CB 4.24Å; F305-P326 HydrophobicContact CE2-CG 4.24Å; F305-P326 HydrophobicContact CZ-CG 4.33Å; F305-S329 VanDerWaalsContact CZ-OG 3.25Å; F305-S329 WeakPolarHBondContact CZ-OG 3.48Å; F305-W362 HydrophobicContact CB-CH2 4.13Å; F305-W362 HydrophobicContact CB-CZ2 3.99Å; F305-W362 AromaticContact CD1-CZ2 3.75Å; F305-W362 HydrophobicContact CD1-CZ2 3.75Å; F305-W362 HydrophobicContact CE1-CZ2 4.41Å; F305-W362 HydrophobicContact CG-CH2 4.42Å; F305-W362 AromaticContact CG-CZ2 3.95Å; F305-W362 HydrophobicContact CG-CZ2 3.95Å; F305-I368 HydrophobicContact CB-CD1 3.2Å; F305-I368 HydrophobicContact CD2-CD1 3.64Å; F305-I368 HydrophobicContact CG-CD1 3.73Å
306G93.5Very high96.3Very high47 Ų4716.1 Ų16.149%0.4859%0.087SC..G310 helixtrans-60.6-20.3176.300000113.8F301 A304F301-G306 PolarHBondContact O-N 2.86Å; A304-G306 PolarHBondContact O-N 2.97Å
307Q95.3Very high96.3Very high45 Ų4517.5 Ų17.521%0.2110%0.098CC..G310 helixtrans-104.36.3177.8-54.7-52-44.800113.4F274 L277 G278 N303 A304 F305 V309F274-Q307 HydrophobicContact CB-CG 4.18Å; F274-Q307 PolarHBondContact O-OE1 2.69Å; F274-Q307 VanDerWaalsContact O-OE1 3.13Å; L277-Q307 HydrophobicContact CD2-CB 4.24Å; L277-Q307 HydrophobicContact CD2-CG 4.34Å; G278-Q307 WeakPolarHBondContact CA-O 3.1Å; N303-Q307 WeakPolarHBondContact O-CB 3.3Å; N303-Q307 WeakPolarHBondContact O-CG 3.48Å; A304-Q307 CarbonylContact O-C 3.56Å; A304-Q307 PolarHBondContact O-N 3.32Å; F305-Q307 PolarHBondContact O-N 3.37Å; F305-Q307 VanDerWaalsContact O-N 3.11Å; Q307-V309 HydrophobicContact CB-CG2 4.2Å; Q307-V309 WeakPolarHBondContact O-CG2 3.23Å
308N95.7Very high96.3Very high45 Ų4519.4 Ų19.424%0.24111%0.108CC..THydrogen-bonded Turntrans55.950.9-177.2-52.1-61.7000112.9Y220 K224 A304 F305 F360 H363Y220-N308 HydrophobicContact CD1-CB 3.94Å; Y220-N308 HydrophobicContact CE1-CB 4.12Å; K224-N308 WeakPolarHBondContact CE-O 3.33Å; K224-N308 PolarHBondContact NZ-O 3.23Å; A304-N308 PolarHBondContact O-N 2.87Å; F305-N308 PolarHBondContact O-N 3.15Å; N308-F360 VanDerWaalsContact C-CE1 3.46Å; N308-F360 HydrophobicContact CB-CE1 4.42Å; N308-H363 PolarHBondContact OD1-NE2 3.4Å
309V97.7Very high96.3Very high1 Ų122 Ų221%0.00612%0.12CC..  trans-132.1142.1-178.91780000108.2L277 K282 F283 A304 Q307 P311L277-V309 HydrophobicContact CD2-CG2 4.36Å; L277-V309 HydrophobicContact CG-CG1 4.47Å; L277-V309 HydrophobicContact CG-CG2 3.92Å; K282-V309 WeakPolarHBondContact O-CG1 3.12Å; F283-V309 VanDerWaalsContact C-CG1 3.43Å; A304-V309 CarbonylContact C-O 3.52Å; A304-V309 PolarHBondContact O-N 3.21Å; A304-V309 VanDerWaalsContact O-N 3.16Å; Q307-V309 HydrophobicContact CB-CG2 4.2Å; Q307-V309 WeakPolarHBondContact O-CG2 3.23Å; V309-P311 VanDerWaalsContact O-CD 3.23Å; V309-P311 WeakPolarHBondContact O-CD 3.48Å
310I98.6Very high96.2Very high2 Ų221.1 Ų21.11%0.0112%0.116CC..EExtended strand (participates in β ladder)trans-73118.9-179.7-56.7177.9000109K282 F283 Y284 I331 Y356 Y359 F360K282-I310 PolarHBondContact O-N 3.1Å; K282-I310 VanDerWaalsContact O-N 3.07Å; F283-I310 WeakPolarHBondContact CA-O 3.39Å; F283-I310 HydrophobicContact CD1-CB 3.98Å; F283-I310 HydrophobicContact CD1-CD1 4.4Å; 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 3.24Å; I310-I331 HydrophobicContact CG2-CD1 3.72Å; I310-I331 HydrophobicContact CG2-CG1 3.8Å; I310-Y356 HydrophobicContact CD1-CD2 3.45Å; I310-Y356 VanDerWaalsContact CD1-CD2 3.45Å; I310-Y356 HydrophobicContact CD1-CE2 3.36Å; I310-Y356 HydrophobicContact CD1-CG 4.2Å; I310-Y356 HydrophobicContact CG1-CD2 4.46Å; I310-Y356 HydrophobicContact CG1-CE2 3.89Å; I310-Y359 HydrophobicContact CD1-CD1 4.46Å; I310-Y359 HydrophobicContact CD1-CD2 3.83Å; I310-Y359 HydrophobicContact CD1-CG 3.71Å; I310-Y359 HydrophobicContact CG1-CG 4.26Å; I310-Y359 HydrophobicContact CG2-CD1 3.93Å; I310-Y359 HydrophobicContact CG2-CE1 4.42Å; I310-Y359 HydrophobicContact CG2-CG 4.21Å; I310-F360 HydrophobicContact CD1-CE2 3.88Å; I310-F360 HydrophobicContact CD1-CZ 4.46Å; I310-F360 HydrophobicContact CG1-CD2 4.47Å; I310-F360 HydrophobicContact CG1-CE2 3.43Å; I310-F360 VanDerWaalsContact CG1-CE2 3.43Å; I310-F360 HydrophobicContact CG1-CZ 3.53Å
311P98.7Very high96Very high0 Ų021 Ų210%012%0.116CC..EExtended strand (participates in β ladder)trans-72.1132.2173.826.5-30.5000111.3Y284 S286 L300 A304 F305 V309 V313 S329 F330 I331Y284-P311 CarbonylContact O-C 3.56Å; Y284-P311 WeakPolarHBondContact O-CA 3.32Å; S286-P311 WeakPolarHBondContact OG-CB 3.4Å; L300-P311 HydrophobicContact CD1-CB 3.53Å; L300-P311 HydrophobicContact CD1-CG 3.51Å; A304-P311 HydrophobicContact CB-CB 3.61Å; A304-P311 HydrophobicContact CB-CG 4.15Å; F305-P311 HydrophobicContact CD1-CG 4.05Å; F305-P311 HydrophobicContact CE1-CG 3.41Å; F305-P311 VanDerWaalsContact CE1-CG 3.41Å; F305-P311 HydrophobicContact CZ-CG 3.82Å; V309-P311 VanDerWaalsContact O-CD 3.23Å; V309-P311 WeakPolarHBondContact O-CD 3.48Å; P311-V313 HydrophobicContact CB-CG2 4.06Å; P311-S329 WeakPolarHBondContact CD-O 3.38Å; P311-F330 HydrophobicContact CG-CB 3.75Å; P311-I331 PolarHBondContact O-N 2.81Å
312V98.9Very high96Very high0 Ų024 Ų240%013%0.129CC..EExtended strand (participates in β ladder)trans-100.7109.8165-174.80000107.4F283 Y284 L285 S286 F287 I331 V333 L342 L346F283-V312 HydrophobicContact CB-CG2 4.12Å; Y284-V312 PolarHBondContact O-N 3.12Å; L285-V312 HydrophobicContact CD2-CB 3.72Å; L285-V312 HydrophobicContact CD2-CG1 4.01Å; L285-V312 HydrophobicContact CD2-CG2 4.18Å; S286-V312 PolarHBondContact N-O 3.25Å; F287-V312 WeakPolarHBondContact CD1-O 3.47Å; F287-V312 HydrophobicContact CE1-CG1 4.09Å; F287-V312 VanDerWaalsContact CE1-O 3.25Å; F287-V312 WeakPolarHBondContact CE1-O 3.34Å; F287-V312 HydrophobicContact CZ-CG1 4.48Å; V312-I331 CarbonylContact C-O 3.58Å; V312-I331 VanDerWaalsContact CA-O 3.27Å; V312-I331 WeakPolarHBondContact CA-O 3.46Å; V312-I331 HydrophobicContact CG2-CB 4.42Å; V312-V333 HydrophobicContact CG1-CG1 4.47Å; V312-L342 HydrophobicContact CG1-CD1 4.09Å; V312-L342 HydrophobicContact CG1-CD2 3.88Å; V312-L346 HydrophobicContact CG2-CD1 4.34Å; V312-L346 HydrophobicContact CG2-CD2 4.05Å
313V98.8Very high95.9Very high7 Ų725.1 Ų25.14%0.04213%0.133CC..EExtended strand (participates in β ladder)trans-100.8132.7-164.6-174.30000111.5L300 P311 F330 I331 V333L300-V313 HydrophobicContact CD1-CG2 3.66Å; P311-V313 HydrophobicContact CB-CG2 4.06Å; V313-F330 HydrophobicContact CG2-CB 4.03Å; V313-F330 HydrophobicContact CG2-CD2 4.25Å; V313-F330 HydrophobicContact CG2-CG 4.42Å; V313-I331 PolarHBondContact N-O 3.23Å; V313-V333 WeakPolarHBondContact O-CG1 3.43Å; V313-V333 PolarHBondContact O-N 2.63Å
314M98.5Very high95.7Very high0 Ų026.1 Ų26.10%014%0.139CC..EExtended strand (participates in β ladder)trans-132.7120.2163.3175.3-174.7-6700108P240 R241 Y244 F287 E288 L291 V333 I410P240-M314 HydrophobicContact CG-SD 4.16Å; R241-M314 HydrophobicContact CB-SD 3.96Å; Y244-M314 VanDerWaalsContact CB-CE 3.47Å; Y244-M314 HydrophobicContact CD1-CE 3.81Å; Y244-M314 HydrophobicContact CD2-CE 3.32Å; Y244-M314 HydrophobicContact CE1-CE 4.39Å; Y244-M314 HydrophobicContact CE2-CE 3.97Å; Y244-M314 HydrophobicContact CG-CE 3.24Å; F287-M314 HydrophobicContact CB-CB 4.27Å; F287-M314 HydrophobicContact CD1-CB 3.41Å; F287-M314 VanDerWaalsContact CD1-CB 3.41Å; F287-M314 HydrophobicContact CD2-CB 4.4Å; F287-M314 HydrophobicContact CD2-CE 4.48Å; F287-M314 HydrophobicContact CD2-SD 4.47Å; F287-M314 HydrophobicContact CE1-CB 3.72Å; F287-M314 HydrophobicContact CE2-CE 4.19Å; F287-M314 HydrophobicContact CG-CB 3.78Å; F287-M314 HydrophobicContact CZ-CB 4.34Å; F287-M314 HydrophobicContact CZ-CE 4.37Å; E288-M314 PolarHBondContact N-O 3.45Å; L291-M314 HydrophobicContact CD2-CG 3.97Å; M314-V333 HydrophobicContact CB-CG1 4.15Å; M314-V333 HydrophobicContact CB-CG2 3.98Å; M314-V333 HydrophobicContact CE-CG1 4.18Å; M314-V333 HydrophobicContact CE-CG2 4.19Å; M314-V333 HydrophobicContact CG-CG2 4.18Å; M314-I410 HydrophobicContact CE-CD1 3.98Å; M314-I410 HydrophobicContact CG-CG2 4.06Å
315G97Very high95.6Very high0 Ų026.3 Ų26.30%014%0.141CC..SBendtrans170.6-110.3-178.300000110.4R408G315-R408 PolarHBondContact O-NE 2.68Å; G315-R408 PolarHBondContact O-NH2 3.42Å
316V95.7Very high95.6Very high5 Ų526 Ų263%0.0314%0.14CC..SBendtrans-58.2170.1169.174.30000111.7I296 C321 H332 R408I296-V316 HydrophobicContact CD1-CG1 3.81Å; I296-V316 HydrophobicContact CG1-CB 4.29Å; I296-V316 HydrophobicContact CG1-CG1 3.67Å; V316-C321 HydrophobicContact CG1-CB 4.45Å; V316-C321 WeakPolarHBondContact CG1-SG 3.3Å; V316-H332 PolarHBondContact O-NE2 3.37Å; V316-R408 PolarHBondContact O-NE 2.69Å; V316-R408 PolarHBondContact O-NH2 3.47Å
317S95.8Very high95.7Very high46 Ų4624.3 Ų24.332%0.32212%0.12SC..  trans-70.9164.3174.163.50000112.6E319 G320 C321S317-E319 VanDerWaalsContact C-N 3.27Å; S317-E319 PolarHBondContact O-N 2.87Å; S317-G320 WeakPolarHBondContact O-CA 3.3Å; S317-G320 PolarHBondContact O-N 3.25Å; S317-G320 PolarHBondContact OG-N 2.8Å; S317-C321 PolarHBondContact O-N 3.38Å
318I96.9Very high95.7Very high40 Ų4026.9 Ų26.921%0.20513%0.132CC..Hα-helixtrans-50.9-48.6173.8-63.4170.5000111G320 C321 K322 H332 D334 Q335I318-G320 VanDerWaalsContact C-N 3.26Å; I318-G320 PolarHBondContact O-N 2.8Å; I318-C321 WeakPolarHBondContact O-CB 3.35Å; I318-C321 PolarHBondContact O-N 3Å; I318-K322 HydrophobicContact CG2-CD 4.43Å; I318-K322 WeakPolarHBondContact O-CG 2.86Å; I318-K322 PolarHBondContact O-N 3.4Å; I318-H332 HydrophobicContact CG1-CB 3.91Å; I318-H332 WeakPolarHBondContact CG1-ND1 3.33Å; I318-D334 HydrophobicContact CD1-CB 3.99Å; I318-D334 HydrophobicContact CG1-CB 4.24Å; I318-Q335 HydrophobicContact CD1-CG 3.81Å
319E94.4Very high95.9Very high104 Ų10424.8 Ų24.849%0.48612%0.121SC..Hα-helixtrans-65.7-29.8179.1-61.9-52.212700112.4S317 K322 R323S317-E319 VanDerWaalsContact C-N 3.27Å; S317-E319 PolarHBondContact O-N 2.87Å; E319-K322 IonicContact OE1-NZ 3.47Å; E319-K322 PolarHBondContact OE1-NZ 3.34Å; E319-K322 IonicContact OE2-NZ 2.87Å; E319-R323 WeakPolarHBondContact O-CG 3.33Å; E319-R323 PolarHBondContact O-N 3.08Å; E319-R323 PolarHBondContact O-NH1 2.76Å
320G92.3Very high95.9Very high1 Ų125.5 Ų25.51%0.0112%0.124CC..Hα-helixtrans-67.7-43.3171.500000113.3S317 I318 R323S317-G320 WeakPolarHBondContact O-CA 3.3Å; S317-G320 PolarHBondContact O-N 3.25Å; S317-G320 PolarHBondContact OG-N 2.8Å; I318-G320 VanDerWaalsContact C-N 3.26Å; I318-G320 PolarHBondContact O-N 2.8Å; G320-R323 PolarHBondContact O-N 2.87Å
321C94.4Very high95.9Very high0 Ų025.4 Ų25.40%012%0.123CC..Hα-helixtrans-61.4-46.3173.1-68.50000111.5V316 S317 I318 R323 V324 A325 F330V316-C321 HydrophobicContact CG1-CB 4.45Å; V316-C321 WeakPolarHBondContact CG1-SG 3.3Å; S317-C321 PolarHBondContact O-N 3.38Å; I318-C321 WeakPolarHBondContact O-CB 3.35Å; I318-C321 PolarHBondContact O-N 3Å; C321-R323 PolarHBondContact O-N 3.1Å; C321-V324 PolarHBondContact O-N 2.68Å; C321-V324 VanDerWaalsContact O-N 3.12Å; C321-A325 VanDerWaalsContact O-CB 3.23Å; C321-A325 WeakPolarHBondContact O-CB 3.5Å; C321-A325 PolarHBondContact O-N 3.11Å; C321-F330 HydrophobicContact CB-CD1 4.31Å; C321-F330 HydrophobicContact CB-CD2 4.14Å; C321-F330 HydrophobicContact CB-CE1 3.69Å; C321-F330 HydrophobicContact CB-CE2 3.5Å; C321-F330 VanDerWaalsContact CB-CE2 3.5Å; C321-F330 HydrophobicContact CB-CZ 3.24Å
322K94.1Very high95.9Very high65 Ų6525.4 Ų25.428%0.28312%0.123SC..Hα-helixtrans-56-32.8-179.7-79.8-176.3-177.3170.10113.7P209 I318 E319 V324 F330P209-K322 HydrophobicContact CB-CB 4Å; P209-K322 WeakPolarHBondContact CB-O 2.99Å; P209-K322 WeakPolarHBondContact CG-O 3.34Å; I318-K322 HydrophobicContact CG2-CD 4.43Å; I318-K322 WeakPolarHBondContact O-CG 2.86Å; I318-K322 PolarHBondContact O-N 3.4Å; E319-K322 IonicContact OE1-NZ 3.47Å; E319-K322 PolarHBondContact OE1-NZ 3.34Å; E319-K322 IonicContact OE2-NZ 2.87Å; K322-V324 VanDerWaalsContact C-N 3.27Å; K322-V324 PolarHBondContact O-N 2.93Å; K322-F330 HydrophobicContact CG-CE1 4.36Å; K322-F330 HydrophobicContact CG-CZ 3.98Å
323R90.6Very high95.9Very high106 Ų10625.5 Ų25.540%0.412%0.124SC..THydrogen-bonded Turntrans-67.1-24-179.8-75.1-173.9-55.8-103.116.9114.3M189 D294 E319 G320 C321M189-R323 VanDerWaalsContact CE-CZ 3.48Å; M189-R323 VanDerWaalsContact CE-NH2 3.29Å; D294-R323 IonicContact OD1-CZ 3.51Å; D294-R323 IonicContact OD1-NH2 3.32Å; D294-R323 PolarHBondContact OD1-NH2 3.41Å; E319-R323 WeakPolarHBondContact O-CG 3.33Å; E319-R323 PolarHBondContact O-N 3.08Å; E319-R323 PolarHBondContact O-NH1 2.76Å; G320-R323 PolarHBondContact O-N 2.87Å; C321-R323 PolarHBondContact O-N 3.1Å
324V90.4Very high95.9Very high27 Ų2726.1 Ų26.116%0.16413%0.127CC..THydrogen-bonded Turntrans-128.9-21.7-171.2-540000114.4Y200 I296 F301 C321 K322Y200-V324 WeakPolarHBondContact CB-O 3.4Å; I296-V324 HydrophobicContact CD1-CG2 3.25Å; F301-V324 HydrophobicContact CZ-CG2 4.2Å; C321-V324 PolarHBondContact O-N 2.68Å; C321-V324 VanDerWaalsContact O-N 3.12Å; K322-V324 VanDerWaalsContact C-N 3.27Å; K322-V324 PolarHBondContact O-N 2.93Å
325A94.3Very high95.9Very high5 Ų530.1 Ų30.14%0.04115%0.146CC..SBendtrans-83.1155.4177.800000110.4L300 F305 C321 F330L300-A325 HydrophobicContact CD2-CB 4.28Å; F305-A325 HydrophobicContact CE2-CB 4.31Å; F305-A325 HydrophobicContact CZ-CB 4.24Å; C321-A325 VanDerWaalsContact O-CB 3.23Å; C321-A325 WeakPolarHBondContact O-CB 3.5Å; C321-A325 PolarHBondContact O-N 3.11Å; A325-F330 HydrophobicContact CB-CD1 3.73Å; A325-F330 HydrophobicContact CB-CE1 3.93Å
326P95.9Very high95.9Very high1 Ų131.4 Ų31.41%0.00615%0.152CC..PPolyproline II helixtrans-56.3148.1170.2-14.222.7000111.4Y200 F305 H328 S329 W362Y200-P326 HydrophobicContact CD1-CB 4.27Å; Y200-P326 HydrophobicContact CD1-CG 4.42Å; Y200-P326 HydrophobicContact CD2-CB 3.96Å; Y200-P326 HydrophobicContact CD2-CG 3.6Å; Y200-P326 HydrophobicContact CE1-CB 4.17Å; Y200-P326 HydrophobicContact CE2-CB 3.8Å; Y200-P326 HydrophobicContact CE2-CG 3.91Å; Y200-P326 HydrophobicContact CG-CB 4.17Å; Y200-P326 HydrophobicContact CG-CG 3.86Å; F305-P326 HydrophobicContact CE2-CG 4.24Å; F305-P326 HydrophobicContact CZ-CG 4.33Å; P326-H328 PolarHBondContact O-N 3.07Å; P326-S329 WeakPolarHBondContact CD-OG 3.04Å; P326-S329 VanDerWaalsContact O-CB 3.25Å; P326-S329 WeakPolarHBondContact O-CB 3.05Å; P326-S329 PolarHBondContact O-N 2.99Å; P326-S329 PolarHBondContact O-OG 3.16Å; P326-W362 HydrophobicContact CB-CB 3.63Å; P326-W362 HydrophobicContact CB-CD2 3.44Å; P326-W362 VanDerWaalsContact CB-CD2 3.44Å; P326-W362 HydrophobicContact CB-CE3 3.82Å; P326-W362 HydrophobicContact CB-CG 3.37Å; P326-W362 HydrophobicContact CG-CD2 3.56Å; P326-W362 HydrophobicContact CG-CE3 3.7Å; P326-W362 HydrophobicContact CG-CG 4.04Å; P326-W362 HydrophobicContact CG-CH2 4.2Å; P326-W362 HydrophobicContact CG-CZ2 4.03Å; P326-W362 HydrophobicContact CG-CZ3 4.04Å
327P95.1Very high96Very high10 Ų1037.3 Ų37.37%0.06518%0.179CC..THydrogen-bonded Turntrans-55.5137178.3-2736.1000112.1G208 T211 Y213 S329G208-P327 WeakPolarHBondContact O-CG 3.42Å; T211-P327 VanDerWaalsContact O-CB 3.29Å; T211-P327 WeakPolarHBondContact O-CB 3.08Å; Y213-P327 HydrophobicContact CE2-CB 4.18Å; Y213-P327 HydrophobicContact CE2-CG 3.91Å; P327-S329 PolarHBondContact O-N 3.29Å; P327-S329 VanDerWaalsContact O-N 3.09Å
328H97Very high96Very high99 Ų9936.7 Ų36.746%0.45817%0.174SC..THydrogen-bonded Turntrans5132.1178.1-165.262.7000115.1P326 Y359P326-H328 PolarHBondContact O-N 3.07Å; H328-Y359 WeakPolarHBondContact O-CA 3.37Å; H328-Y359 VanDerWaalsContact O-CD1 3.3Å; H328-Y359 WeakPolarHBondContact O-CD1 3.41Å
329S98.2Very high96.1Very high1 Ų134.9 Ų34.91%0.00717%0.165CC..  trans-100.7-9.3-171.563.80000115.8F305 P311 P326 P327 W362F305-S329 VanDerWaalsContact CZ-OG 3.25Å; F305-S329 WeakPolarHBondContact CZ-OG 3.48Å; P311-S329 WeakPolarHBondContact CD-O 3.38Å; P326-S329 WeakPolarHBondContact CD-OG 3.04Å; P326-S329 VanDerWaalsContact O-CB 3.25Å; P326-S329 WeakPolarHBondContact O-CB 3.05Å; P326-S329 PolarHBondContact O-N 2.99Å; P326-S329 PolarHBondContact O-OG 3.16Å; P327-S329 PolarHBondContact O-N 3.29Å; P327-S329 VanDerWaalsContact O-N 3.09Å; S329-W362 VanDerWaalsContact CB-CD1 3.47Å
330F98.6Very high96.3Very high16 Ų1631 Ų317%0.0715%0.151CC..  trans-135.2153.4-172.467.5-89.3000112.5P311 V313 C321 K322 A325 H332P311-F330 HydrophobicContact CG-CB 3.75Å; V313-F330 HydrophobicContact CG2-CB 4.03Å; V313-F330 HydrophobicContact CG2-CD2 4.25Å; V313-F330 HydrophobicContact CG2-CG 4.42Å; C321-F330 HydrophobicContact CB-CD1 4.31Å; C321-F330 HydrophobicContact CB-CD2 4.14Å; C321-F330 HydrophobicContact CB-CE1 3.69Å; C321-F330 HydrophobicContact CB-CE2 3.5Å; C321-F330 VanDerWaalsContact CB-CE2 3.5Å; C321-F330 HydrophobicContact CB-CZ 3.24Å; K322-F330 HydrophobicContact CG-CE1 4.36Å; K322-F330 HydrophobicContact CG-CZ 3.98Å; A325-F330 HydrophobicContact CB-CD1 3.73Å; A325-F330 HydrophobicContact CB-CE1 3.93Å; F330-H332 HydrophobicContact CD2-CB 3.99Å; F330-H332 HydrophobicContact CE2-CB 3.86Å
331I98.9Very high96.6Very high0 Ų036.2 Ų36.20%017%0.173CC..EExtended strand (participates in β ladder)trans-103.9134.2169.3-59.8170.7000106.8F283 I310 P311 V312 V313 F336 L342 Y345 L346 L349 Y359F283-I331 HydrophobicContact CD1-CD1 4.27Å; F283-I331 HydrophobicContact CE1-CD1 4.23Å; I310-I331 HydrophobicContact CG2-CD1 3.72Å; I310-I331 HydrophobicContact CG2-CG1 3.8Å; P311-I331 PolarHBondContact O-N 2.81Å; V312-I331 CarbonylContact C-O 3.58Å; V312-I331 VanDerWaalsContact CA-O 3.27Å; V312-I331 WeakPolarHBondContact CA-O 3.46Å; V312-I331 HydrophobicContact CG2-CB 4.42Å; V313-I331 PolarHBondContact N-O 3.23Å; I331-F336 HydrophobicContact CG2-CE2 3.54Å; I331-F336 HydrophobicContact CG2-CZ 3.93Å; I331-L342 HydrophobicContact CG2-CD1 3.76Å; I331-Y345 HydrophobicContact CD1-CD1 4.21Å; I331-Y345 HydrophobicContact CD1-CE1 3.94Å; I331-Y345 HydrophobicContact CG1-CE1 4.16Å; I331-Y345 HydrophobicContact CG2-CD1 4.36Å; I331-Y345 HydrophobicContact CG2-CE1 4.48Å; I331-L346 HydrophobicContact CD1-CD2 3.59Å; I331-L349 HydrophobicContact CD1-CD1 3.49Å; I331-L349 VanDerWaalsContact CD1-CD1 3.49Å; I331-Y359 HydrophobicContact CD1-CE1 4.44Å; I331-Y359 HydrophobicContact CG1-CD1 4.41Å; I331-Y359 HydrophobicContact CG1-CE1 3.61Å
332H98.8Very high96.8Very high0 Ų036.2 Ų36.20%017%0.173CC..EExtended strand (participates in β ladder)trans-120.1135.7-177.3-169.9-74000110.7V316 I318 F330 D334 Q335 R408V316-H332 PolarHBondContact O-NE2 3.37Å; I318-H332 HydrophobicContact CG1-CB 3.91Å; I318-H332 WeakPolarHBondContact CG1-ND1 3.33Å; F330-H332 HydrophobicContact CD2-CB 3.99Å; F330-H332 HydrophobicContact CE2-CB 3.86Å; H332-D334 IonicContact CE1-OD2 2.91Å; H332-D334 PolarHBondContact CE1-OD2 3.02Å; H332-D334 VanDerWaalsContact CE1-OD2 3.24Å; H332-D334 WeakPolarHBondContact ND1-CB 3.22Å; H332-D334 PolarHBondContact ND1-N 2.88Å; H332-D334 VanDerWaalsContact ND1-N 3.1Å; H332-D334 IonicContact ND1-OD2 3.66Å; H332-D334 PolarHBondContact O-N 2.05Å; H332-D334 VanDerWaalsContact O-N 3.13Å; H332-Q335 HydrophobicContact CB-CG 4.23Å; H332-Q335 VanDerWaalsContact O-CB 3.27Å; H332-Q335 WeakPolarHBondContact O-CB 3.17Å; H332-Q335 WeakPolarHBondContact O-CG 3.19Å; H332-Q335 PolarHBondContact O-N 2.94Å; H332-Q335 PolarHBondContact O-OE1 3.15Å; H332-R408 PolarHBondContact CE1-NH2 3.43Å
333V98.7Very high97.1Very high2 Ų233.1 Ų33.11%0.01216%0.16CC..G310 helixtrans-55.1-36.7-175.6-65.80000113.3Y244 F287 V312 V313 M314 Q335 F336 L342 I410Y244-V333 HydrophobicContact CE1-CB 4.47Å; Y244-V333 HydrophobicContact CE1-CG1 3.78Å; Y244-V333 HydrophobicContact CE2-CB 4.12Å; Y244-V333 HydrophobicContact CE2-CG1 4.24Å; F287-V333 HydrophobicContact CE1-CG1 3.87Å; F287-V333 HydrophobicContact CZ-CG1 3.88Å; V312-V333 HydrophobicContact CG1-CG1 4.47Å; V313-V333 WeakPolarHBondContact O-CG1 3.43Å; V313-V333 PolarHBondContact O-N 2.63Å; M314-V333 HydrophobicContact CB-CG1 4.15Å; M314-V333 HydrophobicContact CB-CG2 3.98Å; M314-V333 HydrophobicContact CE-CG1 4.18Å; M314-V333 HydrophobicContact CE-CG2 4.19Å; M314-V333 HydrophobicContact CG-CG2 4.18Å; V333-Q335 PolarHBondContact O-N 2.89Å; V333-F336 PolarHBondContact O-N 3.08Å; V333-F336 VanDerWaalsContact O-N 3.08Å; V333-L342 HydrophobicContact CG1-CD2 4.22Å; V333-I410 HydrophobicContact CG2-CG2 4.15Å
334D98.1Very high97.4Very high21 Ų2131.9 Ų31.911%0.11216%0.161CC..G310 helixtrans-68.9-10.2179.3-63.7-21.6000114.8I318 H332 F336 R408 I410 R411I318-D334 HydrophobicContact CD1-CB 3.99Å; I318-D334 HydrophobicContact CG1-CB 4.24Å; H332-D334 IonicContact CE1-OD2 2.91Å; H332-D334 PolarHBondContact CE1-OD2 3.02Å; H332-D334 VanDerWaalsContact CE1-OD2 3.24Å; H332-D334 WeakPolarHBondContact ND1-CB 3.22Å; H332-D334 PolarHBondContact ND1-N 2.88Å; H332-D334 VanDerWaalsContact ND1-N 3.1Å; H332-D334 IonicContact ND1-OD2 3.66Å; H332-D334 PolarHBondContact O-N 2.05Å; H332-D334 VanDerWaalsContact O-N 3.13Å; D334-F336 PolarHBondContact O-N 2.92Å; D334-R408 IonicContact OD2-CZ 3.96Å; D334-R408 IonicContact OD2-NH1 3.32Å; D334-R408 PolarHBondContact OD2-NH1 3.1Å; D334-R408 IonicContact OD2-NH2 2.76Å; D334-R408 PolarHBondContact OD2-NH2 3.22Å; D334-I410 WeakPolarHBondContact OD1-CA 3.21Å; D334-I410 WeakPolarHBondContact OD1-CB 3.37Å; D334-R411 HydrophobicContact CB-CB 4.12Å; D334-R411 VanDerWaalsContact O-CD 3.26Å; D334-R411 WeakPolarHBondContact O-CD 3.4Å; D334-R411 PolarHBondContact OD1-N 3.38Å
335Q98.4Very high97.9Very high84 Ų8433.7 Ų33.739%0.39317%0.165SC..G310 helixtrans-68.4-17.6170.4-66.1171.2-47.300111.6I318 H332 V333I318-Q335 HydrophobicContact CD1-CG 3.81Å; H332-Q335 HydrophobicContact CB-CG 4.23Å; H332-Q335 VanDerWaalsContact O-CB 3.27Å; H332-Q335 WeakPolarHBondContact O-CB 3.17Å; H332-Q335 WeakPolarHBondContact O-CG 3.19Å; H332-Q335 PolarHBondContact O-N 2.94Å; H332-Q335 PolarHBondContact O-OE1 3.15Å; V333-Q335 PolarHBondContact O-N 2.89Å
336F98.3Very high98.1Very high27 Ų2733.4 Ų33.412%0.11816%0.163CC..SBendtrans-116.6148.8-173.7-52.3-83.6000111.3I331 V333 D334 S338 K341 L342 Y345I331-F336 HydrophobicContact CG2-CE2 3.54Å; I331-F336 HydrophobicContact CG2-CZ 3.93Å; V333-F336 PolarHBondContact O-N 3.08Å; V333-F336 VanDerWaalsContact O-N 3.08Å; D334-F336 PolarHBondContact O-N 2.92Å; F336-S338 VanDerWaalsContact C-N 3.32Å; F336-K341 HydrophobicContact CB-CB 4.17Å; F336-K341 HydrophobicContact CD1-CB 4.32Å; F336-L342 HydrophobicContact CB-CB 4.21Å; F336-L342 HydrophobicContact CD1-CB 4.44Å; F336-L342 HydrophobicContact CD2-CB 3.9Å; F336-L342 HydrophobicContact CD2-CD1 3.71Å; F336-L342 HydrophobicContact CD2-CG 4.34Å; F336-L342 HydrophobicContact CE2-CB 4.48Å; F336-L342 HydrophobicContact CE2-CD1 3.5Å; F336-L342 HydrophobicContact CG-CB 3.89Å; F336-L342 HydrophobicContact CG-CD1 4.43Å; F336-L342 HydrophobicContact CZ-CD1 4.06Å; F336-Y345 VanDerWaalsContact CE1-CB 3.42Å; F336-Y345 AromaticContact CE1-CD1 3.85Å; F336-Y345 HydrophobicContact CE1-CD1 3.85Å; F336-Y345 HydrophobicContact CE1-CD2 4.35Å; F336-Y345 AromaticContact CE1-CG 3.62Å; F336-Y345 HydrophobicContact CE1-CG 3.62Å; F336-Y345 HydrophobicContact CE2-CD1 4.5Å; F336-Y345 AromaticContact CZ-CD1 3.41Å; F336-Y345 HydrophobicContact CZ-CD1 3.41Å; F336-Y345 VanDerWaalsContact CZ-CD1 3.41Å; F336-Y345 HydrophobicContact CZ-CE1 4.1Å; F336-Y345 AromaticContact CZ-CG 3.71Å; F336-Y345 HydrophobicContact CZ-CG 3.71Å
337E96.7Very high98.2Very high129 Ų12936.2 Ų36.260%0.60318%0.175SC*.SBendtrans-72.3-27.8176.2-70.1173.2-179.700112.6R411E337-R411 VanDerWaalsContact CG-NH2 3.31Å; E337-R411 IonicContact OE1-NH2 2.73Å
338S97.3Very high98.4Very high32 Ų3241 Ų4122%0.22419%0.193CC..SBendtrans-154.9161.6-176.469.60000112.4F336 A340 K341 L342F336-S338 VanDerWaalsContact C-N 3.32Å; S338-A340 PolarHBondContact O-N 3.29Å; S338-A340 PolarHBondContact OG-N 3.37Å; S338-K341 PolarHBondContact O-N 2.96Å; S338-K341 VanDerWaalsContact O-N 3.11Å; S338-K341 PolarHBondContact OG-N 3.39Å; S338-L342 PolarHBondContact O-N 2.62Å; S338-L342 VanDerWaalsContact O-N 3.1Å
339P98.4Very high98.5Very high2 Ų236.2 Ų36.21%0.01317%0.171CC..Hα-helixtrans-53.9-33.8169.9-27.935.6000113.5Y244 E247 L248 L342 A343 W412Y244-P339 HydrophobicContact CD1-CG 4.41Å; Y244-P339 HydrophobicContact CD2-CG 4.14Å; Y244-P339 HydrophobicContact CE1-CB 4.26Å; Y244-P339 HydrophobicContact CE1-CG 4.12Å; Y244-P339 HydrophobicContact CE2-CG 3.83Å; Y244-P339 HydrophobicContact CG-CG 4.41Å; E247-P339 HydrophobicContact CB-CB 4.21Å; E247-P339 HydrophobicContact CB-CG 3.99Å; L248-P339 HydrophobicContact CB-CB 4.11Å; L248-P339 HydrophobicContact CD1-CB 4.11Å; L248-P339 WeakPolarHBondContact CD1-O 3.44Å; P339-L342 PolarHBondContact O-N 2.88Å; P339-A343 PolarHBondContact O-N 3.36Å; P339-W412 HydrophobicContact CG-CD2 3.96Å; P339-W412 HydrophobicContact CG-CE3 4.24Å; P339-W412 HydrophobicContact CG-CG 4.46Å; P339-W412 HydrophobicContact CG-CH2 4.24Å; P339-W412 HydrophobicContact CG-CZ2 4.01Å; P339-W412 HydrophobicContact CG-CZ3 4.36Å
340A98.5Very high98.5Very high22 Ų2238.3 Ų38.318%0.18218%0.182CC..Hα-helixtrans-62.9-45.2175.700000112.2Y251 S338 L342 A343 D344Y251-A340 HydrophobicContact CD1-CB 3.97Å; Y251-A340 HydrophobicContact CD2-CB 3.89Å; Y251-A340 HydrophobicContact CE1-CB 3.84Å; Y251-A340 HydrophobicContact CE2-CB 3.73Å; Y251-A340 HydrophobicContact CG-CB 4.01Å; S338-A340 PolarHBondContact O-N 3.29Å; S338-A340 PolarHBondContact OG-N 3.37Å; A340-L342 VanDerWaalsContact C-N 3.34Å; A340-L342 PolarHBondContact O-N 3.47Å; A340-A343 WeakPolarHBondContact O-CB 3.39Å; A340-A343 PolarHBondContact O-N 2.72Å; A340-A343 VanDerWaalsContact O-N 3.17Å; A340-D344 PolarHBondContact O-N 3.1Å
341K98.7Very high98.4Very high111 Ų11147.2 Ų47.248%0.48322%0.215SC..Hα-helixtrans-66.4-35.8177.2-69.4-60.5-174.3-174.10112.6F336 S338 D344 Y345F336-K341 HydrophobicContact CB-CB 4.17Å; F336-K341 HydrophobicContact CD1-CB 4.32Å; S338-K341 PolarHBondContact O-N 2.96Å; S338-K341 VanDerWaalsContact O-N 3.11Å; S338-K341 PolarHBondContact OG-N 3.39Å; K341-D344 PolarHBondContact O-N 3.31Å; K341-Y345 PolarHBondContact O-N 3.17Å; K341-Y345 VanDerWaalsContact O-N 3.14Å
342L98.8Very high98.4Very high0 Ų049.7 Ų49.70%023%0.228CC..Hα-helixtrans-61.1-48.5169.8171.762.8000110.7Y244 L248 V312 I331 V333 F336 S338 P339 A340 D344 Y345 L346Y244-L342 HydrophobicContact CE1-CD2 3.85Å; Y244-L342 WeakPolarHBondContact OH-CD2 3.45Å; L248-L342 HydrophobicContact CD1-CB 4.44Å; L248-L342 HydrophobicContact CD1-CD2 4.1Å; L248-L342 HydrophobicContact CD1-CG 4.25Å; L248-L342 HydrophobicContact CD2-CD2 4.12Å; V312-L342 HydrophobicContact CG1-CD1 4.09Å; V312-L342 HydrophobicContact CG1-CD2 3.88Å; I331-L342 HydrophobicContact CG2-CD1 3.76Å; V333-L342 HydrophobicContact CG1-CD2 4.22Å; F336-L342 HydrophobicContact CB-CB 4.21Å; F336-L342 HydrophobicContact CD1-CB 4.44Å; F336-L342 HydrophobicContact CD2-CB 3.9Å; F336-L342 HydrophobicContact CD2-CD1 3.71Å; F336-L342 HydrophobicContact CD2-CG 4.34Å; F336-L342 HydrophobicContact CE2-CB 4.48Å; F336-L342 HydrophobicContact CE2-CD1 3.5Å; F336-L342 HydrophobicContact CG-CB 3.89Å; F336-L342 HydrophobicContact CG-CD1 4.43Å; F336-L342 HydrophobicContact CZ-CD1 4.06Å; S338-L342 PolarHBondContact O-N 2.62Å; S338-L342 VanDerWaalsContact O-N 3.1Å; P339-L342 PolarHBondContact O-N 2.88Å; A340-L342 VanDerWaalsContact C-N 3.34Å; A340-L342 PolarHBondContact O-N 3.47Å; L342-D344 VanDerWaalsContact C-N 3.32Å; L342-D344 PolarHBondContact O-N 3.1Å; L342-Y345 WeakPolarHBondContact O-CB 3.34Å; L342-Y345 PolarHBondContact O-N 3.22Å; L342-Y345 VanDerWaalsContact O-N 3.1Å; L342-L346 HydrophobicContact CD1-CD1 4.32Å; L342-L346 HydrophobicContact CD1-CD2 4.18Å; L342-L346 HydrophobicContact CD1-CG 4.07Å; L342-L346 HydrophobicContact CG-CD1 4.31Å; L342-L346 HydrophobicContact CG-CG 4.4Å; L342-L346 WeakPolarHBondContact O-CG 3.43Å; L342-L346 PolarHBondContact O-N 3.02Å
343A98.9Very high98.3Very high0 Ų054.4 Ų54.40%025%0.25CS..Hα-helixtrans-59.1-40.7178.500000112.9L248 Y251 I252 P339 A340 Y345 L346 K347L248-A343 HydrophobicContact CD1-CB 3.95Å; Y251-A343 HydrophobicContact CG-CB 4.48Å; I252-A343 HydrophobicContact CB-CB 4.01Å; I252-A343 HydrophobicContact CG2-CB 3.9Å; P339-A343 PolarHBondContact O-N 3.36Å; A340-A343 WeakPolarHBondContact O-CB 3.39Å; A340-A343 PolarHBondContact O-N 2.72Å; A340-A343 VanDerWaalsContact O-N 3.17Å; A343-Y345 VanDerWaalsContact C-N 3.31Å; A343-Y345 PolarHBondContact O-N 2.81Å; A343-L346 PolarHBondContact O-N 2.81Å; A343-K347 VanDerWaalsContact O-CG 3.32Å; A343-K347 WeakPolarHBondContact O-CG 3.47Å; A343-K347 PolarHBondContact O-N 3.46Å
344D98.9Very high98.3Very high81 Ų8158.3 Ų58.343%0.43327%0.274SS..Hα-helixtrans-59.8-42.7174.4-70.5-21.5000111.5A340 K341 L342 K347 Y348A340-D344 PolarHBondContact O-N 3.1Å; K341-D344 PolarHBondContact O-N 3.31Å; L342-D344 VanDerWaalsContact C-N 3.32Å; L342-D344 PolarHBondContact O-N 3.1Å; D344-K347 PolarHBondContact O-N 2.92Å; D344-Y348 PolarHBondContact O-N 3.01Å
345Y98.9Very high98.3Very high64 Ų6457.5 Ų57.525%0.25127%0.271SS..Hα-helixtrans-66.7-41.3177.6-173.1-111.1000112.8I331 F336 K341 L342 A343 K347 Y348 L349 Y359I331-Y345 HydrophobicContact CD1-CD1 4.21Å; I331-Y345 HydrophobicContact CD1-CE1 3.94Å; I331-Y345 HydrophobicContact CG1-CE1 4.16Å; I331-Y345 HydrophobicContact CG2-CD1 4.36Å; I331-Y345 HydrophobicContact CG2-CE1 4.48Å; F336-Y345 VanDerWaalsContact CE1-CB 3.42Å; F336-Y345 AromaticContact CE1-CD1 3.85Å; F336-Y345 HydrophobicContact CE1-CD1 3.85Å; F336-Y345 HydrophobicContact CE1-CD2 4.35Å; F336-Y345 AromaticContact CE1-CG 3.62Å; F336-Y345 HydrophobicContact CE1-CG 3.62Å; F336-Y345 HydrophobicContact CE2-CD1 4.5Å; F336-Y345 AromaticContact CZ-CD1 3.41Å; F336-Y345 HydrophobicContact CZ-CD1 3.41Å; F336-Y345 VanDerWaalsContact CZ-CD1 3.41Å; F336-Y345 HydrophobicContact CZ-CE1 4.1Å; F336-Y345 AromaticContact CZ-CG 3.71Å; F336-Y345 HydrophobicContact CZ-CG 3.71Å; K341-Y345 PolarHBondContact O-N 3.17Å; K341-Y345 VanDerWaalsContact O-N 3.14Å; L342-Y345 WeakPolarHBondContact O-CB 3.34Å; L342-Y345 PolarHBondContact O-N 3.22Å; L342-Y345 VanDerWaalsContact O-N 3.1Å; A343-Y345 VanDerWaalsContact C-N 3.31Å; A343-Y345 PolarHBondContact O-N 2.81Å; Y345-K347 VanDerWaalsContact C-N 3.31Å; Y345-K347 PolarHBondContact O-N 3.28Å; Y345-Y348 AromaticContact CD2-CD1 3.96Å; Y345-Y348 HydrophobicContact CD2-CD1 3.96Å; Y345-Y348 AromaticContact CE2-CD1 3.82Å; Y345-Y348 HydrophobicContact CE2-CD1 3.82Å; Y345-Y348 HydrophobicContact CE2-CE1 4.07Å; Y345-Y348 WeakPolarHBondContact O-CB 3.29Å; Y345-Y348 PolarHBondContact O-N 2.82Å; Y345-Y348 VanDerWaalsContact O-N 3.16Å; Y345-L349 HydrophobicContact CD1-CD1 4.02Å; Y345-L349 HydrophobicContact CD1-CG 4.43Å; Y345-L349 HydrophobicContact CE1-CD1 3.51Å; Y345-L349 HydrophobicContact CE1-CG 4.04Å; Y345-L349 HydrophobicContact CE2-CG 4.48Å; Y345-L349 PolarHBondContact O-N 2.56Å; Y345-Y359 WeakPolarHBondContact CE1-OH 3.24Å; Y345-Y359 PolarHBondContact OH-OH 2.91Å
346L98.9Very high98.3Very high0 Ų053.5 Ų53.50%025%0.252CS..Hα-helixtrans-62.8-38.2174.9-61.2-175.5000111.7V228 I252 F283 V312 I331 L342 A343 L349 D350V228-L346 HydrophobicContact CG2-CD1 3.89Å; I252-L346 HydrophobicContact CD1-CB 3.77Å; I252-L346 HydrophobicContact CD1-CD1 4.11Å; F283-L346 HydrophobicContact CD1-CD2 3.69Å; F283-L346 HydrophobicContact CD2-CB 4.22Å; F283-L346 HydrophobicContact CD2-CD1 4.49Å; F283-L346 HydrophobicContact CD2-CD2 4.26Å; F283-L346 HydrophobicContact CE1-CD2 3.82Å; F283-L346 HydrophobicContact CE2-CB 3.96Å; F283-L346 HydrophobicContact CE2-CD2 4.37Å; F283-L346 WeakPolarHBondContact CE2-O 3.5Å; F283-L346 HydrophobicContact CG-CD2 3.94Å; F283-L346 HydrophobicContact CZ-CB 4.25Å; F283-L346 HydrophobicContact CZ-CD2 4.17Å; F283-L346 WeakPolarHBondContact CZ-O 3.35Å; V312-L346 HydrophobicContact CG2-CD1 4.34Å; V312-L346 HydrophobicContact CG2-CD2 4.05Å; I331-L346 HydrophobicContact CD1-CD2 3.59Å; L342-L346 HydrophobicContact CD1-CD1 4.32Å; L342-L346 HydrophobicContact CD1-CD2 4.18Å; L342-L346 HydrophobicContact CD1-CG 4.07Å; L342-L346 HydrophobicContact CG-CD1 4.31Å; L342-L346 HydrophobicContact CG-CG 4.4Å; L342-L346 WeakPolarHBondContact O-CG 3.43Å; L342-L346 PolarHBondContact O-N 3.02Å; A343-L346 PolarHBondContact O-N 2.81Å; L346-L349 PolarHBondContact O-N 3.33Å; L346-D350 WeakPolarHBondContact O-CB 3.43Å; L346-D350 PolarHBondContact O-N 2.81Å
347K98.8Very high98.3Very high59 Ų5952.8 Ų52.826%0.25725%0.249SC..Hα-helixtrans-67.4-34.4173.3-70.8169.1-174.9170.10113M227 Y251 A343 D344 Y345 R351M227-K347 HydrophobicContact CE-CB 4.24Å; M227-K347 HydrophobicContact CE-CG 3.74Å; Y251-K347 WeakPolarHBondContact O-CE 3.34Å; Y251-K347 PolarHBondContact O-NZ 3.44Å; A343-K347 VanDerWaalsContact O-CG 3.32Å; A343-K347 WeakPolarHBondContact O-CG 3.47Å; A343-K347 PolarHBondContact O-N 3.46Å; D344-K347 PolarHBondContact O-N 2.92Å; Y345-K347 VanDerWaalsContact C-N 3.31Å; Y345-K347 PolarHBondContact O-N 3.28Å; K347-R351 WeakPolarHBondContact O-CD 3.19Å; K347-R351 WeakPolarHBondContact O-CG 3.31Å; K347-R351 PolarHBondContact O-N 2.83Å
348Y98.7Very high98.4Very high110 Ų11050.9 Ų50.943%0.43124%0.241SC..Hα-helixtrans-63.5-51.1173.1157.6-102.5000110.9D344 Y345 D350 R351 N352 A355D344-Y348 PolarHBondContact O-N 3.01Å; Y345-Y348 AromaticContact CD2-CD1 3.96Å; Y345-Y348 HydrophobicContact CD2-CD1 3.96Å; Y345-Y348 AromaticContact CE2-CD1 3.82Å; Y345-Y348 HydrophobicContact CE2-CD1 3.82Å; Y345-Y348 HydrophobicContact CE2-CE1 4.07Å; Y345-Y348 WeakPolarHBondContact O-CB 3.29Å; Y345-Y348 PolarHBondContact O-N 2.82Å; Y345-Y348 VanDerWaalsContact O-N 3.16Å; Y348-D350 VanDerWaalsContact C-N 3.29Å; Y348-D350 PolarHBondContact O-N 2.77Å; Y348-R351 PolarHBondContact O-N 3.1Å; Y348-R351 VanDerWaalsContact O-N 3.1Å; Y348-N352 HydrophobicContact CE2-CB 4.08Å; Y348-N352 WeakPolarHBondContact O-CB 3.07Å; Y348-N352 PolarHBondContact O-N 3.21Å; Y348-N352 PolarHBondContact OH-ND2 3.15Å; Y348-A355 HydrophobicContact CE1-CB 3.91Å; Y348-A355 WeakPolarHBondContact OH-CB 3.23Å
349L98.6Very high98.4Very high0 Ų049.7 Ų49.70%023%0.231CC..Hα-helixtrans-62.1-37.6178.1-69.5-179.3000112F283 I331 Y345 L346 R351 N352 A355 Y359F283-L349 HydrophobicContact CE1-CB 4.11Å; F283-L349 HydrophobicContact CE1-CD1 3.94Å; F283-L349 HydrophobicContact CZ-CB 3.78Å; F283-L349 HydrophobicContact CZ-CD1 4.4Å; I331-L349 HydrophobicContact CD1-CD1 3.49Å; I331-L349 VanDerWaalsContact CD1-CD1 3.49Å; Y345-L349 HydrophobicContact CD1-CD1 4.02Å; Y345-L349 HydrophobicContact CD1-CG 4.43Å; Y345-L349 HydrophobicContact CE1-CD1 3.51Å; Y345-L349 HydrophobicContact CE1-CG 4.04Å; Y345-L349 HydrophobicContact CE2-CG 4.48Å; Y345-L349 PolarHBondContact O-N 2.56Å; L346-L349 PolarHBondContact O-N 3.33Å; L349-R351 PolarHBondContact O-N 2.8Å; L349-N352 CarbonylContact O-C 3.55Å; L349-N352 PolarHBondContact O-N 3.04Å; L349-A355 HydrophobicContact CD2-CB 3.8Å; L349-Y359 HydrophobicContact CD1-CD2 4.38Å; L349-Y359 HydrophobicContact CD1-CE2 3.77Å; L349-Y359 HydrophobicContact CD2-CE2 3.98Å
350D98.1Very high98.4Very high44 Ų4449.9 Ų49.924%0.23523%0.232CC..Hα-helixtrans-57.5-34.7175176.965.7000113M227 K282 L346 Y348M227-D350 HydrophobicContact CE-CB 3.58Å; K282-D350 HydrophobicContact CD-CB 4.39Å; K282-D350 VanDerWaalsContact CD-OD1 3.29Å; K282-D350 WeakPolarHBondContact CD-OD1 3.19Å; K282-D350 WeakPolarHBondContact CE-OD1 3.32Å; K282-D350 PolarHBondContact NZ-O 3.38Å; K282-D350 IonicContact NZ-OD1 3.49Å; K282-D350 PolarHBondContact NZ-OD1 2.93Å; L346-D350 WeakPolarHBondContact O-CB 3.43Å; L346-D350 PolarHBondContact O-N 2.81Å; Y348-D350 VanDerWaalsContact C-N 3.29Å; Y348-D350 PolarHBondContact O-N 2.77Å
351R97.9Very high98.3Very high203 Ų20349.3 Ų49.377%0.76623%0.227SC*.Hα-helixtrans-94-9.1-178.3-64.4170.2-174.3175.6-0.2114.1K347 Y348 L349K347-R351 WeakPolarHBondContact O-CD 3.19Å; K347-R351 WeakPolarHBondContact O-CG 3.31Å; K347-R351 PolarHBondContact O-N 2.83Å; Y348-R351 PolarHBondContact O-N 3.1Å; Y348-R351 VanDerWaalsContact O-N 3.1Å; L349-R351 PolarHBondContact O-N 2.8Å
352N98.3Very high98.2Very high53 Ų5344.6 Ų44.628%0.28321%0.206SC..  trans-124.892.6-177.5-173.2-28.5000109.7Y348 L349 T354 A355 Y356Y348-N352 HydrophobicContact CE2-CB 4.08Å; Y348-N352 WeakPolarHBondContact O-CB 3.07Å; Y348-N352 PolarHBondContact O-N 3.21Å; Y348-N352 PolarHBondContact OH-ND2 3.15Å; L349-N352 CarbonylContact O-C 3.55Å; L349-N352 PolarHBondContact O-N 3.04Å; N352-T354 VanDerWaalsContact C-N 3.27Å; N352-T354 PolarHBondContact O-N 3.26Å; N352-T354 PolarHBondContact OD1-N 2.88Å; N352-A355 HydrophobicContact CB-CB 4.11Å; N352-A355 PolarHBondContact O-N 3.22Å; N352-A355 PolarHBondContact OD1-N 3.24Å; N352-Y356 WeakPolarHBondContact O-CB 3.48Å; N352-Y356 PolarHBondContact O-N 3.46Å
353E96.8Very high98Very high99 Ų9946.9 Ų46.946%0.46322%0.217SC..Hα-helixtrans-61.7-34.9-177.7-64-167.1165.300112.7N219 A221 Y356 N357N219-E353 PolarHBondContact ND2-OE2 2.78Å; A221-E353 HydrophobicContact CB-CG 4.19Å; E353-Y356 PolarHBondContact O-N 2.66Å; E353-N357 WeakPolarHBondContact O-CB 3.18Å; E353-N357 PolarHBondContact O-N 3.36Å; E353-N357 PolarHBondContact O-ND2 2.98Å
354T98.2Very high97.6Very high83 Ų8352 Ų5251%0.50924%0.24SC..Hα-helixtrans-61-53.8177.1-55.30000110.5L215 N352 Y356 N357 E358L215-T354 HydrophobicContact CD1-CG2 3.84Å; N352-T354 VanDerWaalsContact C-N 3.27Å; N352-T354 PolarHBondContact O-N 3.26Å; N352-T354 PolarHBondContact OD1-N 2.88Å; T354-Y356 VanDerWaalsContact C-N 3.3Å; T354-Y356 PolarHBondContact O-N 2.68Å; T354-N357 PolarHBondContact O-N 3.24Å; T354-N357 VanDerWaalsContact O-N 3.13Å; T354-E358 PolarHBondContact O-N 3.29Å
355A98.4Very high97.4Very high5 Ų550.7 Ų50.74%0.04123%0.232CC..Hα-helixtrans-63.3-35.3178.700000112.4Y348 L349 N352Y348-A355 HydrophobicContact CE1-CB 3.91Å; Y348-A355 WeakPolarHBondContact OH-CB 3.23Å; L349-A355 HydrophobicContact CD2-CB 3.8Å; N352-A355 HydrophobicContact CB-CB 4.11Å; N352-A355 PolarHBondContact O-N 3.22Å; N352-A355 PolarHBondContact OD1-N 3.24Å
356Y98.6Very high97.1Very high0 Ų048 Ų480%022%0.223CC..Hα-helixtrans-62.9-42.7173.5177.6-90.5000112A221 K224 K282 F283 I310 N352 E353 T354 E358 Y359 F360A221-Y356 HydrophobicContact CB-CD1 3.73Å; A221-Y356 HydrophobicContact CB-CE1 3.89Å; A221-Y356 HydrophobicContact CB-CG 4.49Å; K224-Y356 WeakPolarHBondContact CD-OH 3.44Å; K282-Y356 HydrophobicContact CB-CD2 4.49Å; K282-Y356 HydrophobicContact CB-CE2 3.61Å; K282-Y356 HydrophobicContact CD-CD2 4.41Å; K282-Y356 HydrophobicContact CD-CE2 4.15Å; K282-Y356 HydrophobicContact CG-CE2 3.83Å; K282-Y356 PolarHBondContact O-OH 2.85Å; F283-Y356 HydrophobicContact CE1-CD2 4.26Å; F283-Y356 HydrophobicContact CE1-CE2 4.19Å; F283-Y356 HydrophobicContact CZ-CD2 4.34Å; F283-Y356 HydrophobicContact CZ-CE2 4.42Å; I310-Y356 HydrophobicContact CD1-CD2 3.45Å; I310-Y356 VanDerWaalsContact CD1-CD2 3.45Å; I310-Y356 HydrophobicContact CD1-CE2 3.36Å; I310-Y356 HydrophobicContact CD1-CG 4.2Å; I310-Y356 HydrophobicContact CG1-CD2 4.46Å; I310-Y356 HydrophobicContact CG1-CE2 3.89Å; N352-Y356 WeakPolarHBondContact O-CB 3.48Å; N352-Y356 PolarHBondContact O-N 3.46Å; E353-Y356 PolarHBondContact O-N 2.66Å; T354-Y356 VanDerWaalsContact C-N 3.3Å; T354-Y356 PolarHBondContact O-N 2.68Å; Y356-E358 VanDerWaalsContact C-N 3.31Å; Y356-E358 PolarHBondContact O-N 2.8Å; Y356-Y359 PolarHBondContact O-N 2.86Å; Y356-F360 HydrophobicContact CD1-CD2 4.44Å; Y356-F360 HydrophobicContact CD1-CE2 4.05Å; Y356-F360 HydrophobicContact CE1-CD2 4.07Å; Y356-F360 AromaticContact CE1-CE2 3.38Å; Y356-F360 HydrophobicContact CE1-CE2 3.38Å; Y356-F360 HydrophobicContact CE1-CZ 4.19Å; Y356-F360 HydrophobicContact CE2-CE2 4.21Å; Y356-F360 AromaticContact CZ-CE2 3.48Å; Y356-F360 VanDerWaalsContact CZ-CE2 3.48Å; Y356-F360 AromaticContact CZ-CZ 3.97Å
357N98.2Very high96.7Very high12 Ų1251.6 Ų51.66%0.06425%0.245CC..Hα-helixtrans-73.6-18.4-177.8-79.6-73.4000113.9L215 P216 R218 N219 Y220 E353 T354 Y359 F360L215-N357 HydrophobicContact CD2-CB 4.21Å; P216-N357 WeakPolarHBondContact CD-O 3.26Å; P216-N357 HydrophobicContact CG-CB 4.37Å; R218-N357 PolarHBondContact O-OD1 2.9Å; N219-N357 WeakPolarHBondContact CA-OD1 3.04Å; N219-N357 PolarHBondContact OD1-ND2 2.03Å; Y220-N357 PolarHBondContact N-OD1 2.89Å; E353-N357 WeakPolarHBondContact O-CB 3.18Å; E353-N357 PolarHBondContact O-N 3.36Å; E353-N357 PolarHBondContact O-ND2 2.98Å; T354-N357 PolarHBondContact O-N 3.24Å; T354-N357 VanDerWaalsContact O-N 3.13Å; N357-Y359 PolarHBondContact O-N 2.92Å; N357-F360 PolarHBondContact O-N 3.1Å
358E98Very high96.2Very high89 Ų8950.7 Ų50.742%0.41624%0.243SC..Hα-helixtrans-56-34.5171.5-68.3176.2171.300111.7L215 T354 Y356 F360 A361L215-E358 HydrophobicContact CD2-CB 4.39Å; L215-E358 HydrophobicContact CD2-CG 3.64Å; T354-E358 PolarHBondContact O-N 3.29Å; Y356-E358 VanDerWaalsContact C-N 3.31Å; Y356-E358 PolarHBondContact O-N 2.8Å; E358-F360 PolarHBondContact O-N 2.85Å; E358-A361 VanDerWaalsContact O-CB 3.32Å; E358-A361 WeakPolarHBondContact O-CB 3.21Å; E358-A361 PolarHBondContact O-N 3.18Å
359Y98.4Very high95.3Very high7 Ų749 Ų493%0.02724%0.242CC..THydrogen-bonded Turntrans-69.1-11.3178.3-74.1-91.2000115I310 H328 I331 Y345 L349 Y356 N357 W362I310-Y359 HydrophobicContact CD1-CD1 4.46Å; I310-Y359 HydrophobicContact CD1-CD2 3.83Å; I310-Y359 HydrophobicContact CD1-CG 3.71Å; I310-Y359 HydrophobicContact CG1-CG 4.26Å; I310-Y359 HydrophobicContact CG2-CD1 3.93Å; I310-Y359 HydrophobicContact CG2-CE1 4.42Å; I310-Y359 HydrophobicContact CG2-CG 4.21Å; H328-Y359 WeakPolarHBondContact O-CA 3.37Å; H328-Y359 VanDerWaalsContact O-CD1 3.3Å; H328-Y359 WeakPolarHBondContact O-CD1 3.41Å; I331-Y359 HydrophobicContact CD1-CE1 4.44Å; I331-Y359 HydrophobicContact CG1-CD1 4.41Å; I331-Y359 HydrophobicContact CG1-CE1 3.61Å; Y345-Y359 WeakPolarHBondContact CE1-OH 3.24Å; Y345-Y359 PolarHBondContact OH-OH 2.91Å; L349-Y359 HydrophobicContact CD1-CD2 4.38Å; L349-Y359 HydrophobicContact CD1-CE2 3.77Å; L349-Y359 HydrophobicContact CD2-CE2 3.98Å; Y356-Y359 PolarHBondContact O-N 2.86Å; N357-Y359 PolarHBondContact O-N 2.92Å; Y359-W362 PolarHBondContact O-NE1 3.11Å
360F97.9Very high93.5Very high5 Ų551.9 Ų51.92%0.02227%0.265CS..THydrogen-bonded Turntrans-112.45.5-179.8-63.2-84.2000112.8P216 Y220 N308 I310 Y356 N357 E358 W362 H363P216-F360 HydrophobicContact CG-CB 4.2Å; Y220-F360 HydrophobicContact CD1-CB 4.42Å; Y220-F360 AromaticContact CD1-CD1 3.76Å; Y220-F360 HydrophobicContact CD1-CD1 3.76Å; Y220-F360 HydrophobicContact CD1-CE1 4.19Å; Y220-F360 HydrophobicContact CD1-CG 4.05Å; Y220-F360 HydrophobicContact CD2-CB 3.34Å; Y220-F360 HydrophobicContact CD2-CD1 4.2Å; Y220-F360 HydrophobicContact CD2-CD2 4.23Å; Y220-F360 AromaticContact CD2-CG 3.67Å; Y220-F360 HydrophobicContact CD2-CG 3.67Å; Y220-F360 HydrophobicContact CE1-CD1 4.19Å; Y220-F360 HydrophobicContact CE2-CB 3.61Å; Y220-F360 HydrophobicContact CE2-CG 4.26Å; Y220-F360 HydrophobicContact CG-CB 3.8Å; Y220-F360 AromaticContact CG-CD1 3.77Å; Y220-F360 HydrophobicContact CG-CD1 3.77Å; Y220-F360 AromaticContact CG-CD2 3.98Å; Y220-F360 HydrophobicContact CG-CD2 3.98Å; 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 3.46Å; N308-F360 HydrophobicContact CB-CE1 4.42Å; I310-F360 HydrophobicContact CD1-CE2 3.88Å; I310-F360 HydrophobicContact CD1-CZ 4.46Å; I310-F360 HydrophobicContact CG1-CD2 4.47Å; I310-F360 HydrophobicContact CG1-CE2 3.43Å; I310-F360 VanDerWaalsContact CG1-CE2 3.43Å; I310-F360 HydrophobicContact CG1-CZ 3.53Å; Y356-F360 HydrophobicContact CD1-CD2 4.44Å; Y356-F360 HydrophobicContact CD1-CE2 4.05Å; Y356-F360 HydrophobicContact CE1-CD2 4.07Å; Y356-F360 AromaticContact CE1-CE2 3.38Å; Y356-F360 HydrophobicContact CE1-CE2 3.38Å; Y356-F360 HydrophobicContact CE1-CZ 4.19Å; Y356-F360 HydrophobicContact CE2-CE2 4.21Å; Y356-F360 AromaticContact CZ-CE2 3.48Å; Y356-F360 VanDerWaalsContact CZ-CE2 3.48Å; Y356-F360 AromaticContact CZ-CZ 3.97Å; N357-F360 PolarHBondContact O-N 3.1Å; E358-F360 PolarHBondContact O-N 2.85Å; F360-W362 PolarHBondContact O-N 2.92Å; F360-W362 VanDerWaalsContact O-N 3.11Å; F360-H363 AromaticContact CD1-CE1 3.98Å; F360-H363 PolarHBondContact O-N 3.19Å
361A97.2Very high92Very high10 Ų1052.4 Ų52.48%0.08326%0.264CS..G310 helixtrans-60.4-21.8179.300000113K214 E358 H363 H365K214-A361 VanDerWaalsContact O-CB 3.28Å; K214-A361 WeakPolarHBondContact O-CB 3.08Å; E358-A361 VanDerWaalsContact O-CB 3.32Å; E358-A361 WeakPolarHBondContact O-CB 3.21Å; E358-A361 PolarHBondContact O-N 3.18Å; A361-H363 PolarHBondContact O-N 2.83Å; A361-H365 PolarHBondContact O-CD2 2.9Å; A361-H365 VanDerWaalsContact O-CD2 3.22Å
362W95.9Very high90.6Very high13 Ų1346.7 Ų46.75%0.04926%0.255CS..G310 helixtrans-73.6-19.6-179.966.2-93.6000114.8Y200 Y213 F305 P326 S329 Y359 F360 E364 H365 G366 I368Y200-W362 HydrophobicContact CD2-CE3 4.42Å; Y200-W362 AromaticContact CE2-CE3 3.9Å; Y200-W362 HydrophobicContact CE2-CE3 3.9Å; Y200-W362 HydrophobicContact CE2-CZ3 4.39Å; Y213-W362 HydrophobicContact CD2-CB 4.16Å; Y213-W362 HydrophobicContact CE2-CB 4.2Å; F305-W362 HydrophobicContact CB-CH2 4.13Å; F305-W362 HydrophobicContact CB-CZ2 3.99Å; F305-W362 AromaticContact CD1-CZ2 3.75Å; F305-W362 HydrophobicContact CD1-CZ2 3.75Å; F305-W362 HydrophobicContact CE1-CZ2 4.41Å; F305-W362 HydrophobicContact CG-CH2 4.42Å; F305-W362 AromaticContact CG-CZ2 3.95Å; F305-W362 HydrophobicContact CG-CZ2 3.95Å; P326-W362 HydrophobicContact CB-CB 3.63Å; P326-W362 HydrophobicContact CB-CD2 3.44Å; P326-W362 VanDerWaalsContact CB-CD2 3.44Å; P326-W362 HydrophobicContact CB-CE3 3.82Å; P326-W362 HydrophobicContact CB-CG 3.37Å; P326-W362 HydrophobicContact CG-CD2 3.56Å; P326-W362 HydrophobicContact CG-CE3 3.7Å; P326-W362 HydrophobicContact CG-CG 4.04Å; P326-W362 HydrophobicContact CG-CH2 4.2Å; P326-W362 HydrophobicContact CG-CZ2 4.03Å; P326-W362 HydrophobicContact CG-CZ3 4.04Å; S329-W362 VanDerWaalsContact CB-CD1 3.47Å; Y359-W362 PolarHBondContact O-NE1 3.11Å; F360-W362 PolarHBondContact O-N 2.92Å; F360-W362 VanDerWaalsContact O-N 3.11Å; W362-E364 PolarHBondContact O-N 2.78Å; W362-E364 VanDerWaalsContact O-N 3.12Å; W362-H365 PolarHBondContact O-N 2.95Å; W362-G366 PolarHBondContact O-N 3.42Å; W362-I368 HydrophobicContact CH2-CD1 3.45Å; W362-I368 VanDerWaalsContact CH2-CD1 3.45Å; W362-I368 HydrophobicContact CH2-CG1 4.07Å; W362-I368 HydrophobicContact CZ2-CD1 4.26Å; W362-I368 HydrophobicContact CZ3-CD1 4.02Å; W362-I368 HydrophobicContact CZ3-CG1 4.13Å
363H94.4Very high89.3Confident47 Ų4745.6 Ų45.622%0.21825%0.251CS..G310 helixtrans-58.2-28.5-172.7-88.440.1000114.6Y220 N308 F360 A361Y220-H363 AromaticContact CE1-CD2 3.67Å; Y220-H363 AromaticContact CE1-NE2 3.81Å; Y220-H363 AromaticContact CZ-CD2 3.49Å; Y220-H363 VanDerWaalsContact CZ-CD2 3.49Å; Y220-H363 AromaticContact CZ-CG 3.98Å; Y220-H363 PolarHBondContact OH-CD2 3.24Å; N308-H363 PolarHBondContact OD1-NE2 3.4Å; F360-H363 AromaticContact CD1-CE1 3.98Å; F360-H363 PolarHBondContact O-N 3.19Å; A361-H363 PolarHBondContact O-N 2.83Å
364E91.4Very high88.5Confident107 Ų10743 Ų4350%0.524%0.239SC..G310 helixtrans-91.41.7179.5-62.6179-172.500112.6S217 W362S217-E364 PolarHBondContact N-OE1 3.27Å; S217-E364 PolarHBondContact OG-OE1 3.32Å; W362-E364 PolarHBondContact O-N 2.78Å; W362-E364 VanDerWaalsContact O-N 3.12Å
365H93.8Very high88Confident55 Ų5539 Ų3926%0.25522%0.215SC..SBendtrans-131.910.9-166.9-59.2-56.2000114.5Y200 P202 S203 Y213 A361 W362Y200-H365 PolarHBondContact OH-O 3.21Å; P202-H365 WeakPolarHBondContact CA-O 3.45Å; S203-H365 PolarHBondContact N-O 3.22Å; S203-H365 VanDerWaalsContact OG-C 3.25Å; S203-H365 PolarHBondContact OG-O 2.94Å; Y213-H365 HydrophobicContact CD1-CB 3.91Å; Y213-H365 AromaticContact CD1-CD2 3.13Å; Y213-H365 WeakPolarHBondContact CD1-CD2 3.43Å; 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 4.34Å; Y213-H365 AromaticContact CD2-CD2 3.94Å; Y213-H365 HydrophobicContact CE1-CB 3.52Å; Y213-H365 AromaticContact CE1-CD2 3.73Å; Y213-H365 AromaticContact CE1-CG 3.58Å; Y213-H365 HydrophobicContact CE2-CB 3.99Å; Y213-H365 HydrophobicContact CG-CB 4.3Å; Y213-H365 AromaticContact CG-CD2 3.25Å; Y213-H365 AromaticContact CG-CG 3.96Å; Y213-H365 AromaticContact CG-NE2 3.97Å; A361-H365 PolarHBondContact O-CD2 2.9Å; A361-H365 VanDerWaalsContact O-CD2 3.22Å; W362-H365 PolarHBondContact O-N 2.95Å
366G91.9Very high87.6Confident7 Ų739.5 Ų39.57%0.07222%0.216CC..EExtended strand (participates in β ladder)trans178.6176.2173.200000112.3V201 S203 W362V201-G366 CarbonylContact O-C 3.58Å; V201-G366 WeakPolarHBondContact O-CA 3.36Å; S203-G366 PolarHBondContact OG-N 3.17Å; W362-G366 PolarHBondContact O-N 3.42Å
367T91.4Very high87Confident75 Ų7540.4 Ų40.446%0.4622%0.222SC..EExtended strand (participates in β ladder)trans-130.5150-176.550.80000110.6Y200 V201 A370Y200-T367 CarbonylContact C-O 3.58Å; Y200-T367 WeakPolarHBondContact CA-O 3.47Å; Y200-T367 WeakPolarHBondContact CD2-O 3.06Å; V201-T367 PolarHBondContact N-O 2.84Å; V201-T367 PolarHBondContact O-N 2.59Å; T367-A370 WeakPolarHBondContact OG1-CB 3.08Å
368I88.6Confident86.4Confident41 Ų4139.9 Ų39.921%0.2122%0.219CC..EExtended strand (participates in β ladder)trans-95.9144.5170.2-67.4175000108.2N199 Y200 F301 F305 W362 A370N199-I368 CarbonylContact O-C 3.5Å; N199-I368 VanDerWaalsContact O-CA 3.29Å; N199-I368 WeakPolarHBondContact O-CA 3.38Å; Y200-I368 HydrophobicContact CD2-CG1 4.45Å; F301-I368 HydrophobicContact CB-CG2 4.41Å; F301-I368 HydrophobicContact CD1-CD1 4.18Å; F301-I368 HydrophobicContact CD1-CG1 4.36Å; F301-I368 HydrophobicContact CD1-CG2 3.92Å; F305-I368 HydrophobicContact CB-CD1 3.2Å; F305-I368 HydrophobicContact CD2-CD1 3.64Å; F305-I368 HydrophobicContact CG-CD1 3.73Å; W362-I368 HydrophobicContact CH2-CD1 3.45Å; W362-I368 VanDerWaalsContact CH2-CD1 3.45Å; W362-I368 HydrophobicContact CH2-CG1 4.07Å; W362-I368 HydrophobicContact CZ2-CD1 4.26Å; W362-I368 HydrophobicContact CZ3-CD1 4.02Å; W362-I368 HydrophobicContact CZ3-CG1 4.13Å; I368-A370 PolarHBondContact O-N 2.75Å
369D79.6Confident86.1Confident75 Ų7535.6 Ų35.640%0.40120%0.2SC..SBendtrans58.131.1177.7-57.9-26.4000114H198 N199 W371H198-D369 VanDerWaalsContact CA-OD1 3.31Å; H198-D369 WeakPolarHBondContact CA-OD1 3.37Å; H198-D369 VanDerWaalsContact CB-OD1 3.22Å; H198-D369 WeakPolarHBondContact CB-OD1 3.46Å; H198-D369 IonicContact CE1-OD1 3.46Å; H198-D369 IonicContact CE1-OD2 3.84Å; H198-D369 PolarHBondContact CE1-OD2 2.61Å; H198-D369 IonicContact CG-OD1 3.81Å; H198-D369 IonicContact CG-OD2 3.34Å; H198-D369 IonicContact ND1-OD1 2.68Å; H198-D369 PolarHBondContact ND1-OD1 2.77Å; H198-D369 IonicContact ND1-OD2 3.06Å; H198-D369 PolarHBondContact ND1-OD2 3.37Å; N199-D369 PolarHBondContact N-OD1 2.8Å; N199-D369 PolarHBondContact O-N 3.05Å; D369-W371 PolarHBondContact O-N 2.72Å; D369-W371 VanDerWaalsContact O-N 3.14Å
370A61.2Low85.7Confident59 Ų5935.3 Ų35.349%0.48820%0.198SC..  trans-63.3-17172.500000112.6V201 T367 I368V201-A370 HydrophobicContact CB-CB 4.02Å; V201-A370 HydrophobicContact CG2-CB 3.72Å; T367-A370 WeakPolarHBondContact OG1-CB 3.08Å; I368-A370 PolarHBondContact O-N 2.75Å
371W66Low85.1Confident55 Ų5535.2 Ų35.221%0.20820%0.198CC..  trans-124.4120.7-178168.347000109.8E77 N78 Y194 P196 N199 D369 P373E77-W371 VanDerWaalsContact O-CZ2 3.23Å; E77-W371 WeakPolarHBondContact O-CZ2 3.25Å; E77-W371 PolarHBondContact O-NE1 2.81Å; N78-W371 HydrophobicContact CB-CZ2 4.32Å; Y194-W371 HydrophobicContact CD1-CH2 4.28Å; Y194-W371 HydrophobicContact CD1-CZ3 4.14Å; Y194-W371 HydrophobicContact CE1-CZ3 4.31Å; Y194-W371 WeakPolarHBondContact O-CH2 3.36Å; P196-W371 HydrophobicContact CG-CZ3 3.89Å; N199-W371 HydrophobicContact CB-CE3 4.3Å; N199-W371 PolarHBondContact OD1-O 3.38Å; N199-W371 VanDerWaalsContact OD1-O 3.1Å; D369-W371 PolarHBondContact O-N 2.72Å; D369-W371 VanDerWaalsContact O-N 3.14Å; W371-P373 HydrophobicContact CH2-CB 3.98Å; W371-P373 HydrophobicContact CH2-CG 4.31Å; W371-P373 HydrophobicContact CZ2-CB 3.46Å; W371-P373 VanDerWaalsContact CZ2-CB 3.46Å; W371-P373 HydrophobicContact CZ2-CG 4.12Å; W371-P373 VanDerWaalsContact O-CD 3.27Å; W371-P373 WeakPolarHBondContact O-CD 3.32Å
372S68.5Low84.8Confident84 Ų8434.8 Ų34.859%0.58719%0.194SC*.  trans-100.7101.6172.6177.50000109.2M374S372-M374 PolarHBondContact O-N 2.61Å
373P70.9Confident84.6Confident29 Ų2934.7 Ų34.719%0.18820%0.196CC..  trans-58.3131.9175.216.8-27.7000112.8E77 N78 L195 W371 P375E77-P373 WeakPolarHBondContact O-CA 2.99Å; N78-P373 WeakPolarHBondContact OD1-CB 3.43Å; L195-P373 HydrophobicContact CD1-CB 3.28Å; L195-P373 HydrophobicContact CD1-CG 3.34Å; W371-P373 HydrophobicContact CH2-CB 3.98Å; W371-P373 HydrophobicContact CH2-CG 4.31Å; W371-P373 HydrophobicContact CZ2-CB 3.46Å; W371-P373 VanDerWaalsContact CZ2-CB 3.46Å; W371-P373 HydrophobicContact CZ2-CG 4.12Å; W371-P373 VanDerWaalsContact O-CD 3.27Å; W371-P373 WeakPolarHBondContact O-CD 3.32Å; P373-P375 VanDerWaalsContact C-CD 3.46Å; P373-P375 WeakPolarHBondContact O-CD 3.44Å
374M80.9Confident84.4Confident45 Ų4533.8 Ų33.822%0.22219%0.192CC..  trans-11375.8173.9-75.3-173.3-156.300111.3E77 N78 F121 S372 Q376 C377E77-M374 WeakPolarHBondContact OE1-CE 3.49Å; E77-M374 WeakPolarHBondContact OE2-CB 3.34Å; E77-M374 WeakPolarHBondContact OE2-CE 3.35Å; E77-M374 WeakPolarHBondContact OE2-CG 3.49Å; N78-M374 PolarHBondContact ND2-N 2.61Å; N78-M374 PolarHBondContact ND2-O 2.87Å; N78-M374 PolarHBondContact OD1-N 2.88Å; F121-M374 HydrophobicContact CD2-CE 4.45Å; F121-M374 HydrophobicContact CD2-SD 3.51Å; F121-M374 VanDerWaalsContact CD2-SD 3.51Å; F121-M374 HydrophobicContact CE2-CE 4.35Å; F121-M374 HydrophobicContact CE2-CG 4.21Å; F121-M374 HydrophobicContact CE2-SD 3.17Å; F121-M374 WeakPolarHBondContact CE2-SD 2.95Å; F121-M374 HydrophobicContact CZ-SD 4.14Å; S372-M374 PolarHBondContact O-N 2.61Å; M374-Q376 PolarHBondContact O-N 2.85Å; M374-Q376 VanDerWaalsContact O-N 3.15Å; M374-C377 HydrophobicContact CB-CB 4.35Å; M374-C377 PolarHBondContact O-N 2.86Å
375P87.7Confident84.1Confident0 Ų028.8 Ų28.80%017%0.169CC..Hα-helixtrans-59.2-30.8-175.821.1-31.3000112.5I115 F163 I185 L195 P373 C377 V378 I379I115-P375 HydrophobicContact CD1-CG 3.51Å; I115-P375 HydrophobicContact CG1-CG 4.22Å; F163-P375 HydrophobicContact CE2-CB 3.94Å; F163-P375 HydrophobicContact CE2-CG 3.87Å; F163-P375 HydrophobicContact CZ-CG 4.37Å; I185-P375 HydrophobicContact CD1-CB 4.32Å; I185-P375 HydrophobicContact CG2-CB 4.15Å; L195-P375 HydrophobicContact CD1-CG 4.21Å; L195-P375 HydrophobicContact CD2-CG 4.13Å; P373-P375 VanDerWaalsContact C-CD 3.46Å; P373-P375 WeakPolarHBondContact O-CD 3.44Å; P375-C377 VanDerWaalsContact C-N 3.26Å; P375-C377 PolarHBondContact O-N 3.35Å; P375-V378 PolarHBondContact O-N 3.01Å; P375-I379 HydrophobicContact CB-CD1 4.44Å; P375-I379 WeakPolarHBondContact O-CB 3.31Å; P375-I379 WeakPolarHBondContact O-CD1 3.27Å; P375-I379 WeakPolarHBondContact O-CG1 3.11Å; P375-I379 PolarHBondContact O-N 3.2Å
376Q88.4Confident83.8Confident14 Ų1426.9 Ų26.97%0.06516%0.162CC..Hα-helixtrans-54.1-39.8173.962.5-79.88.700113.3I115 I116 F119 F121 M374 C380I115-Q376 PolarHBondContact O-OE1 2.74Å; I116-Q376 HydrophobicContact CB-CB 4.16Å; I116-Q376 HydrophobicContact CG1-CB 4.13Å; I116-Q376 HydrophobicContact CG2-CB 3.77Å; F119-Q376 HydrophobicContact CD1-CB 3.98Å; F119-Q376 WeakPolarHBondContact CD1-O 3.48Å; F119-Q376 HydrophobicContact CE1-CB 3.7Å; F119-Q376 VanDerWaalsContact CE1-O 3.3Å; F119-Q376 WeakPolarHBondContact CE1-O 3.4Å; F119-Q376 HydrophobicContact CZ-CB 4.42Å; F121-Q376 HydrophobicContact CE2-CG 4.13Å; F121-Q376 HydrophobicContact CZ-CG 4.01Å; F121-Q376 VanDerWaalsContact CZ-NE2 3.31Å; M374-Q376 PolarHBondContact O-N 2.85Å; M374-Q376 VanDerWaalsContact O-N 3.15Å; Q376-C380 WeakPolarHBondContact O-CB 3.22Å; Q376-C380 PolarHBondContact O-N 3.16Å
377C86.2Confident83.5Confident19 Ų1932.7 Ų32.713%0.12819%0.187CC..Hα-helixtrans-72-39.7-178.4-64.30000111.6F121 C122 M374 P375 L381F121-C377 WeakPolarHBondContact CE2-SG 3.37Å; C122-C377 WeakPolarHBondContact CA-SG 3.49Å; C122-C377 HydrophobicContact CB-CB 3.64Å; C122-C377 WeakPolarHBondContact CB-SG 3.43Å; C122-C377 WeakPolarHBondContact SG-CA 3.38Å; C122-C377 WeakPolarHBondContact SG-CB 3.09Å; C122-C377 CovalentContact SG-SG 2.05Å; C122-C377 PolarHBondContact SG-SG 2.83Å; M374-C377 HydrophobicContact CB-CB 4.35Å; M374-C377 PolarHBondContact O-N 2.86Å; P375-C377 VanDerWaalsContact C-N 3.26Å; P375-C377 PolarHBondContact O-N 3.35Å; C377-L381 VanDerWaalsContact O-CB 3.24Å; C377-L381 WeakPolarHBondContact O-CB 3.11Å; C377-L381 PolarHBondContact O-N 3.29Å
378V85.8Confident83.1Confident1 Ų134.8 Ų34.81%0.00619%0.19CC..Hα-helixtrans-72.4-37.8177.6175.80000111.5N78 I80 I193 P375 L381 L382N78-V378 HydrophobicContact CB-CG2 3.93Å; N78-V378 VanDerWaalsContact ND2-CG2 3.3Å; N78-V378 WeakPolarHBondContact ND2-CG2 3.28Å; I80-V378 HydrophobicContact CD1-CG1 3.75Å; I80-V378 HydrophobicContact CD1-CG2 4.2Å; I80-V378 HydrophobicContact CG1-CG1 4.13Å; I193-V378 HydrophobicContact CD1-CB 4.25Å; I193-V378 HydrophobicContact CD1-CG1 3.44Å; I193-V378 VanDerWaalsContact CD1-CG1 3.44Å; I193-V378 HydrophobicContact CG1-CG1 3.98Å; P375-V378 PolarHBondContact O-N 3.01Å; V378-L381 PolarHBondContact O-N 3.43Å; V378-L382 HydrophobicContact CG1-CD1 3.86Å; V378-L382 HydrophobicContact CG1-CG 4.29Å; V378-L382 WeakPolarHBondContact O-CB 3.44Å; V378-L382 VanDerWaalsContact O-CG 3.27Å; V378-L382 WeakPolarHBondContact O-CG 3.4Å; V378-L382 PolarHBondContact O-N 3.29Å
379I91.8Very high82.7Confident0 Ų034.4 Ų34.40%019%0.189CC..Hα-helixtrans-60.2-49.7173.4-66.2159.5000110.1I105 I116 V141 I143 F161 I185 P375 L381 L382 A383I105-I379 HydrophobicContact CD1-CG2 3.76Å; I105-I379 HydrophobicContact CG1-CG2 4.33Å; I105-I379 HydrophobicContact CG2-CG2 4.31Å; I116-I379 HydrophobicContact CD1-CD1 3.41Å; I116-I379 VanDerWaalsContact CD1-CD1 3.41Å; I116-I379 HydrophobicContact CG1-CD1 4.34Å; V141-I379 HydrophobicContact CG1-CG2 4.14Å; I143-I379 HydrophobicContact CD1-CD1 3.89Å; I143-I379 HydrophobicContact CD1-CG2 4.4Å; F161-I379 HydrophobicContact CD1-CG1 4.1Å; F161-I379 HydrophobicContact CE1-CB 4.45Å; F161-I379 HydrophobicContact CE1-CG1 3.83Å; F161-I379 HydrophobicContact CZ-CG1 4.37Å; F161-I379 HydrophobicContact CZ-CG2 4.29Å; I185-I379 HydrophobicContact CD1-CD1 3.64Å; I185-I379 HydrophobicContact CD1-CG1 3.59Å; P375-I379 HydrophobicContact CB-CD1 4.44Å; P375-I379 WeakPolarHBondContact O-CB 3.31Å; P375-I379 WeakPolarHBondContact O-CD1 3.27Å; P375-I379 WeakPolarHBondContact O-CG1 3.11Å; P375-I379 PolarHBondContact O-N 3.2Å; I379-L381 PolarHBondContact O-N 2.85Å; I379-L382 PolarHBondContact O-N 2.79Å; I379-A383 WeakPolarHBondContact O-CB 3.26Å; I379-A383 PolarHBondContact O-N 3.02Å
380C90.2Very high82.8Confident0 Ų039.7 Ų39.70%021%0.208CC..Hα-helixtrans-65.4-40.3-178.9-171.70000111.8F119 A124 C127 Q376 L382 A383 H384F119-C380 HydrophobicContact CD1-CB 3.66Å; F119-C380 HydrophobicContact CE1-CB 3.96Å; A124-C380 VanDerWaalsContact C-SG 3.6Å; A124-C380 PolarHBondContact O-SG 2.86Å; C127-C380 HydrophobicContact CB-CB 3.9Å; C127-C380 WeakPolarHBondContact CB-SG 3.41Å; C127-C380 WeakPolarHBondContact SG-CA 3.38Å; C127-C380 WeakPolarHBondContact SG-CB 3.36Å; C127-C380 CovalentContact SG-SG 2.03Å; C127-C380 PolarHBondContact SG-SG 2.92Å; Q376-C380 WeakPolarHBondContact O-CB 3.22Å; Q376-C380 PolarHBondContact O-N 3.16Å; C380-L382 PolarHBondContact O-N 3.14Å; C380-A383 WeakPolarHBondContact O-CB 3.16Å; C380-A383 PolarHBondContact O-N 3.45Å; C380-H384 PolarHBondContact O-CD2 3.31Å; C380-H384 VanDerWaalsContact O-CD2 3.3Å; C380-H384 PolarHBondContact O-N 3.4Å; C380-H384 VanDerWaalsContact O-N 3.16Å
381L86.5Confident83.9Confident4 Ų442.8 Ų42.82%0.02122%0.223CC..Hα-helixtrans-56.5-51.8172.5-179.966.7000111.2L92 Y93 F123 A124 C377 V378 I379 A383 H384 T385L92-L381 HydrophobicContact CB-CD2 4.39Å; Y93-L381 HydrophobicContact CD1-CD1 4.36Å; Y93-L381 HydrophobicContact CD1-CD2 4.23Å; Y93-L381 HydrophobicContact CD2-CD2 4.39Å; Y93-L381 HydrophobicContact CE1-CD1 4.38Å; Y93-L381 HydrophobicContact CE1-CD2 3.65Å; Y93-L381 HydrophobicContact CE2-CD2 3.81Å; Y93-L381 VanDerWaalsContact CZ-CD2 3.41Å; F123-L381 HydrophobicContact CD1-CD1 4.35Å; A124-L381 HydrophobicContact CB-CB 4.4Å; A124-L381 HydrophobicContact CB-CD1 4.35Å; C377-L381 VanDerWaalsContact O-CB 3.24Å; C377-L381 WeakPolarHBondContact O-CB 3.11Å; C377-L381 PolarHBondContact O-N 3.29Å; V378-L381 PolarHBondContact O-N 3.43Å; I379-L381 PolarHBondContact O-N 2.85Å; L381-A383 VanDerWaalsContact C-N 3.33Å; L381-A383 PolarHBondContact O-N 3.31Å; L381-H384 PolarHBondContact O-N 3.02Å; L381-H384 VanDerWaalsContact O-N 3.14Å; L381-T385 HydrophobicContact CD1-CG2 4.08Å; L381-T385 WeakPolarHBondContact O-CB 3.4Å; L381-T385 WeakPolarHBondContact O-CG2 3.44Å; L381-T385 PolarHBondContact O-N 3.3Å; L381-T385 PolarHBondContact O-OG1 3.48Å
382L89.4Confident84.8Confident1 Ų144.2 Ų44.21%0.00523%0.229CC..Hα-helixtrans-64-36.8179.9-71.3171.9000112F161 Y183 I193 V378 I379 C380 H384 T385 A386 L389F161-L382 HydrophobicContact CE1-CD1 3.99Å; F161-L382 HydrophobicContact CZ-CB 4.04Å; F161-L382 HydrophobicContact CZ-CD1 3.89Å; Y183-L382 HydrophobicContact CD1-CD1 4.45Å; Y183-L382 HydrophobicContact CD2-CD1 3.93Å; Y183-L382 HydrophobicContact CE1-CD1 4.47Å; Y183-L382 HydrophobicContact CE2-CB 4.21Å; Y183-L382 HydrophobicContact CE2-CD1 3.94Å; Y183-L382 HydrophobicContact CE2-CD2 4.34Å; Y183-L382 HydrophobicContact CE2-CG 4.4Å; Y183-L382 HydrophobicContact CG-CD1 4.16Å; I193-L382 HydrophobicContact CD1-CD1 4.15Å; V378-L382 HydrophobicContact CG1-CD1 3.86Å; V378-L382 HydrophobicContact CG1-CG 4.29Å; V378-L382 WeakPolarHBondContact O-CB 3.44Å; V378-L382 VanDerWaalsContact O-CG 3.27Å; V378-L382 WeakPolarHBondContact O-CG 3.4Å; V378-L382 PolarHBondContact O-N 3.29Å; I379-L382 PolarHBondContact O-N 2.79Å; C380-L382 PolarHBondContact O-N 3.14Å; L382-H384 PolarHBondContact O-N 3.49Å; L382-T385 PolarHBondContact O-N 2.9Å; L382-A386 WeakPolarHBondContact O-CB 3.43Å; L382-A386 PolarHBondContact O-N 2.62Å; L382-L389 HydrophobicContact CD2-CD1 4.11Å
383A92.4Very high85.8Confident10 Ų1042.9 Ų42.98%0.08322%0.217CC..Hα-helixtrans-56.9-38.9173.600000112.3K103 V141 I379 C380 L381K103-A383 HydrophobicContact CB-CB 4.02Å; K103-A383 WeakPolarHBondContact CE-O 3.09Å; K103-A383 HydrophobicContact CG-CB 3.99Å; V141-A383 HydrophobicContact CG2-CB 3.55Å; I379-A383 WeakPolarHBondContact O-CB 3.26Å; I379-A383 PolarHBondContact O-N 3.02Å; C380-A383 WeakPolarHBondContact O-CB 3.16Å; C380-A383 PolarHBondContact O-N 3.45Å; L381-A383 VanDerWaalsContact C-N 3.33Å; L381-A383 PolarHBondContact O-N 3.31Å
384H89.3Confident86.8Confident28 Ų2842.2 Ų42.213%0.1321%0.212CC..Hα-helixtrans-83.5-20.4179.5-81.3-71.8000114.1K103 D126 C380 L381 L382 H387K103-H384 VanDerWaalsContact CG-CE1 3.4Å; K103-H384 WeakPolarHBondContact CG-CE1 3.45Å; K103-H384 WeakPolarHBondContact CG-NE2 3.05Å; D126-H384 PolarHBondContact O-NE2 3.05Å; C380-H384 PolarHBondContact O-CD2 3.31Å; C380-H384 VanDerWaalsContact O-CD2 3.3Å; C380-H384 PolarHBondContact O-N 3.4Å; C380-H384 VanDerWaalsContact O-N 3.16Å; L381-H384 PolarHBondContact O-N 3.02Å; L381-H384 VanDerWaalsContact O-N 3.14Å; L382-H384 PolarHBondContact O-N 3.49Å; H384-H387 PolarHBondContact O-CE1 3.41Å; H384-H387 PolarHBondContact O-ND1 3.38Å
385T86.1Confident87.2Confident3 Ų343.3 Ų43.32%0.01822%0.222CC..Hα-helixtrans-125.4-16-165.858.30000115.3L92 V95 L381 L382 H387 K388L92-T385 VanDerWaalsContact CD2-CB 3.47Å; L92-T385 HydrophobicContact CD2-CG2 4.13Å; L92-T385 WeakPolarHBondContact CD2-OG1 3.5Å; V95-T385 HydrophobicContact CB-CG2 4.21Å; V95-T385 HydrophobicContact CG1-CG2 4.39Å; V95-T385 HydrophobicContact CG2-CG2 4.26Å; L381-T385 HydrophobicContact CD1-CG2 4.08Å; L381-T385 WeakPolarHBondContact O-CB 3.4Å; L381-T385 WeakPolarHBondContact O-CG2 3.44Å; L381-T385 PolarHBondContact O-N 3.3Å; L381-T385 PolarHBondContact O-OG1 3.48Å; L382-T385 PolarHBondContact O-N 2.9Å; T385-H387 PolarHBondContact O-N 3.43Å; T385-H387 VanDerWaalsContact O-N 3.08Å; T385-K388 VanDerWaalsContact O-CB 3.32Å; T385-K388 WeakPolarHBondContact O-CB 3.25Å; T385-K388 PolarHBondContact O-N 3.47Å
386A87.5Confident87.4Confident14 Ų1447.1 Ų47.112%0.11624%0.242CC..G310 helixtrans-59.9-28.1-17300000114.1L159 L382 K388 L389L159-A386 HydrophobicContact CD1-CB 3.67Å; L159-A386 HydrophobicContact CD2-CB 3.88Å; L159-A386 HydrophobicContact CG-CB 4.37Å; L382-A386 WeakPolarHBondContact O-CB 3.43Å; L382-A386 PolarHBondContact O-N 2.62Å; A386-K388 PolarHBondContact O-N 2.87Å; A386-L389 WeakPolarHBondContact O-CB 3.33Å; A386-L389 PolarHBondContact O-N 3.17Å
387H85.7Confident87.7Confident129 Ų12946.4 Ų46.460%0.59724%0.239SC*.G310 helixtrans-65.3-17.7175.167.3-90.2000113.7H384 T385H384-H387 PolarHBondContact O-CE1 3.41Å; H384-H387 PolarHBondContact O-ND1 3.38Å; T385-H387 PolarHBondContact O-N 3.43Å; T385-H387 VanDerWaalsContact O-N 3.08Å
388K82Confident88.1Confident119 Ų11945.6 Ų45.652%0.51723%0.234SC..G310 helixtrans-89.4-16.4174.9-53.6-173.7178.5-175.30112.2V95 T385 A386V95-K388 HydrophobicContact CG2-CD 4.05Å; T385-K388 VanDerWaalsContact O-CB 3.32Å; T385-K388 WeakPolarHBondContact O-CB 3.25Å; T385-K388 PolarHBondContact O-N 3.47Å; A386-K388 PolarHBondContact O-N 2.87Å
389L81Confident88.5Confident34 Ų3451.7 Ų51.718%0.17826%0.26CS..SBendtrans-85.4159.1177.9-60.1179.4000110.2F84 L92 L382 A386F84-L389 HydrophobicContact CE1-CD1 3.89Å; F84-L389 HydrophobicContact CE1-CD2 3.79Å; F84-L389 HydrophobicContact CE1-CG 4.44Å; F84-L389 HydrophobicContact CZ-CD1 3.5Å; F84-L389 VanDerWaalsContact CZ-CD1 3.5Å; F84-L389 HydrophobicContact CZ-CD2 4.24Å; F84-L389 HydrophobicContact CZ-CG 4.49Å; L92-L389 HydrophobicContact CD2-CD1 4.14Å; L92-L389 HydrophobicContact CD2-CD2 3.9Å; L92-L389 HydrophobicContact CD2-CG 4.16Å; L92-L389 HydrophobicContact CG-CD2 4.35Å; L382-L389 HydrophobicContact CD2-CD1 4.11Å; A386-L389 WeakPolarHBondContact O-CB 3.33Å; A386-L389 PolarHBondContact O-N 3.17Å
390K81.2Confident88.6Confident185 Ų18553.4 Ų53.480%0.80427%0.267SS*.PPolyproline II helixtrans-58131.8166.3-174.6179178.7-1790108.6Y392K390-Y392 PolarHBondContact O-N 2.91Å; K390-Y392 VanDerWaalsContact O-N 3.17Å
391P83.6Confident88.9Confident125 Ų12553.4 Ų53.481%0.81227%0.267SS*.PPolyproline II helixtrans-51125.6173.8-28.435.3000110.9
392Y84.9Confident89.3Confident84 Ų8454.1 Ų54.133%0.32927%0.271SS..  trans-129.6142-178176.2-96.3000110.4L82 N182 Y183 K390 F394L82-Y392 HydrophobicContact CD2-CD1 3.5Å; L82-Y392 HydrophobicContact CD2-CD2 4.35Å; L82-Y392 HydrophobicContact CD2-CE1 3.46Å; L82-Y392 VanDerWaalsContact CD2-CE1 3.46Å; L82-Y392 HydrophobicContact CD2-CE2 4.31Å; L82-Y392 HydrophobicContact CD2-CG 3.96Å; N182-Y392 PolarHBondContact ND2-O 3.35Å; N182-Y392 WeakPolarHBondContact O-CD1 3.32Å; N182-Y392 WeakPolarHBondContact O-CE1 3.16Å; Y183-Y392 HydrophobicContact CD1-CD1 4.26Å; Y183-Y392 HydrophobicContact CE1-CD1 4.11Å; K390-Y392 PolarHBondContact O-N 2.91Å; K390-Y392 VanDerWaalsContact O-N 3.17Å; Y392-F394 HydrophobicContact CE1-CB 4.41Å
393T89.9Confident89.6Confident56 Ų5657.7 Ų57.734%0.34429%0.29SS..  trans-138.9131.6178.1-67.20000108.3N179 I181 P395N179-T393 HydrophobicContact CB-CG2 3.76Å; N179-T393 WeakPolarHBondContact O-CG2 3.39Å; I181-T393 CarbonylContact O-C 3.44Å; I181-T393 WeakPolarHBondContact O-CA 3.32Å; I181-T393 WeakPolarHBondContact O-CG2 3.05Å; T393-P395 WeakPolarHBondContact O-CD 3.49Å
394F91.9Very high89.8Confident15 Ų1557.7 Ų57.77%0.06629%0.29CS..  trans-72.3118.9175.2-160.7-78.5000110I181 T184 Y392 V397 W400I181-F394 PolarHBondContact O-N 3.34Å; T184-F394 HydrophobicContact CG2-CB 4.32Å; T184-F394 HydrophobicContact CG2-CD1 4.22Å; T184-F394 HydrophobicContact CG2-CD2 3.84Å; T184-F394 HydrophobicContact CG2-CE2 4.2Å; T184-F394 HydrophobicContact CG2-CG 3.85Å; T184-F394 WeakPolarHBondContact OG1-CE2 3.39Å; Y392-F394 HydrophobicContact CE1-CB 4.41Å; F394-V397 HydrophobicContact CD1-CB 3.96Å; F394-V397 HydrophobicContact CD1-CG2 3.86Å; F394-V397 HydrophobicContact CE1-CG2 4.46Å; F394-V397 HydrophobicContact CG-CG2 4.45Å; F394-W400 HydrophobicContact CE1-CB 4.14Å; F394-W400 AromaticContact CE1-CD2 3.5Å; F394-W400 HydrophobicContact CE1-CD2 3.5Å; F394-W400 AromaticContact CE1-CE2 3.93Å; F394-W400 AromaticContact CE1-CE3 3.75Å; F394-W400 HydrophobicContact CE1-CE3 3.75Å; F394-W400 AromaticContact CE1-CG 3.68Å; F394-W400 HydrophobicContact CE1-CG 3.68Å; F394-W400 HydrophobicContact CE1-CZ3 4.35Å; F394-W400 AromaticContact CZ-CD2 3.69Å; F394-W400 HydrophobicContact CZ-CD2 3.69Å; F394-W400 AromaticContact CZ-CE2 3.58Å; F394-W400 HydrophobicContact CZ-CE3 4.08Å; F394-W400 HydrophobicContact CZ-CG 4.1Å; F394-W400 HydrophobicContact CZ-CH2 4.25Å; F394-W400 AromaticContact CZ-CZ2 3.88Å; F394-W400 HydrophobicContact CZ-CZ2 3.88Å; F394-W400 HydrophobicContact CZ-CZ3 4.35Å; F394-W400 AromaticContact CZ-NE1 3.88Å
395P90.8Very high90.1Very high69 Ų6957.1 Ų57.145%0.44829%0.289SS..THydrogen-bonded Turntrans-71.5142.5-174.829.2-34.8000111.5T393 V397T393-P395 WeakPolarHBondContact O-CD 3.49Å; P395-V397 PolarHBondContact O-N 3.08Å
396N91.7Very high90.6Very high79 Ų7962.2 Ų62.242%0.42232%0.32SS..THydrogen-bonded Turntrans47.539.2168.9-59.8-34.5000114.7S398 K399 W400N396-S398 VanDerWaalsContact C-N 3.32Å; N396-S398 PolarHBondContact O-N 3.34Å; N396-K399 PolarHBondContact O-N 2.87Å; N396-K399 VanDerWaalsContact O-N 3.1Å; N396-W400 PolarHBondContact O-N 3.07Å
397V94.2Very high90.9Very high0 Ų064.8 Ų64.80%035%0.348CS..Hα-helixtrans-57.6-38.9-167.471.70000114.3I162 L177 I181 T184 F394 P395 W400 W401I162-V397 HydrophobicContact CD1-CB 4.49Å; I162-V397 HydrophobicContact CD1-CG1 4.26Å; I162-V397 HydrophobicContact CD1-CG2 3.46Å; I162-V397 VanDerWaalsContact CD1-CG2 3.46Å; L177-V397 HydrophobicContact CB-CG1 4.02Å; I181-V397 HydrophobicContact CB-CB 4.36Å; I181-V397 HydrophobicContact CB-CG1 4.1Å; I181-V397 HydrophobicContact CB-CG2 4.22Å; I181-V397 HydrophobicContact CG1-CB 4.33Å; I181-V397 HydrophobicContact CG1-CG1 3.59Å; I181-V397 HydrophobicContact CG1-CG2 4.26Å; I181-V397 HydrophobicContact CG2-CG2 4.34Å; T184-V397 HydrophobicContact CG2-CG2 3.79Å; F394-V397 HydrophobicContact CD1-CB 3.96Å; F394-V397 HydrophobicContact CD1-CG2 3.86Å; F394-V397 HydrophobicContact CE1-CG2 4.46Å; F394-V397 HydrophobicContact CG-CG2 4.45Å; P395-V397 PolarHBondContact O-N 3.08Å; V397-W400 HydrophobicContact CG2-CE3 4.09Å; V397-W400 HydrophobicContact CG2-CZ3 4.43Å; V397-W400 PolarHBondContact O-N 3.2Å; V397-W401 WeakPolarHBondContact O-CB 3.32Å; V397-W401 PolarHBondContact O-N 3.44Å
398S94.6Very high91.3Very high2 Ų260.8 Ų60.81%0.01433%0.328CS..Hα-helixtrans-63.4-46.1178.5-47.30000110.9A174 N396 N402A174-S398 WeakPolarHBondContact O-CB 3.42Å; A174-S398 PolarHBondContact O-OG 3.23Å; N396-S398 VanDerWaalsContact C-N 3.32Å; N396-S398 PolarHBondContact O-N 3.34Å; S398-N402 WeakPolarHBondContact O-CB 3.37Å; S398-N402 PolarHBondContact O-N 3.05Å; S398-N402 PolarHBondContact O-ND2 2.82Å
399K94.2Very high91.8Very high128 Ų12863.3 Ų63.356%0.55734%0.339SS*.Hα-helixtrans-65.8-49.9176.5-174.9179.5179.3173.90111.2N396 W401 N402 D403N396-K399 PolarHBondContact O-N 2.87Å; N396-K399 VanDerWaalsContact O-N 3.1Å; K399-W401 VanDerWaalsContact C-N 3.26Å; K399-W401 PolarHBondContact O-N 3Å; K399-N402 PolarHBondContact O-N 3.21Å; K399-D403 WeakPolarHBondContact CE-OD2 2.77Å; K399-D403 WeakPolarHBondContact CG-OD2 3.41Å; K399-D403 WeakPolarHBondContact O-CB 3.3Å; K399-D403 PolarHBondContact O-N 2.96Å
400W94.2Very high92.5Very high37 Ų3762.3 Ų62.314%0.1433%0.333CS..Hα-helixtrans-50.7-48.3178.2165.480.1000111.6T184 T186 R188 D190 F394 N396 V397T184-W400 HydrophobicContact CG2-CH2 4.19Å; T184-W400 HydrophobicContact CG2-CZ3 3.78Å; T186-W400 HydrophobicContact CG2-CH2 3.65Å; T186-W400 HydrophobicContact CG2-CZ3 4.43Å; R188-W400 HydrophobicContact CB-CH2 4.43Å; R188-W400 HydrophobicContact CB-CZ2 3.97Å; R188-W400 HydrophobicContact CG-CZ2 4.42Å; R188-W400 VanDerWaalsContact CZ-NE1 3.28Å; R188-W400 PolarHBondContact NH1-O 2.75Å; D190-W400 WeakPolarHBondContact OD1-CZ2 3.5Å; D190-W400 PolarHBondContact OD1-NE1 3.24Å; D190-W400 PolarHBondContact OD2-NE1 3.04Å; F394-W400 HydrophobicContact CE1-CB 4.14Å; F394-W400 AromaticContact CE1-CD2 3.5Å; F394-W400 HydrophobicContact CE1-CD2 3.5Å; F394-W400 AromaticContact CE1-CE2 3.93Å; F394-W400 AromaticContact CE1-CE3 3.75Å; F394-W400 HydrophobicContact CE1-CE3 3.75Å; F394-W400 AromaticContact CE1-CG 3.68Å; F394-W400 HydrophobicContact CE1-CG 3.68Å; F394-W400 HydrophobicContact CE1-CZ3 4.35Å; F394-W400 AromaticContact CZ-CD2 3.69Å; F394-W400 HydrophobicContact CZ-CD2 3.69Å; F394-W400 AromaticContact CZ-CE2 3.58Å; F394-W400 HydrophobicContact CZ-CE3 4.08Å; F394-W400 HydrophobicContact CZ-CG 4.1Å; F394-W400 HydrophobicContact CZ-CH2 4.25Å; F394-W400 AromaticContact CZ-CZ2 3.88Å; F394-W400 HydrophobicContact CZ-CZ2 3.88Å; F394-W400 HydrophobicContact CZ-CZ3 4.35Å; F394-W400 AromaticContact CZ-NE1 3.88Å; N396-W400 PolarHBondContact O-N 3.07Å; V397-W400 HydrophobicContact CG2-CE3 4.09Å; V397-W400 HydrophobicContact CG2-CZ3 4.43Å; V397-W400 PolarHBondContact O-N 3.2Å
401W95.6Very high93.2Very high0 Ų059.5 Ų59.50%032%0.318CS..Hα-helixtrans-73.4-56.8179.4179.5-101.6000112.6V164 E166 P168 I171 I173 T186 Y187 R188 V397 K399 D403 G404V164-W401 HydrophobicContact CB-CH2 4.06Å; V164-W401 HydrophobicContact CB-CZ2 3.77Å; V164-W401 HydrophobicContact CG2-CD2 3.9Å; V164-W401 HydrophobicContact CG2-CE3 3.92Å; V164-W401 HydrophobicContact CG2-CH2 3.38Å; V164-W401 HydrophobicContact CG2-CZ2 3.33Å; V164-W401 HydrophobicContact CG2-CZ3 3.7Å; E166-W401 VanDerWaalsContact O-CH2 3.3Å; E166-W401 WeakPolarHBondContact O-CH2 3.2Å; E166-W401 WeakPolarHBondContact O-CZ2 3.48Å; P168-W401 VanDerWaalsContact CB-O 3.25Å; P168-W401 WeakPolarHBondContact CB-O 3.49Å; P168-W401 HydrophobicContact CG-CD2 4.07Å; P168-W401 HydrophobicContact CG-CE3 4.4Å; P168-W401 HydrophobicContact CG-CH2 4.31Å; P168-W401 HydrophobicContact CG-CZ2 3.98Å; P168-W401 HydrophobicContact CG-CZ3 4.49Å; P168-W401 WeakPolarHBondContact CG-O 3.42Å; I171-W401 PolarHBondContact O-NE1 2.84Å; I173-W401 HydrophobicContact CB-CB 4.5Å; I173-W401 HydrophobicContact CB-CG 4.43Å; I173-W401 HydrophobicContact CG1-CB 4.14Å; I173-W401 HydrophobicContact CG1-CG 3.73Å; T186-W401 HydrophobicContact CG2-CE3 4.46Å; T186-W401 HydrophobicContact CG2-CZ3 4.01Å; T186-W401 WeakPolarHBondContact OG1-CH2 3.24Å; T186-W401 WeakPolarHBondContact OG1-CZ3 3.39Å; Y187-W401 HydrophobicContact CD1-CH2 4.46Å; Y187-W401 AromaticContact CE1-CH2 3.62Å; Y187-W401 HydrophobicContact CE1-CH2 3.62Å; Y187-W401 HydrophobicContact CE1-CZ3 4.18Å; Y187-W401 AromaticContact CZ-CH2 3.97Å; R188-W401 HydrophobicContact CG-CZ3 4.13Å; V397-W401 WeakPolarHBondContact O-CB 3.32Å; V397-W401 PolarHBondContact O-N 3.44Å; K399-W401 VanDerWaalsContact C-N 3.26Å; K399-W401 PolarHBondContact O-N 3Å; W401-D403 PolarHBondContact O-N 3.37Å; W401-G404 PolarHBondContact O-N 2.93Å
402N95.6Very high93.7Very high19 Ų1955.3 Ų55.310%0.10229%0.286CS..Hα-helixtrans-62.7-31.5-172.6-68.2-23.7000112.4R172 I173 S398 K399 G404R172-N402 WeakPolarHBondContact CA-OD1 3.41Å; R172-N402 PolarHBondContact NH2-ND2 2.96Å; I173-N402 PolarHBondContact N-OD1 2.81Å; I173-N402 PolarHBondContact O-ND2 3.32Å; I173-N402 PolarHBondContact O-OD1 3.41Å; S398-N402 WeakPolarHBondContact O-CB 3.37Å; S398-N402 PolarHBondContact O-N 3.05Å; S398-N402 PolarHBondContact O-ND2 2.82Å; K399-N402 PolarHBondContact O-N 3.21Å; N402-G404 VanDerWaalsContact C-N 3.28Å; N402-G404 PolarHBondContact O-N 3.35Å
403D95.8Very high93.8Very high76 Ų7658.1 Ų58.141%0.40631%0.307SS..THydrogen-bonded Turntrans-84.51.5176.9-65.4-7000112.7K399 W401 C405 V406K399-D403 WeakPolarHBondContact CE-OD2 2.77Å; K399-D403 WeakPolarHBondContact CG-OD2 3.41Å; K399-D403 WeakPolarHBondContact O-CB 3.3Å; K399-D403 PolarHBondContact O-N 2.96Å; W401-D403 PolarHBondContact O-N 3.37Å; D403-C405 PolarHBondContact O-N 2.73Å; D403-V406 HydrophobicContact CB-CB 4.45Å; D403-V406 HydrophobicContact CB-CG2 4Å; D403-V406 WeakPolarHBondContact O-CB 3.11Å; D403-V406 PolarHBondContact O-N 3.34Å
404G95.7Very high93.3Very high9 Ų959 Ų599%0.09331%0.306CS..THydrogen-bonded Turntrans-61.8-10.6-174.300000115.7R188 A293 W401 N402R188-G404 VanDerWaalsContact NH1-CA 3.35Å; A293-G404 PolarHBondContact N-O 3.5Å; W401-G404 PolarHBondContact O-N 2.93Å; N402-G404 VanDerWaalsContact C-N 3.28Å; N402-G404 PolarHBondContact O-N 3.35Å
405C96.7Very high91.8Very high16 Ų1666.1 Ų66.111%0.10834%0.343CS..THydrogen-bonded Turntrans-109.3-5.5175.6-46.30000113.3L169 L291 C292 D403L169-C405 HydrophobicContact CD1-CB 4.19Å; L169-C405 HydrophobicContact CG-CB 4.15Å; L291-C405 WeakPolarHBondContact O-CB 3.44Å; C292-C405 HydrophobicContact CB-CB 3.91Å; C292-C405 WeakPolarHBondContact CB-SG 3.48Å; C292-C405 WeakPolarHBondContact SG-CB 3.33Å; C292-C405 CovalentContact SG-SG 2.03Å; C292-C405 PolarHBondContact SG-SG 3.27Å; D403-C405 PolarHBondContact O-N 2.73Å
406V95.8Very high89.6Confident110 Ų11072.9 Ų72.967%0.66737%0.368SS*.THydrogen-bonded Turntrans-67137-177175.40000110D403 R408D403-V406 HydrophobicContact CB-CB 4.45Å; D403-V406 HydrophobicContact CB-CG2 4Å; D403-V406 WeakPolarHBondContact O-CB 3.11Å; D403-V406 PolarHBondContact O-N 3.34Å; V406-R408 VanDerWaalsContact C-N 3.27Å; V406-R408 PolarHBondContact O-N 2.59Å
407G92.9Very high89.5Confident69 Ų6972.6 Ų72.671%0.71137%0.365SS*.THydrogen-bonded Turntrans84-18.1175.300000115.4K409G407-K409 PolarHBondContact O-N 3.13Å
408R94.4Very high89.2Confident45 Ų4576.4 Ų76.417%0.1739%0.385CS..  trans-73.9115.4175.4178.864.4-177.9120.4-5110.6L291 G315 V316 H332 D334 V406L291-R408 HydrophobicContact CB-CB 4.23Å; L291-R408 HydrophobicContact CB-CG 3.6Å; G315-R408 PolarHBondContact O-NE 2.68Å; G315-R408 PolarHBondContact O-NH2 3.42Å; V316-R408 PolarHBondContact O-NE 2.69Å; V316-R408 PolarHBondContact O-NH2 3.47Å; H332-R408 PolarHBondContact CE1-NH2 3.43Å; D334-R408 IonicContact OD2-CZ 3.96Å; D334-R408 IonicContact OD2-NH1 3.32Å; D334-R408 PolarHBondContact OD2-NH1 3.1Å; D334-R408 IonicContact OD2-NH2 2.76Å; D334-R408 PolarHBondContact OD2-NH2 3.22Å; V406-R408 VanDerWaalsContact C-N 3.27Å; V406-R408 PolarHBondContact O-N 2.59Å
409K93.7Very high88.9Confident171 Ų17180.6 Ų80.674%0.74341%0.405SS*.  trans-132.7144.1172.1-61.4-179-178.4179.80109.6G407G407-K409 PolarHBondContact O-N 3.13Å
410I95.3Very high88.6Confident13 Ų1377.8 Ų77.87%0.06740%0.396CS..  trans-71.5156.3171.761.1170.4000110.6P240 Y244 L291 M314 V333 D334 W412P240-I410 HydrophobicContact CG-CD1 3.75Å; P240-I410 HydrophobicContact CG-CG1 4.19Å; Y244-I410 HydrophobicContact CD2-CD1 3.81Å; Y244-I410 HydrophobicContact CE2-CD1 4.25Å; L291-I410 HydrophobicContact CD1-CG2 4.06Å; L291-I410 HydrophobicContact CD2-CG2 4.41Å; M314-I410 HydrophobicContact CE-CD1 3.98Å; M314-I410 HydrophobicContact CG-CG2 4.06Å; V333-I410 HydrophobicContact CG2-CG2 4.15Å; D334-I410 WeakPolarHBondContact OD1-CA 3.21Å; D334-I410 WeakPolarHBondContact OD1-CB 3.37Å; I410-W412 VanDerWaalsContact C-N 3.31Å; I410-W412 HydrophobicContact CD1-CB 4.35Å; I410-W412 HydrophobicContact CD1-CE3 4.19Å; I410-W412 PolarHBondContact O-N 2.72Å
411R95.3Very high88.3Confident126 Ų12680.3 Ų80.348%0.47541%0.412SS..SBendtrans-63.5-36.6-179.5179.4177.5178.1-177.3-1.6112.6D334 E337 N413D334-R411 HydrophobicContact CB-CB 4.12Å; D334-R411 VanDerWaalsContact O-CD 3.26Å; D334-R411 WeakPolarHBondContact O-CD 3.4Å; D334-R411 PolarHBondContact OD1-N 3.38Å; E337-R411 VanDerWaalsContact CG-NH2 3.31Å; E337-R411 IonicContact OE1-NH2 2.73Å; R411-N413 PolarHBondContact O-N 2.68Å
412W95.2Very high87.8Confident37 Ų3785.7 Ų85.714%0.1444%0.44CS..  trans-70.8111.2-177.7178.658.3000110.9I243 Y244 E247 P339 I410 F414I243-W412 HydrophobicContact CG2-CH2 4.19Å; I243-W412 HydrophobicContact CG2-CZ3 4.24Å; Y244-W412 HydrophobicContact CD2-CD2 4.24Å; Y244-W412 AromaticContact CD2-CE3 3.44Å; Y244-W412 HydrophobicContact CD2-CE3 3.44Å; Y244-W412 VanDerWaalsContact CD2-CE3 3.44Å; Y244-W412 AromaticContact CD2-CZ3 3.87Å; Y244-W412 HydrophobicContact CD2-CZ3 3.87Å; Y244-W412 HydrophobicContact CE2-CB 4.19Å; Y244-W412 HydrophobicContact CE2-CD2 4.32Å; Y244-W412 AromaticContact CE2-CE3 3.95Å; Y244-W412 HydrophobicContact CE2-CE3 3.95Å; Y244-W412 HydrophobicContact CE2-CG 4.47Å; Y244-W412 HydrophobicContact CG-CE3 4.36Å; Y244-W412 HydrophobicContact CG-CZ3 4.36Å; E247-W412 HydrophobicContact CB-CH2 3.89Å; E247-W412 HydrophobicContact CB-CZ2 4.18Å; E247-W412 HydrophobicContact CG-CH2 3.79Å; E247-W412 HydrophobicContact CG-CZ2 3.8Å; P339-W412 HydrophobicContact CG-CD2 3.96Å; P339-W412 HydrophobicContact CG-CE3 4.24Å; P339-W412 HydrophobicContact CG-CG 4.46Å; P339-W412 HydrophobicContact CG-CH2 4.24Å; P339-W412 HydrophobicContact CG-CZ2 4.01Å; P339-W412 HydrophobicContact CG-CZ3 4.36Å; I410-W412 VanDerWaalsContact C-N 3.31Å; I410-W412 HydrophobicContact CD1-CB 4.35Å; I410-W412 HydrophobicContact CD1-CE3 4.19Å; I410-W412 PolarHBondContact O-N 2.72Å; W412-F414 HydrophobicContact CE3-CB 4.29Å; W412-F414 HydrophobicContact CE3-CD1 4.21Å; W412-F414 HydrophobicContact CH2-CB 3.76Å; W412-F414 HydrophobicContact CZ2-CB 3.92Å; W412-F414 HydrophobicContact CZ3-CB 3.95Å; W412-F414 HydrophobicContact CZ3-CD1 4.15Å; W412-F414 HydrophobicContact CZ3-CG 4.36Å
413N86.4Confident87.2Confident143 Ų14390.4 Ų90.477%0.76546%0.464SS*.  trans-83.7113.3171.5-70.1-32.4000109R411R411-N413 PolarHBondContact O-N 2.68Å
414F79.7Confident86.6Confident75 Ų7591.5 Ų91.533%0.32947%0.469SS..  trans-91.7124.416957.6-84.1000108.8P240 I243 W412 H416P240-F414 HydrophobicContact CB-CE1 4.08Å; I243-F414 HydrophobicContact CD1-CE2 4.27Å; W412-F414 HydrophobicContact CE3-CB 4.29Å; W412-F414 HydrophobicContact CE3-CD1 4.21Å; W412-F414 HydrophobicContact CH2-CB 3.76Å; W412-F414 HydrophobicContact CZ2-CB 3.92Å; W412-F414 HydrophobicContact CZ3-CB 3.95Å; W412-F414 HydrophobicContact CZ3-CD1 4.15Å; W412-F414 HydrophobicContact CZ3-CG 4.36Å; F414-H416 AromaticContact CD2-CE1 3.97Å; F414-H416 AromaticContact CE2-CE1 3.64Å; F414-H416 AromaticContact CE2-NE2 3.47Å; F414-H416 WeakPolarHBondContact CE2-NE2 3.29Å
415I60Low85.8Confident165 Ų16598.4 Ų98.485%0.84650%0.5SS*.  trans-88125.5165.3-58.1175.1000105.4
416H44.4Very low84.8Confident211 Ų211105.9 Ų105.998%0.97754%0.535SS*.  trans-640-179.6-87.1-58000112.8F414F414-H416 AromaticContact CD2-CE1 3.97Å; F414-H416 AromaticContact CE2-CE1 3.64Å; F414-H416 AromaticContact CE2-NE2 3.47Å; F414-H416 WeakPolarHBondContact CE2-NE2 3.29Å

Retrieved 416 of 416 residues in 83.8 ms (Link to these results)

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